[Swift-commit] r8266 - in SwiftApps/subjobs: . namd namd/input_files
ketan at ci.uchicago.edu
ketan at ci.uchicago.edu
Tue Oct 7 11:05:08 CDT 2014
Author: ketan
Date: 2014-10-07 11:05:07 -0500 (Tue, 07 Oct 2014)
New Revision: 8266
Added:
SwiftApps/subjobs/namd/
SwiftApps/subjobs/namd/apps
SwiftApps/subjobs/namd/cf
SwiftApps/subjobs/namd/cobalt.xml
SwiftApps/subjobs/namd/input_files/
SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.coor
SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.vel
SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.xsc
SwiftApps/subjobs/namd/input_files/h0_eq.conf
SwiftApps/subjobs/namd/input_files/h0_solvion.pdb
SwiftApps/subjobs/namd/input_files/h0_solvion.psf
SwiftApps/subjobs/namd/input_files/par_all22_prot.inp
SwiftApps/subjobs/namd/namd.swift
SwiftApps/subjobs/namd/runswift.sh
Modified:
SwiftApps/subjobs/bg.sh
Log:
adding namd
Modified: SwiftApps/subjobs/bg.sh
===================================================================
--- SwiftApps/subjobs/bg.sh 2014-10-07 13:11:07 UTC (rev 8265)
+++ SwiftApps/subjobs/bg.sh 2014-10-07 16:05:07 UTC (rev 8266)
@@ -25,8 +25,8 @@
esac
-if [ "$SUBBLOCK_SIZE"_ != "_" ] then
-
+if [ "$SUBBLOCK_SIZE"_ != "_" ]
+then
export SWIFT_SUBBLOCKS=$(get-corners.py "$COBALT_PARTNAME" $SHAPE)
export SWIFT_SUBBLOCK_ARRAY=($SWIFT_SUBBLOCKS)
Added: SwiftApps/subjobs/namd/apps
===================================================================
--- SwiftApps/subjobs/namd/apps (rev 0)
+++ SwiftApps/subjobs/namd/apps 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,3 @@
+localhost cat /bin/cat null null null
+cluster bgsh /home/ketan/SwiftApps/subjobs/bg.sh null null null
+
Added: SwiftApps/subjobs/namd/cf
===================================================================
--- SwiftApps/subjobs/namd/cf (rev 0)
+++ SwiftApps/subjobs/namd/cf 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,6 @@
+use.provider.staging=false
+wrapperlog.always.transfer=false
+execution.retries=0
+provider.staging.pin.swiftfiles=false
+sitedir.keep=false
+use.wrapper.staging=false
Added: SwiftApps/subjobs/namd/cobalt.xml
===================================================================
--- SwiftApps/subjobs/namd/cobalt.xml (rev 0)
+++ SwiftApps/subjobs/namd/cobalt.xml 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,30 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<config xmlns="http://www.ci.uchicago.edu/swift/SwiftSites">
+
+<pool handle="cluster">
+<execution provider="coaster" jobmanager="local:cobalt" />
+
+<profile namespace="globus" key="slots">2</profile>
+<profile namespace="globus" key="mode">script</profile>
+
+<profile namespace="karajan" key="jobThrottle">2.99</profile>
+<profile namespace="karajan" key="initialScore">10000</profile>
+<profile namespace="globus" key="maxwalltime">00:40:00</profile>
+<profile namespace="globus" key="walltime">2050</profile>
+
+<profile namespace="globus" key="maxnodes">512</profile>
+<profile namespace="globus" key="nodegranularity">512</profile>
+<profile key="SUBBLOCK_SIZE" namespace="env">8</profile>
+<profile key="WORKER_LOGGING_LEVEL" namespace="env">DEBUG</profile>
+<profile key="ENABLE_WORKER_LOGGING" namespace="env">TRUE</profile>
+<profile key="ENABLE_WORKER_LOGGING" namespace="env">ON</profile>
+<profile key="WORKER_LOG_DIR" namespace="env">/home/ketan/workerlogs</profile>
+<profile namespace="globus" key="workerLoggingLevel">DEBUG</profile>
+<profile namespace="globus" key="workerLoggingDirectory">/home/ketan/workerlogs</profile>
+<profile namespace="globus" key="jobsPerNode">64</profile>
+
+<workdirectory>/home/ketan/swiftwork</workdirectory>
+<filesystem provider="local"/>
+
+</pool>
+</config>
Added: SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.coor
===================================================================
(Binary files differ)
Property changes on: SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.coor
___________________________________________________________________
Added: svn:mime-type
+ application/octet-stream
Added: SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.vel
===================================================================
(Binary files differ)
Property changes on: SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.vel
___________________________________________________________________
Added: svn:mime-type
+ application/octet-stream
Added: SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.xsc
===================================================================
--- SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.xsc (rev 0)
+++ SwiftApps/subjobs/namd/input_files/h0_eq.0.restart.xsc 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,3 @@
+# NAMD extended system configuration restart file
+#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z s_x s_y s_z s_u s_v s_w
+420000 44.1952 0 0 0 62.4498 0 0 0 45.156 0 0 0 -5.46818e-07 -5.46818e-07 -5.46818e-07 0 0 0
Added: SwiftApps/subjobs/namd/input_files/h0_eq.conf
===================================================================
--- SwiftApps/subjobs/namd/input_files/h0_eq.conf (rev 0)
+++ SwiftApps/subjobs/namd/input_files/h0_eq.conf 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,107 @@
+############################################################
+## JOB DESCRIPTION ##
+#############################################################
+
+# Minimization and equilibration of waters with
+# protein held fixed to reduce artifacts
+
+#############################################################
+## ADJUSTABLE PARAMETERS ##
+#############################################################
+
+structure h0_solvion.psf
+coordinates h0_solvion.pdb
+
+#############################################################
+# Output Names ##
+#############################################################
+set basename h0_eq._JOB_
+outputName $basename
+DCDfile $basename.dcd
+restartname $basename.restart
+
+# Initial temperature
+set temperature 310
+
+# Continuing a job from the restart files
+if {1} {
+set inputname h0_eq.0
+binCoordinates $inputname.restart.coor
+binVelocities $inputname.restart.vel
+extendedSystem $inputname.restart.xsc
+}
+
+firsttimestep 0
+
+#############################################################
+## SIMULATION PARAMETERS ##
+#############################################################
+
+# Input
+paraTypeCharmm on
+parameters par_all22_prot.inp
+
+# Periodic Boundary Conditions from extended system cell (.xsc)
+wrapWater on
+wrapAll on
+
+
+# Force-Field Parameters
+exclude scaled1-4
+1-4scaling 1.0
+cutoff 12.0
+switching on
+switchdist 10.0
+pairlistdist 13.5
+
+# Integrator Parameters
+timestep 2.0 ;# 2fs/step
+rigidBonds all ;# needed for 2fs steps
+nonbondedFreq 2
+fullElectFrequency 2
+stepspercycle 20
+
+PME yes
+PMEPencils 0
+PMETolerance 1.0e-6
+PMEInterpOrder 4
+PMEGridSpacing 1.0
+
+# Constant Temperature Control
+langevin on ;# do langevin dynamics
+langevinDamping .5 ;# damping coefficient (gamma) of 5/ps
+langevinTemp $temperature
+langevinHydrogen off
+
+# Constant Pressure Control (variable volume)
+if {0} {
+useGroupPressure yes ;# needed for 2fs steps
+useFlexibleCell no ;# no for water box, yes for membrane
+useConstantArea no ;# no for water box, yes for membrane
+
+langevinPiston on
+langevinPistonTarget 1.01325 ;# in bar -> 1 atm
+langevinPistonPeriod 2000.0
+langevinPistonDecay 2000.0
+langevinPistonTemp $temperature
+}
+
+restartfreq 20 ;# 1000steps = every 2ps
+dcdfreq 20
+xstFreq 20
+outputEnergies 20
+outputPressure 20
+
+
+#############################################################
+## EXTRA PARAMETERS ##
+#############################################################
+
+# Put here any custom parameters that are specific to
+# this job (e.g., SMD, TclForces, etc...)
+
+#############################################################
+## EXECUTION SCRIPT ##
+#############################################################
+
+run 5000
Added: SwiftApps/subjobs/namd/input_files/h0_solvion.pdb
===================================================================
--- SwiftApps/subjobs/namd/input_files/h0_solvion.pdb (rev 0)
+++ SwiftApps/subjobs/namd/input_files/h0_solvion.pdb 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,12498 @@
+CRYST1 45.123 64.578 46.400 90.00 90.00 90.00 P 1 1
+ATOM 1 N MET P 1 -5.502 -13.586 4.774 1.00 0.00 P1 N
+ATOM 2 HT1 MET P 1 -6.279 -12.923 4.968 1.00 0.00 P1 H
+ATOM 3 HT2 MET P 1 -5.586 -14.461 5.329 1.00 0.00 P1 H
+ATOM 4 HT3 MET P 1 -4.666 -13.182 5.243 1.00 0.00 P1 H
+ATOM 5 CA MET P 1 -5.442 -13.757 3.329 1.00 0.00 P1 C
+ATOM 6 HA MET P 1 -6.160 -14.442 2.906 1.00 0.00 P1 H
+ATOM 7 CB MET P 1 -5.472 -12.304 2.616 1.00 0.00 P1 C
+ATOM 8 HB1 MET P 1 -5.694 -12.418 1.534 1.00 0.00 P1 H
+ATOM 9 HB2 MET P 1 -6.379 -11.827 3.044 1.00 0.00 P1 H
+ATOM 10 CG MET P 1 -4.206 -11.438 2.906 1.00 0.00 P1 C
+ATOM 11 HG1 MET P 1 -3.939 -11.713 3.949 1.00 0.00 P1 H
+ATOM 12 HG2 MET P 1 -3.424 -11.757 2.185 1.00 0.00 P1 H
+ATOM 13 SD MET P 1 -4.559 -9.767 2.738 1.00 0.00 P1 S
+ATOM 14 CE MET P 1 -5.217 -9.419 4.397 1.00 0.00 P1 C
+ATOM 15 HE1 MET P 1 -4.449 -8.884 4.995 1.00 0.00 P1 H
+ATOM 16 HE2 MET P 1 -6.244 -8.994 4.375 1.00 0.00 P1 H
+ATOM 17 HE3 MET P 1 -5.423 -10.274 5.075 1.00 0.00 P1 H
+ATOM 18 C MET P 1 -4.206 -14.543 2.935 1.00 0.00 P1 C
+ATOM 19 O MET P 1 -3.386 -14.967 3.768 1.00 0.00 P1 O
+ATOM 20 N SER P 2 -3.963 -14.797 1.645 1.00 0.00 P1 N
+ATOM 21 HN SER P 2 -4.653 -14.639 0.943 1.00 0.00 P1 H
+ATOM 22 CA SER P 2 -2.668 -15.281 1.125 1.00 0.00 P1 C
+ATOM 23 HA SER P 2 -2.524 -16.273 1.528 1.00 0.00 P1 H
+ATOM 24 CB SER P 2 -2.743 -15.566 -0.426 1.00 0.00 P1 C
+ATOM 25 HB1 SER P 2 -1.903 -16.247 -0.682 1.00 0.00 P1 H
+ATOM 26 HB2 SER P 2 -3.609 -16.241 -0.597 1.00 0.00 P1 H
+ATOM 27 OG SER P 2 -2.829 -14.408 -1.272 1.00 0.00 P1 O
+ATOM 28 HG1 SER P 2 -2.816 -14.716 -2.180 1.00 0.00 P1 H
+ATOM 29 C SER P 2 -1.380 -14.550 1.590 1.00 0.00 P1 C
+ATOM 30 O SER P 2 -1.538 -13.383 1.895 1.00 0.00 P1 O
+ATOM 31 N VAL P 3 -0.191 -15.178 1.570 1.00 0.00 P1 N
+ATOM 32 HN VAL P 3 -0.253 -16.148 1.348 1.00 0.00 P1 H
+ATOM 33 CA VAL P 3 1.099 -14.602 1.716 1.00 0.00 P1 C
+ATOM 34 HA VAL P 3 1.121 -14.149 2.697 1.00 0.00 P1 H
+ATOM 35 CB VAL P 3 2.225 -15.633 1.734 1.00 0.00 P1 C
+ATOM 36 HB VAL P 3 2.167 -16.168 0.761 1.00 0.00 P1 H
+ATOM 37 CG1 VAL P 3 3.596 -14.949 1.850 1.00 0.00 P1 C
+ATOM 38 HG11 VAL P 3 4.400 -15.712 1.931 1.00 0.00 P1 H
+ATOM 39 HG12 VAL P 3 3.793 -14.257 1.004 1.00 0.00 P1 H
+ATOM 40 HG13 VAL P 3 3.695 -14.356 2.784 1.00 0.00 P1 H
+ATOM 41 CG2 VAL P 3 2.017 -16.532 2.914 1.00 0.00 P1 C
+ATOM 42 HG21 VAL P 3 2.300 -15.947 3.815 1.00 0.00 P1 H
+ATOM 43 HG22 VAL P 3 1.032 -17.044 2.963 1.00 0.00 P1 H
+ATOM 44 HG23 VAL P 3 2.666 -17.407 3.131 1.00 0.00 P1 H
+ATOM 45 C VAL P 3 1.472 -13.486 0.755 1.00 0.00 P1 C
+ATOM 46 O VAL P 3 1.738 -12.339 1.174 1.00 0.00 P1 O
+ATOM 47 N ALA P 4 1.301 -13.668 -0.603 1.00 0.00 P1 N
+ATOM 48 HN ALA P 4 1.167 -14.601 -0.928 1.00 0.00 P1 H
+ATOM 49 CA ALA P 4 1.419 -12.704 -1.695 1.00 0.00 P1 C
+ATOM 50 HA ALA P 4 2.338 -12.173 -1.491 1.00 0.00 P1 H
+ATOM 51 CB ALA P 4 1.620 -13.354 -3.086 1.00 0.00 P1 C
+ATOM 52 HB1 ALA P 4 1.577 -12.547 -3.849 1.00 0.00 P1 H
+ATOM 53 HB2 ALA P 4 2.666 -13.719 -3.163 1.00 0.00 P1 H
+ATOM 54 HB3 ALA P 4 0.945 -14.189 -3.376 1.00 0.00 P1 H
+ATOM 55 C ALA P 4 0.323 -11.649 -1.680 1.00 0.00 P1 C
+ATOM 56 O ALA P 4 0.618 -10.484 -1.958 1.00 0.00 P1 O
+ATOM 57 N GLY P 5 -0.985 -11.950 -1.330 1.00 0.00 P1 N
+ATOM 58 HN GLY P 5 -1.137 -12.935 -1.371 1.00 0.00 P1 H
+ATOM 59 CA GLY P 5 -2.145 -11.021 -1.230 1.00 0.00 P1 C
+ATOM 60 HA1 GLY P 5 -3.107 -11.510 -1.207 1.00 0.00 P1 H
+ATOM 61 HA2 GLY P 5 -2.077 -10.411 -2.119 1.00 0.00 P1 H
+ATOM 62 C GLY P 5 -2.028 -10.102 -0.010 1.00 0.00 P1 C
+ATOM 63 O GLY P 5 -2.339 -8.940 -0.111 1.00 0.00 P1 O
+ATOM 64 N LEU P 6 -1.378 -10.596 1.107 1.00 0.00 P1 N
+ATOM 65 HN LEU P 6 -1.160 -11.568 1.137 1.00 0.00 P1 H
+ATOM 66 CA LEU P 6 -1.039 -9.699 2.231 1.00 0.00 P1 C
+ATOM 67 HA LEU P 6 -1.923 -9.108 2.421 1.00 0.00 P1 H
+ATOM 68 CB LEU P 6 -0.719 -10.761 3.454 1.00 0.00 P1 C
+ATOM 69 HB1 LEU P 6 -1.615 -11.362 3.717 1.00 0.00 P1 H
+ATOM 70 HB2 LEU P 6 0.011 -11.501 3.064 1.00 0.00 P1 H
+ATOM 71 CG LEU P 6 -0.149 -10.086 4.710 1.00 0.00 P1 C
+ATOM 72 HG LEU P 6 0.693 -9.484 4.306 1.00 0.00 P1 H
+ATOM 73 CD1 LEU P 6 -1.161 -9.156 5.318 1.00 0.00 P1 C
+ATOM 74 HD11 LEU P 6 -1.020 -8.974 6.404 1.00 0.00 P1 H
+ATOM 75 HD12 LEU P 6 -0.983 -8.154 4.874 1.00 0.00 P1 H
+ATOM 76 HD13 LEU P 6 -2.120 -9.595 4.968 1.00 0.00 P1 H
+ATOM 77 CD2 LEU P 6 0.264 -11.162 5.718 1.00 0.00 P1 C
+ATOM 78 HD21 LEU P 6 1.059 -11.715 5.174 1.00 0.00 P1 H
+ATOM 79 HD22 LEU P 6 0.758 -10.754 6.626 1.00 0.00 P1 H
+ATOM 80 HD23 LEU P 6 -0.452 -11.875 6.179 1.00 0.00 P1 H
+ATOM 81 C LEU P 6 0.115 -8.697 1.938 1.00 0.00 P1 C
+ATOM 82 O LEU P 6 0.067 -7.531 2.337 1.00 0.00 P1 O
+ATOM 83 N LYS P 7 1.152 -9.198 1.263 1.00 0.00 P1 N
+ATOM 84 HN LYS P 7 1.134 -10.165 1.018 1.00 0.00 P1 H
+ATOM 85 CA LYS P 7 2.122 -8.222 0.826 1.00 0.00 P1 C
+ATOM 86 HA LYS P 7 2.473 -7.651 1.673 1.00 0.00 P1 H
+ATOM 87 CB LYS P 7 3.306 -8.952 0.139 1.00 0.00 P1 C
+ATOM 88 HB1 LYS P 7 3.104 -9.579 -0.756 1.00 0.00 P1 H
+ATOM 89 HB2 LYS P 7 3.988 -8.150 -0.215 1.00 0.00 P1 H
+ATOM 90 CG LYS P 7 4.230 -9.726 1.155 1.00 0.00 P1 C
+ATOM 91 HG1 LYS P 7 4.614 -8.973 1.876 1.00 0.00 P1 H
+ATOM 92 HG2 LYS P 7 3.620 -10.445 1.741 1.00 0.00 P1 H
+ATOM 93 CD LYS P 7 5.286 -10.461 0.425 1.00 0.00 P1 C
+ATOM 94 HD1 LYS P 7 4.770 -10.928 -0.441 1.00 0.00 P1 H
+ATOM 95 HD2 LYS P 7 6.076 -9.723 0.173 1.00 0.00 P1 H
+ATOM 96 CE LYS P 7 5.772 -11.599 1.297 1.00 0.00 P1 C
+ATOM 97 HE1 LYS P 7 6.248 -11.303 2.257 1.00 0.00 P1 H
+ATOM 98 HE2 LYS P 7 5.039 -12.351 1.659 1.00 0.00 P1 H
+ATOM 99 NZ LYS P 7 6.815 -12.277 0.489 1.00 0.00 P1 N
+ATOM 100 HZ1 LYS P 7 7.198 -12.955 1.179 1.00 0.00 P1 H
+ATOM 101 HZ2 LYS P 7 6.424 -12.760 -0.343 1.00 0.00 P1 H
+ATOM 102 HZ3 LYS P 7 7.537 -11.637 0.102 1.00 0.00 P1 H
+ATOM 103 C LYS P 7 1.583 -7.289 -0.243 1.00 0.00 P1 C
+ATOM 104 O LYS P 7 1.861 -6.147 -0.146 1.00 0.00 P1 O
+ATOM 105 N LYS P 8 0.795 -7.709 -1.207 1.00 0.00 P1 N
+ATOM 106 HN LYS P 8 0.585 -8.674 -1.342 1.00 0.00 P1 H
+ATOM 107 CA LYS P 8 0.033 -6.883 -2.157 1.00 0.00 P1 C
+ATOM 108 HA LYS P 8 0.632 -6.349 -2.879 1.00 0.00 P1 H
+ATOM 109 CB LYS P 8 -0.847 -7.895 -3.062 1.00 0.00 P1 C
+ATOM 110 HB1 LYS P 8 -0.170 -8.656 -3.506 1.00 0.00 P1 H
+ATOM 111 HB2 LYS P 8 -1.537 -8.497 -2.432 1.00 0.00 P1 H
+ATOM 112 CG LYS P 8 -1.622 -7.161 -4.171 1.00 0.00 P1 C
+ATOM 113 HG1 LYS P 8 -2.472 -6.621 -3.702 1.00 0.00 P1 H
+ATOM 114 HG2 LYS P 8 -1.020 -6.423 -4.740 1.00 0.00 P1 H
+ATOM 115 CD LYS P 8 -2.198 -8.200 -5.177 1.00 0.00 P1 C
+ATOM 116 HD1 LYS P 8 -1.332 -8.763 -5.588 1.00 0.00 P1 H
+ATOM 117 HD2 LYS P 8 -2.910 -8.891 -4.677 1.00 0.00 P1 H
+ATOM 118 CE LYS P 8 -2.851 -7.388 -6.321 1.00 0.00 P1 C
+ATOM 119 HE1 LYS P 8 -3.834 -6.952 -6.041 1.00 0.00 P1 H
+ATOM 120 HE2 LYS P 8 -2.292 -6.626 -6.908 1.00 0.00 P1 H
+ATOM 121 NZ LYS P 8 -3.262 -8.374 -7.346 1.00 0.00 P1 N
+ATOM 122 HZ1 LYS P 8 -4.068 -9.017 -7.209 1.00 0.00 P1 H
+ATOM 123 HZ2 LYS P 8 -3.500 -7.821 -8.194 1.00 0.00 P1 H
+ATOM 124 HZ3 LYS P 8 -2.449 -8.945 -7.653 1.00 0.00 P1 H
+ATOM 125 C LYS P 8 -0.810 -5.764 -1.463 1.00 0.00 P1 C
+ATOM 126 O LYS P 8 -0.952 -4.621 -1.906 1.00 0.00 P1 O
+ATOM 127 N GLN P 9 -1.444 -6.117 -0.310 1.00 0.00 P1 N
+ATOM 128 HN GLN P 9 -1.528 -7.032 0.075 1.00 0.00 P1 H
+ATOM 129 CA GLN P 9 -2.212 -5.109 0.438 1.00 0.00 P1 C
+ATOM 130 HA GLN P 9 -2.778 -4.536 -0.281 1.00 0.00 P1 H
+ATOM 131 CB GLN P 9 -3.230 -5.864 1.385 1.00 0.00 P1 C
+ATOM 132 HB1 GLN P 9 -3.673 -6.804 0.995 1.00 0.00 P1 H
+ATOM 133 HB2 GLN P 9 -2.714 -6.298 2.267 1.00 0.00 P1 H
+ATOM 134 CG GLN P 9 -4.427 -4.905 1.738 1.00 0.00 P1 C
+ATOM 135 HG1 GLN P 9 -4.001 -4.168 2.451 1.00 0.00 P1 H
+ATOM 136 HG2 GLN P 9 -4.826 -4.437 0.812 1.00 0.00 P1 H
+ATOM 137 CD GLN P 9 -5.395 -5.677 2.609 1.00 0.00 P1 C
+ATOM 138 OE1 GLN P 9 -6.388 -6.081 1.958 1.00 0.00 P1 O
+ATOM 139 NE2 GLN P 9 -5.177 -5.779 3.913 1.00 0.00 P1 N
+ATOM 140 HE21 GLN P 9 -5.852 -6.300 4.436 1.00 0.00 P1 H
+ATOM 141 HE22 GLN P 9 -4.396 -5.318 4.333 1.00 0.00 P1 H
+ATOM 142 C GLN P 9 -1.386 -4.067 1.182 1.00 0.00 P1 C
+ATOM 143 O GLN P 9 -1.680 -2.858 1.275 1.00 0.00 P1 O
+ATOM 144 N PHE P 10 -0.274 -4.510 1.762 1.00 0.00 P1 N
+ATOM 145 HN PHE P 10 -0.165 -5.484 1.940 1.00 0.00 P1 H
+ATOM 146 CA PHE P 10 0.821 -3.634 2.238 1.00 0.00 P1 C
+ATOM 147 HA PHE P 10 0.355 -2.998 2.975 1.00 0.00 P1 H
+ATOM 148 CB PHE P 10 1.975 -4.494 2.869 1.00 0.00 P1 C
+ATOM 149 HB1 PHE P 10 1.881 -5.478 2.360 1.00 0.00 P1 H
+ATOM 150 HB2 PHE P 10 2.969 -4.079 2.597 1.00 0.00 P1 H
+ATOM 151 CG PHE P 10 1.911 -4.537 4.346 1.00 0.00 P1 C
+ATOM 152 CD1 PHE P 10 1.222 -5.688 4.959 1.00 0.00 P1 C
+ATOM 153 HD1 PHE P 10 0.756 -6.432 4.329 1.00 0.00 P1 H
+ATOM 154 CE1 PHE P 10 1.176 -5.889 6.303 1.00 0.00 P1 C
+ATOM 155 HE1 PHE P 10 0.701 -6.754 6.742 1.00 0.00 P1 H
+ATOM 156 CZ PHE P 10 1.689 -4.900 7.131 1.00 0.00 P1 C
+ATOM 157 HZ PHE P 10 1.631 -4.988 8.206 1.00 0.00 P1 H
+ATOM 158 CD2 PHE P 10 2.549 -3.647 5.265 1.00 0.00 P1 C
+ATOM 159 HD2 PHE P 10 3.183 -2.835 4.941 1.00 0.00 P1 H
+ATOM 160 CE2 PHE P 10 2.440 -3.857 6.683 1.00 0.00 P1 C
+ATOM 161 HE2 PHE P 10 2.948 -3.142 7.312 1.00 0.00 P1 H
+ATOM 162 C PHE P 10 1.458 -2.681 1.204 1.00 0.00 P1 C
+ATOM 163 O PHE P 10 1.682 -1.519 1.507 1.00 0.00 P1 O
+ATOM 164 N HSD P 11 1.667 -3.164 -0.040 1.00 0.00 P1 N
+ATOM 165 HN HSD P 11 1.372 -4.087 -0.274 1.00 0.00 P1 H
+ATOM 166 CA HSD P 11 2.186 -2.380 -1.153 1.00 0.00 P1 C
+ATOM 167 HA HSD P 11 3.167 -1.967 -0.966 1.00 0.00 P1 H
+ATOM 168 CB HSD P 11 2.335 -3.436 -2.282 1.00 0.00 P1 C
+ATOM 169 HB1 HSD P 11 3.405 -3.735 -2.322 1.00 0.00 P1 H
+ATOM 170 HB2 HSD P 11 1.733 -4.359 -2.133 1.00 0.00 P1 H
+ATOM 171 ND1 HSD P 11 2.802 -2.053 -4.407 1.00 0.00 P1 N
+ATOM 172 HD1 HSD P 11 3.571 -1.465 -4.156 1.00 0.00 P1 H
+ATOM 173 CG HSD P 11 2.072 -2.978 -3.685 1.00 0.00 P1 C
+ATOM 174 CE1 HSD P 11 2.114 -1.931 -5.576 1.00 0.00 P1 C
+ATOM 175 HE1 HSD P 11 2.389 -1.180 -6.317 1.00 0.00 P1 H
+ATOM 176 NE2 HSD P 11 1.032 -2.671 -5.608 1.00 0.00 P1 N
+ATOM 177 CD2 HSD P 11 1.006 -3.368 -4.400 1.00 0.00 P1 C
+ATOM 178 HD2 HSD P 11 0.265 -4.123 -4.166 1.00 0.00 P1 H
+ATOM 179 C HSD P 11 1.224 -1.266 -1.463 1.00 0.00 P1 C
+ATOM 180 O HSD P 11 1.692 -0.139 -1.778 1.00 0.00 P1 O
+ATOM 181 N LYS P 12 -0.099 -1.606 -1.537 1.00 0.00 P1 N
+ATOM 182 HN LYS P 12 -0.537 -2.484 -1.362 1.00 0.00 P1 H
+ATOM 183 CA LYS P 12 -1.063 -0.686 -2.020 1.00 0.00 P1 C
+ATOM 184 HA LYS P 12 -0.610 -0.246 -2.897 1.00 0.00 P1 H
+ATOM 185 CB LYS P 12 -2.410 -1.365 -2.314 1.00 0.00 P1 C
+ATOM 186 HB1 LYS P 12 -2.633 -2.209 -1.626 1.00 0.00 P1 H
+ATOM 187 HB2 LYS P 12 -3.203 -0.597 -2.185 1.00 0.00 P1 H
+ATOM 188 CG LYS P 12 -2.465 -1.976 -3.754 1.00 0.00 P1 C
+ATOM 189 HG1 LYS P 12 -2.670 -1.124 -4.438 1.00 0.00 P1 H
+ATOM 190 HG2 LYS P 12 -1.501 -2.522 -3.841 1.00 0.00 P1 H
+ATOM 191 CD LYS P 12 -3.657 -2.899 -4.051 1.00 0.00 P1 C
+ATOM 192 HD1 LYS P 12 -3.608 -3.597 -3.188 1.00 0.00 P1 H
+ATOM 193 HD2 LYS P 12 -4.629 -2.364 -3.987 1.00 0.00 P1 H
+ATOM 194 CE LYS P 12 -3.406 -3.819 -5.280 1.00 0.00 P1 C
+ATOM 195 HE1 LYS P 12 -2.344 -4.106 -5.432 1.00 0.00 P1 H
+ATOM 196 HE2 LYS P 12 -4.178 -4.592 -5.484 1.00 0.00 P1 H
+ATOM 197 NZ LYS P 12 -3.552 -2.956 -6.464 1.00 0.00 P1 N
+ATOM 198 HZ1 LYS P 12 -2.797 -2.241 -6.477 1.00 0.00 P1 H
+ATOM 199 HZ2 LYS P 12 -3.374 -3.533 -7.311 1.00 0.00 P1 H
+ATOM 200 HZ3 LYS P 12 -4.457 -2.450 -6.543 1.00 0.00 P1 H
+ATOM 201 C LYS P 12 -1.226 0.520 -1.131 1.00 0.00 P1 C
+ATOM 202 O LYS P 12 -1.322 1.667 -1.638 1.00 0.00 P1 O
+ATOM 203 N ALA P 13 -1.268 0.248 0.248 1.00 0.00 P1 N
+ATOM 204 HN ALA P 13 -1.191 -0.704 0.534 1.00 0.00 P1 H
+ATOM 205 CA ALA P 13 -1.285 1.165 1.390 1.00 0.00 P1 C
+ATOM 206 HA ALA P 13 -2.214 1.693 1.241 1.00 0.00 P1 H
+ATOM 207 CB ALA P 13 -1.097 0.304 2.630 1.00 0.00 P1 C
+ATOM 208 HB1 ALA P 13 -0.237 -0.399 2.622 1.00 0.00 P1 H
+ATOM 209 HB2 ALA P 13 -1.170 1.021 3.476 1.00 0.00 P1 H
+ATOM 210 HB3 ALA P 13 -1.898 -0.404 2.932 1.00 0.00 P1 H
+ATOM 211 C ALA P 13 -0.153 2.216 1.312 1.00 0.00 P1 C
+ATOM 212 O ALA P 13 -0.399 3.446 1.296 1.00 0.00 P1 O
+ATOM 213 N THR P 14 1.111 1.701 1.377 1.00 0.00 P1 N
+ATOM 214 HN THR P 14 1.294 0.741 1.579 1.00 0.00 P1 H
+ATOM 215 CA THR P 14 2.268 2.562 1.205 1.00 0.00 P1 C
+ATOM 216 HA THR P 14 2.218 3.213 2.065 1.00 0.00 P1 H
+ATOM 217 CB THR P 14 3.580 1.868 1.349 1.00 0.00 P1 C
+ATOM 218 HB THR P 14 4.360 2.651 1.240 1.00 0.00 P1 H
+ATOM 219 OG1 THR P 14 3.843 0.769 0.549 1.00 0.00 P1 O
+ATOM 220 HG1 THR P 14 3.203 0.100 0.802 1.00 0.00 P1 H
+ATOM 221 CG2 THR P 14 3.758 1.391 2.785 1.00 0.00 P1 C
+ATOM 222 HG21 THR P 14 3.086 0.524 2.958 1.00 0.00 P1 H
+ATOM 223 HG22 THR P 14 4.781 0.976 2.918 1.00 0.00 P1 H
+ATOM 224 HG23 THR P 14 3.477 2.169 3.526 1.00 0.00 P1 H
+ATOM 225 C THR P 14 2.406 3.403 -0.140 1.00 0.00 P1 C
+ATOM 226 O THR P 14 2.773 4.567 -0.084 1.00 0.00 P1 O
+ATOM 227 N GLN P 15 1.911 2.903 -1.229 1.00 0.00 P1 N
+ATOM 228 HN GLN P 15 1.558 1.970 -1.242 1.00 0.00 P1 H
+ATOM 229 CA GLN P 15 1.762 3.603 -2.538 1.00 0.00 P1 C
+ATOM 230 HA GLN P 15 2.676 4.135 -2.754 1.00 0.00 P1 H
+ATOM 231 CB GLN P 15 1.323 2.455 -3.553 1.00 0.00 P1 C
+ATOM 232 HB1 GLN P 15 2.100 1.662 -3.505 1.00 0.00 P1 H
+ATOM 233 HB2 GLN P 15 0.383 2.007 -3.164 1.00 0.00 P1 H
+ATOM 234 CG GLN P 15 0.930 3.061 -4.880 1.00 0.00 P1 C
+ATOM 235 HG1 GLN P 15 0.026 3.694 -4.758 1.00 0.00 P1 H
+ATOM 236 HG2 GLN P 15 1.830 3.630 -5.198 1.00 0.00 P1 H
+ATOM 237 CD GLN P 15 0.595 2.056 -5.968 1.00 0.00 P1 C
+ATOM 238 OE1 GLN P 15 0.083 0.953 -5.730 1.00 0.00 P1 O
+ATOM 239 NE2 GLN P 15 0.804 2.482 -7.241 1.00 0.00 P1 N
+ATOM 240 HE21 GLN P 15 1.355 3.309 -7.351 1.00 0.00 P1 H
+ATOM 241 HE22 GLN P 15 0.922 1.719 -7.876 1.00 0.00 P1 H
+ATOM 242 C GLN P 15 0.760 4.744 -2.456 1.00 0.00 P1 C
+ATOM 243 O GLN P 15 1.024 5.874 -3.006 1.00 0.00 P1 O
+ATOM 244 N LYS P 16 -0.374 4.481 -1.872 1.00 0.00 P1 N
+ATOM 245 HN LYS P 16 -0.478 3.537 -1.569 1.00 0.00 P1 H
+ATOM 246 CA LYS P 16 -1.397 5.428 -1.491 1.00 0.00 P1 C
+ATOM 247 HA LYS P 16 -1.785 6.014 -2.311 1.00 0.00 P1 H
+ATOM 248 CB LYS P 16 -2.755 4.704 -0.907 1.00 0.00 P1 C
+ATOM 249 HB1 LYS P 16 -2.493 3.997 -0.091 1.00 0.00 P1 H
+ATOM 250 HB2 LYS P 16 -3.333 5.478 -0.358 1.00 0.00 P1 H
+ATOM 251 CG LYS P 16 -3.661 4.003 -1.971 1.00 0.00 P1 C
+ATOM 252 HG1 LYS P 16 -4.057 4.738 -2.704 1.00 0.00 P1 H
+ATOM 253 HG2 LYS P 16 -3.027 3.421 -2.674 1.00 0.00 P1 H
+ATOM 254 CD LYS P 16 -4.731 3.232 -1.204 1.00 0.00 P1 C
+ATOM 255 HD1 LYS P 16 -4.274 2.341 -0.724 1.00 0.00 P1 H
+ATOM 256 HD2 LYS P 16 -5.150 3.761 -0.321 1.00 0.00 P1 H
+ATOM 257 CE LYS P 16 -5.826 2.648 -2.141 1.00 0.00 P1 C
+ATOM 258 HE1 LYS P 16 -6.333 3.537 -2.574 1.00 0.00 P1 H
+ATOM 259 HE2 LYS P 16 -5.447 1.938 -2.906 1.00 0.00 P1 H
+ATOM 260 NZ LYS P 16 -6.809 1.955 -1.314 1.00 0.00 P1 N
+ATOM 261 HZ1 LYS P 16 -7.586 1.656 -1.938 1.00 0.00 P1 H
+ATOM 262 HZ2 LYS P 16 -6.363 1.111 -0.904 1.00 0.00 P1 H
+ATOM 263 HZ3 LYS P 16 -7.250 2.540 -0.575 1.00 0.00 P1 H
+ATOM 264 C LYS P 16 -1.070 6.543 -0.575 1.00 0.00 P1 C
+ATOM 265 O LYS P 16 -1.436 7.705 -0.780 1.00 0.00 P1 O
+ATOM 266 N VAL P 17 -0.161 6.317 0.390 1.00 0.00 P1 N
+ATOM 267 HN VAL P 17 0.092 5.395 0.672 1.00 0.00 P1 H
+ATOM 268 CA VAL P 17 0.449 7.381 1.198 1.00 0.00 P1 C
+ATOM 269 HA VAL P 17 -0.344 8.094 1.365 1.00 0.00 P1 H
+ATOM 270 CB VAL P 17 0.982 6.716 2.408 1.00 0.00 P1 C
+ATOM 271 HB VAL P 17 1.669 5.866 2.204 1.00 0.00 P1 H
+ATOM 272 CG1 VAL P 17 1.851 7.733 3.208 1.00 0.00 P1 C
+ATOM 273 HG11 VAL P 17 1.262 8.672 3.281 1.00 0.00 P1 H
+ATOM 274 HG12 VAL P 17 1.917 7.342 4.245 1.00 0.00 P1 H
+ATOM 275 HG13 VAL P 17 2.909 7.921 2.927 1.00 0.00 P1 H
+ATOM 276 CG2 VAL P 17 -0.178 6.191 3.217 1.00 0.00 P1 C
+ATOM 277 HG21 VAL P 17 -0.585 5.359 2.604 1.00 0.00 P1 H
+ATOM 278 HG22 VAL P 17 0.093 5.667 4.159 1.00 0.00 P1 H
+ATOM 279 HG23 VAL P 17 -0.986 6.932 3.391 1.00 0.00 P1 H
+ATOM 280 C VAL P 17 1.407 8.192 0.390 1.00 0.00 P1 C
+ATOM 281 O VAL P 17 1.523 9.388 0.564 1.00 0.00 P1 O
+ATOM 282 N SER P 18 2.184 7.703 -0.522 1.00 0.00 P1 N
+ATOM 283 HN SER P 18 2.461 6.748 -0.473 1.00 0.00 P1 H
+ATOM 284 CA SER P 18 2.907 8.486 -1.522 1.00 0.00 P1 C
+ATOM 285 HA SER P 18 3.525 9.195 -0.990 1.00 0.00 P1 H
+ATOM 286 CB SER P 18 3.938 7.616 -2.415 1.00 0.00 P1 C
+ATOM 287 HB1 SER P 18 3.488 6.912 -3.148 1.00 0.00 P1 H
+ATOM 288 HB2 SER P 18 4.496 8.308 -3.081 1.00 0.00 P1 H
+ATOM 289 OG SER P 18 4.768 6.733 -1.670 1.00 0.00 P1 O
+ATOM 290 HG1 SER P 18 4.636 5.841 -1.999 1.00 0.00 P1 H
+ATOM 291 C SER P 18 1.970 9.348 -2.410 1.00 0.00 P1 C
+ATOM 292 O SER P 18 2.277 10.508 -2.660 1.00 0.00 P1 O
+ATOM 293 N GLU P 19 0.858 8.783 -2.784 1.00 0.00 P1 N
+ATOM 294 HN GLU P 19 0.793 7.801 -2.625 1.00 0.00 P1 H
+ATOM 295 CA GLU P 19 -0.134 9.388 -3.611 1.00 0.00 P1 C
+ATOM 296 HA GLU P 19 0.326 9.620 -4.559 1.00 0.00 P1 H
+ATOM 297 CB GLU P 19 -1.087 8.315 -4.148 1.00 0.00 P1 C
+ATOM 298 HB1 GLU P 19 -0.548 7.350 -4.260 1.00 0.00 P1 H
+ATOM 299 HB2 GLU P 19 -1.928 8.298 -3.422 1.00 0.00 P1 H
+ATOM 300 CG GLU P 19 -1.585 8.608 -5.557 1.00 0.00 P1 C
+ATOM 301 HG1 GLU P 19 -1.826 9.678 -5.733 1.00 0.00 P1 H
+ATOM 302 HG2 GLU P 19 -0.696 8.658 -6.223 1.00 0.00 P1 H
+ATOM 303 CD GLU P 19 -2.651 7.670 -6.147 1.00 0.00 P1 C
+ATOM 304 OE1 GLU P 19 -3.257 6.765 -5.531 1.00 0.00 P1 O
+ATOM 305 OE2 GLU P 19 -2.691 7.775 -7.448 1.00 0.00 P1 O
+ATOM 306 C GLU P 19 -0.938 10.588 -3.140 1.00 0.00 P1 C
+ATOM 307 O GLU P 19 -1.118 11.595 -3.753 1.00 0.00 P1 O
+ATOM 308 N LYS P 20 -1.531 10.577 -1.926 1.00 0.00 P1 N
+ATOM 309 HN LYS P 20 -1.417 9.773 -1.349 1.00 0.00 P1 H
+ATOM 310 CA LYS P 20 -2.415 11.613 -1.446 1.00 0.00 P1 C
+ATOM 311 HA LYS P 20 -2.986 11.946 -2.301 1.00 0.00 P1 H
+ATOM 312 CB LYS P 20 -3.377 11.040 -0.387 1.00 0.00 P1 C
+ATOM 313 HB1 LYS P 20 -2.747 10.842 0.507 1.00 0.00 P1 H
+ATOM 314 HB2 LYS P 20 -3.991 11.908 -0.067 1.00 0.00 P1 H
+ATOM 315 CG LYS P 20 -4.198 9.895 -0.916 1.00 0.00 P1 C
+ATOM 316 HG1 LYS P 20 -4.664 10.207 -1.874 1.00 0.00 P1 H
+ATOM 317 HG2 LYS P 20 -3.475 9.088 -1.163 1.00 0.00 P1 H
+ATOM 318 CD LYS P 20 -5.378 9.408 0.003 1.00 0.00 P1 C
+ATOM 319 HD1 LYS P 20 -5.026 9.316 1.053 1.00 0.00 P1 H
+ATOM 320 HD2 LYS P 20 -6.166 10.185 -0.089 1.00 0.00 P1 H
+ATOM 321 CE LYS P 20 -5.976 8.028 -0.202 1.00 0.00 P1 C
+ATOM 322 HE1 LYS P 20 -5.394 7.089 -0.091 1.00 0.00 P1 H
+ATOM 323 HE2 LYS P 20 -6.811 7.941 0.526 1.00 0.00 P1 H
+ATOM 324 NZ LYS P 20 -6.640 7.978 -1.517 1.00 0.00 P1 N
+ATOM 325 HZ1 LYS P 20 -5.922 7.834 -2.255 1.00 0.00 P1 H
+ATOM 326 HZ2 LYS P 20 -7.249 7.146 -1.654 1.00 0.00 P1 H
+ATOM 327 HZ3 LYS P 20 -7.229 8.779 -1.820 1.00 0.00 P1 H
+ATOM 328 C LYS P 20 -1.618 12.806 -0.896 1.00 0.00 P1 C
+ATOM 329 O LYS P 20 -0.542 12.843 -0.339 1.00 0.00 P1 O
+ATOM 330 N VAL P 21 -2.125 14.040 -0.997 1.00 0.00 P1 N
+ATOM 331 HN VAL P 21 -1.589 14.757 -0.557 1.00 0.00 P1 H
+ATOM 332 CA VAL P 21 -3.341 14.644 -1.614 1.00 0.00 P1 C
+ATOM 333 HA VAL P 21 -4.030 13.843 -1.835 1.00 0.00 P1 H
+ATOM 334 CB VAL P 21 -4.011 15.609 -0.669 1.00 0.00 P1 C
+ATOM 335 HB VAL P 21 -3.257 16.407 -0.499 1.00 0.00 P1 H
+ATOM 336 CG1 VAL P 21 -5.212 16.342 -1.292 1.00 0.00 P1 C
+ATOM 337 HG11 VAL P 21 -5.977 15.564 -1.503 1.00 0.00 P1 H
+ATOM 338 HG12 VAL P 21 -5.593 17.171 -0.658 1.00 0.00 P1 H
+ATOM 339 HG13 VAL P 21 -4.935 16.791 -2.269 1.00 0.00 P1 H
+ATOM 340 CG2 VAL P 21 -4.323 14.775 0.580 1.00 0.00 P1 C
+ATOM 341 HG21 VAL P 21 -4.865 15.497 1.228 1.00 0.00 P1 H
+ATOM 342 HG22 VAL P 21 -5.069 13.998 0.307 1.00 0.00 P1 H
+ATOM 343 HG23 VAL P 21 -3.539 14.330 1.230 1.00 0.00 P1 H
+ATOM 344 C VAL P 21 -3.010 15.272 -2.959 1.00 0.00 P1 C
+ATOM 345 O VAL P 21 -3.839 15.319 -3.860 1.00 0.00 P1 O
+ATOM 346 C GLY P 22 -1.397 15.470 -5.620 1.00 0.00 P1 C
+ATOM 347 OT1 GLY P 22 -2.148 14.836 -5.435 1.00 0.00 P1 O
+ATOM 348 OT2 GLY P 22 -0.850 15.846 -6.368 1.00 0.00 P1 O
+ATOM 349 N GLY P 22 -1.649 15.599 -3.086 1.00 0.00 P1 N
+ATOM 350 HN GLY P 22 -1.161 15.595 -2.216 1.00 0.00 P1 H
+ATOM 351 CA GLY P 22 -0.894 16.102 -4.234 1.00 0.00 P1 C
+ATOM 352 HA1 GLY P 22 0.165 15.890 -4.210 1.00 0.00 P1 H
+ATOM 353 HA2 GLY P 22 -1.082 17.164 -4.273 1.00 0.00 P1 H
+ATOM 354 OH2 TIP3W 2 -18.446 29.454 -17.866 1.00 0.00 WT1 O
+ATOM 355 H1 TIP3W 2 -18.264 28.553 -17.877 1.00 0.00 WT1 H
+ATOM 356 H2 TIP3W 2 -19.283 29.515 -18.282 1.00 0.00 WT1 H
+ATOM 357 OH2 TIP3W 3 -9.830 20.937 -19.338 1.00 0.00 WT1 O
+ATOM 358 H1 TIP3W 3 -10.059 20.959 -18.361 1.00 0.00 WT1 H
+ATOM 359 H2 TIP3W 3 -10.547 21.340 -19.740 1.00 0.00 WT1 H
+ATOM 360 OH2 TIP3W 5 -18.918 -22.325 -7.290 1.00 0.00 WT1 O
+ATOM 361 H1 TIP3W 5 -19.362 -21.956 -8.093 1.00 0.00 WT1 H
+ATOM 362 H2 TIP3W 5 -19.494 -22.028 -6.567 1.00 0.00 WT1 H
+ATOM 363 OH2 TIP3W 7 -16.553 -27.531 -2.303 1.00 0.00 WT1 O
+ATOM 364 H1 TIP3W 7 -16.508 -27.183 -1.396 1.00 0.00 WT1 H
+ATOM 365 H2 TIP3W 7 -15.994 -28.319 -2.233 1.00 0.00 WT1 H
+ATOM 366 OH2 TIP3W 8 -18.017 -28.447 6.693 1.00 0.00 WT1 O
+ATOM 367 H1 TIP3W 8 -18.627 -29.247 6.786 1.00 0.00 WT1 H
+ATOM 368 H2 TIP3W 8 -18.591 -27.752 6.228 1.00 0.00 WT1 H
+ATOM 369 OH2 TIP3W 15 -21.611 -18.400 15.373 1.00 0.00 WT1 O
+ATOM 370 H1 TIP3W 15 -21.449 -19.144 14.772 1.00 0.00 WT1 H
+ATOM 371 H2 TIP3W 15 -21.967 -18.868 16.166 1.00 0.00 WT1 H
+ATOM 372 OH2 TIP3W 21 -17.400 -15.711 -11.122 1.00 0.00 WT1 O
+ATOM 373 H1 TIP3W 21 -16.503 -15.428 -11.378 1.00 0.00 WT1 H
+ATOM 374 H2 TIP3W 21 -17.249 -16.575 -10.704 1.00 0.00 WT1 H
+ATOM 375 OH2 TIP3W 26 -8.149 -26.613 7.362 1.00 0.00 WT1 O
+ATOM 376 H1 TIP3W 26 -9.062 -27.088 7.338 1.00 0.00 WT1 H
+ATOM 377 H2 TIP3W 26 -7.602 -27.294 7.779 1.00 0.00 WT1 H
+ATOM 378 OH2 TIP3W 29 -14.262 -18.596 -1.862 1.00 0.00 WT1 O
+ATOM 379 H1 TIP3W 29 -13.953 -19.059 -1.082 1.00 0.00 WT1 H
+ATOM 380 H2 TIP3W 29 -14.080 -19.291 -2.549 1.00 0.00 WT1 H
+ATOM 381 OH2 TIP3W 30 -11.124 -6.381 8.179 1.00 0.00 WT1 O
+ATOM 382 H1 TIP3W 30 -11.200 -5.712 8.882 1.00 0.00 WT1 H
+ATOM 383 H2 TIP3W 30 -11.967 -6.327 7.742 1.00 0.00 WT1 H
+ATOM 384 OH2 TIP3W 44 -18.800 -16.089 -21.884 1.00 0.00 WT1 O
+ATOM 385 H1 TIP3W 44 -18.805 -17.019 -21.998 1.00 0.00 WT1 H
+ATOM 386 H2 TIP3W 44 -18.058 -15.827 -22.413 1.00 0.00 WT1 H
+ATOM 387 OH2 TIP3W 46 -16.381 -25.416 -4.752 1.00 0.00 WT1 O
+ATOM 388 H1 TIP3W 46 -15.804 -25.060 -4.042 1.00 0.00 WT1 H
+ATOM 389 H2 TIP3W 46 -17.277 -25.345 -4.394 1.00 0.00 WT1 H
+ATOM 390 OH2 TIP3W 47 -6.460 -17.706 -18.617 1.00 0.00 WT1 O
+ATOM 391 H1 TIP3W 47 -6.516 -18.135 -19.468 1.00 0.00 WT1 H
+ATOM 392 H2 TIP3W 47 -5.781 -16.953 -18.749 1.00 0.00 WT1 H
+ATOM 393 OH2 TIP3W 48 -19.836 -23.563 -13.565 1.00 0.00 WT1 O
+ATOM 394 H1 TIP3W 48 -20.476 -24.117 -13.196 1.00 0.00 WT1 H
+ATOM 395 H2 TIP3W 48 -20.422 -23.162 -14.232 1.00 0.00 WT1 H
+ATOM 396 OH2 TIP3W 52 -18.651 -16.212 -1.085 1.00 0.00 WT1 O
+ATOM 397 H1 TIP3W 52 -17.716 -16.373 -1.209 1.00 0.00 WT1 H
+ATOM 398 H2 TIP3W 52 -18.931 -17.040 -0.613 1.00 0.00 WT1 H
+ATOM 399 OH2 TIP3W 53 -19.595 -21.245 4.666 1.00 0.00 WT1 O
+ATOM 400 H1 TIP3W 53 -18.992 -21.439 3.935 1.00 0.00 WT1 H
+ATOM 401 H2 TIP3W 53 -20.172 -20.632 4.236 1.00 0.00 WT1 H
+ATOM 402 OH2 TIP3W 55 -18.346 -25.370 3.887 1.00 0.00 WT1 O
+ATOM 403 H1 TIP3W 55 -17.930 -24.576 3.464 1.00 0.00 WT1 H
+ATOM 404 H2 TIP3W 55 -18.800 -24.979 4.618 1.00 0.00 WT1 H
+ATOM 405 OH2 TIP3W 56 -15.414 -25.408 15.387 1.00 0.00 WT1 O
+ATOM 406 H1 TIP3W 56 -15.546 -24.857 16.133 1.00 0.00 WT1 H
+ATOM 407 H2 TIP3W 56 -16.342 -25.651 15.069 1.00 0.00 WT1 H
+ATOM 408 OH2 TIP3W 64 -11.912 -23.498 -18.208 1.00 0.00 WT1 O
+ATOM 409 H1 TIP3W 64 -11.588 -23.536 -17.262 1.00 0.00 WT1 H
+ATOM 410 H2 TIP3W 64 -12.838 -23.137 -18.119 1.00 0.00 WT1 H
+ATOM 411 OH2 TIP3W 65 -17.561 30.304 -14.283 1.00 0.00 WT1 O
+ATOM 412 H1 TIP3W 65 -17.267 29.393 -14.381 1.00 0.00 WT1 H
+ATOM 413 H2 TIP3W 65 -17.142 30.710 -15.073 1.00 0.00 WT1 H
+ATOM 414 OH2 TIP3W 67 -22.584 -26.740 -8.603 1.00 0.00 WT1 O
+ATOM 415 H1 TIP3W 67 -22.103 -26.417 -9.364 1.00 0.00 WT1 H
+ATOM 416 H2 TIP3W 67 -21.978 -26.626 -7.847 1.00 0.00 WT1 H
+ATOM 417 OH2 TIP3W 68 -12.704 -23.251 -8.278 1.00 0.00 WT1 O
+ATOM 418 H1 TIP3W 68 -13.012 -22.654 -7.597 1.00 0.00 WT1 H
+ATOM 419 H2 TIP3W 68 -12.565 -24.143 -7.905 1.00 0.00 WT1 H
+ATOM 420 OH2 TIP3W 71 -14.622 -26.300 6.259 1.00 0.00 WT1 O
+ATOM 421 H1 TIP3W 71 -14.344 -27.201 6.405 1.00 0.00 WT1 H
+ATOM 422 H2 TIP3W 71 -14.164 -25.862 7.043 1.00 0.00 WT1 H
+ATOM 423 OH2 TIP3W 75 1.591 -18.136 14.932 1.00 0.00 WT1 O
+ATOM 424 H1 TIP3W 75 0.948 -18.465 14.265 1.00 0.00 WT1 H
+ATOM 425 H2 TIP3W 75 2.476 -18.325 14.488 1.00 0.00 WT1 H
+ATOM 426 OH2 TIP3W 76 -16.270 -27.119 4.301 1.00 0.00 WT1 O
+ATOM 427 H1 TIP3W 76 -15.946 -26.776 5.169 1.00 0.00 WT1 H
+ATOM 428 H2 TIP3W 76 -17.023 -26.555 4.086 1.00 0.00 WT1 H
+ATOM 429 OH2 TIP3W 85 -13.663 31.072 -18.928 1.00 0.00 WT1 O
+ATOM 430 H1 TIP3W 85 -13.910 31.813 -19.439 1.00 0.00 WT1 H
+ATOM 431 H2 TIP3W 85 -12.688 31.119 -19.065 1.00 0.00 WT1 H
+ATOM 432 OH2 TIP3W 86 -9.697 -2.747 -14.107 1.00 0.00 WT1 O
+ATOM 433 H1 TIP3W 86 -10.008 -2.611 -13.219 1.00 0.00 WT1 H
+ATOM 434 H2 TIP3W 86 -8.822 -3.070 -13.982 1.00 0.00 WT1 H
+ATOM 435 OH2 TIP3W 87 -20.925 -25.726 -21.251 1.00 0.00 WT1 O
+ATOM 436 H1 TIP3W 87 -20.643 -26.668 -21.213 1.00 0.00 WT1 H
+ATOM 437 H2 TIP3W 87 -21.808 -25.808 -21.711 1.00 0.00 WT1 H
+ATOM 438 OH2 TIP3W 88 -17.765 -11.804 -11.955 1.00 0.00 WT1 O
+ATOM 439 H1 TIP3W 88 -17.120 -11.625 -11.231 1.00 0.00 WT1 H
+ATOM 440 H2 TIP3W 88 -17.202 -11.493 -12.738 1.00 0.00 WT1 H
+ATOM 441 OH2 TIP3W 90 -7.564 -11.552 -10.363 1.00 0.00 WT1 O
+ATOM 442 H1 TIP3W 90 -8.364 -11.598 -9.902 1.00 0.00 WT1 H
+ATOM 443 H2 TIP3W 90 -7.913 -11.350 -11.276 1.00 0.00 WT1 H
+ATOM 444 OH2 TIP3W 94 -21.247 -28.625 -0.380 1.00 0.00 WT1 O
+ATOM 445 H1 TIP3W 94 -21.747 -28.982 -1.107 1.00 0.00 WT1 H
+ATOM 446 H2 TIP3W 94 -20.811 -29.330 -0.056 1.00 0.00 WT1 H
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+ATOM 448 H1 TIP3W 95 -21.942 -16.982 0.155 1.00 0.00 WT1 H
+ATOM 449 H2 TIP3W 95 -22.274 -16.446 -1.219 1.00 0.00 WT1 H
+ATOM 450 OH2 TIP3W 96 -15.619 24.364 11.873 1.00 0.00 WT1 O
+ATOM 451 H1 TIP3W 96 -15.548 24.917 11.050 1.00 0.00 WT1 H
+ATOM 452 H2 TIP3W 96 -16.371 23.765 11.727 1.00 0.00 WT1 H
+ATOM 453 OH2 TIP3W 97 -9.443 -18.612 10.285 1.00 0.00 WT1 O
+ATOM 454 H1 TIP3W 97 -9.655 -18.854 11.162 1.00 0.00 WT1 H
+ATOM 455 H2 TIP3W 97 -9.063 -17.745 10.325 1.00 0.00 WT1 H
+ATOM 456 OH2 TIP3W 98 -10.165 -11.812 8.149 1.00 0.00 WT1 O
+ATOM 457 H1 TIP3W 98 -10.256 -11.786 9.109 1.00 0.00 WT1 H
+ATOM 458 H2 TIP3W 98 -10.305 -10.881 7.869 1.00 0.00 WT1 H
+ATOM 459 OH2 TIP3W 99 -12.631 -14.774 18.013 1.00 0.00 WT1 O
+ATOM 460 H1 TIP3W 99 -13.545 -14.546 18.173 1.00 0.00 WT1 H
+ATOM 461 H2 TIP3W 99 -12.381 -15.444 18.754 1.00 0.00 WT1 H
+ATOM 462 OH2 TIP3W 108 -16.978 -8.489 -10.235 1.00 0.00 WT1 O
+ATOM 463 H1 TIP3W 108 -17.746 -8.785 -10.649 1.00 0.00 WT1 H
+ATOM 464 H2 TIP3W 108 -16.549 -8.071 -10.986 1.00 0.00 WT1 H
+ATOM 465 OH2 TIP3W 111 -12.160 -24.803 -20.790 1.00 0.00 WT1 O
+ATOM 466 H1 TIP3W 111 -11.825 -24.006 -21.200 1.00 0.00 WT1 H
+ATOM 467 H2 TIP3W 111 -12.338 -24.518 -19.886 1.00 0.00 WT1 H
+ATOM 468 OH2 TIP3W 112 -14.017 -6.723 -10.983 1.00 0.00 WT1 O
+ATOM 469 H1 TIP3W 112 -13.463 -6.865 -10.179 1.00 0.00 WT1 H
+ATOM 470 H2 TIP3W 112 -13.781 -5.812 -11.267 1.00 0.00 WT1 H
+ATOM 471 OH2 TIP3W 113 -18.317 -9.655 -6.929 1.00 0.00 WT1 O
+ATOM 472 H1 TIP3W 113 -18.437 -8.727 -7.306 1.00 0.00 WT1 H
+ATOM 473 H2 TIP3W 113 -17.525 -9.611 -6.418 1.00 0.00 WT1 H
+ATOM 474 OH2 TIP3W 115 -18.987 -18.718 0.389 1.00 0.00 WT1 O
+ATOM 475 H1 TIP3W 115 -19.156 -19.531 0.868 1.00 0.00 WT1 H
+ATOM 476 H2 TIP3W 115 -18.025 -18.638 0.467 1.00 0.00 WT1 H
+ATOM 477 OH2 TIP3W 116 -2.634 -30.446 2.970 1.00 0.00 WT1 O
+ATOM 478 H1 TIP3W 116 -2.172 -31.328 2.885 1.00 0.00 WT1 H
+ATOM 479 H2 TIP3W 116 -1.919 -29.754 2.819 1.00 0.00 WT1 H
+ATOM 480 OH2 TIP3W 123 0.931 -21.368 19.590 1.00 0.00 WT1 O
+ATOM 481 H1 TIP3W 123 0.101 -21.835 19.700 1.00 0.00 WT1 H
+ATOM 482 H2 TIP3W 123 1.424 -21.901 20.167 1.00 0.00 WT1 H
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+ATOM 484 H1 TIP3W 125 -0.881 -26.562 -19.364 1.00 0.00 WT1 H
+ATOM 485 H2 TIP3W 125 0.365 -26.748 -20.336 1.00 0.00 WT1 H
+ATOM 486 OH2 TIP3W 129 -14.804 -4.061 -2.553 1.00 0.00 WT1 O
+ATOM 487 H1 TIP3W 129 -13.931 -4.173 -2.080 1.00 0.00 WT1 H
+ATOM 488 H2 TIP3W 129 -14.917 -3.112 -2.750 1.00 0.00 WT1 H
+ATOM 489 OH2 TIP3W 130 -11.660 -27.042 -22.176 1.00 0.00 WT1 O
+ATOM 490 H1 TIP3W 130 -11.448 -27.638 -21.440 1.00 0.00 WT1 H
+ATOM 491 H2 TIP3W 130 -11.929 -26.195 -21.701 1.00 0.00 WT1 H
+ATOM 492 OH2 TIP3W 131 16.094 -7.762 2.562 1.00 0.00 WT1 O
+ATOM 493 H1 TIP3W 131 16.035 -7.023 1.941 1.00 0.00 WT1 H
+ATOM 494 H2 TIP3W 131 16.474 -7.433 3.386 1.00 0.00 WT1 H
+ATOM 495 OH2 TIP3W 133 -13.939 -28.093 -3.916 1.00 0.00 WT1 O
+ATOM 496 H1 TIP3W 133 -14.622 -28.796 -3.868 1.00 0.00 WT1 H
+ATOM 497 H2 TIP3W 133 -14.543 -27.343 -4.041 1.00 0.00 WT1 H
+ATOM 498 OH2 TIP3W 134 -14.205 -15.088 0.081 1.00 0.00 WT1 O
+ATOM 499 H1 TIP3W 134 -15.070 -15.067 0.501 1.00 0.00 WT1 H
+ATOM 500 H2 TIP3W 134 -14.155 -14.144 -0.185 1.00 0.00 WT1 H
+ATOM 501 OH2 TIP3W 135 -18.244 -21.019 2.077 1.00 0.00 WT1 O
+ATOM 502 H1 TIP3W 135 -17.744 -21.710 2.484 1.00 0.00 WT1 H
+ATOM 503 H2 TIP3W 135 -17.683 -20.259 2.384 1.00 0.00 WT1 H
+ATOM 504 OH2 TIP3W 137 -20.916 -16.732 5.972 1.00 0.00 WT1 O
+ATOM 505 H1 TIP3W 137 -20.466 -16.457 6.780 1.00 0.00 WT1 H
+ATOM 506 H2 TIP3W 137 -21.823 -16.890 6.274 1.00 0.00 WT1 H
+ATOM 507 OH2 TIP3W 145 -6.116 -4.318 -21.013 1.00 0.00 WT1 O
+ATOM 508 H1 TIP3W 145 -5.732 -5.177 -20.695 1.00 0.00 WT1 H
+ATOM 509 H2 TIP3W 145 -7.053 -4.551 -21.106 1.00 0.00 WT1 H
+ATOM 510 OH2 TIP3W 146 -14.210 0.507 -14.458 1.00 0.00 WT1 O
+ATOM 511 H1 TIP3W 146 -13.486 -0.124 -14.460 1.00 0.00 WT1 H
+ATOM 512 H2 TIP3W 146 -13.779 1.388 -14.626 1.00 0.00 WT1 H
+ATOM 513 OH2 TIP3W 149 -21.784 -7.323 -17.671 1.00 0.00 WT1 O
+ATOM 514 H1 TIP3W 149 -22.007 -6.342 -17.689 1.00 0.00 WT1 H
+ATOM 515 H2 TIP3W 149 -20.791 -7.244 -17.749 1.00 0.00 WT1 H
+ATOM 516 OH2 TIP3W 150 -18.287 -14.633 -16.025 1.00 0.00 WT1 O
+ATOM 517 H1 TIP3W 150 -19.283 -14.604 -15.872 1.00 0.00 WT1 H
+ATOM 518 H2 TIP3W 150 -18.053 -13.652 -16.270 1.00 0.00 WT1 H
+ATOM 519 OH2 TIP3W 152 -13.694 -19.430 -17.873 1.00 0.00 WT1 O
+ATOM 520 H1 TIP3W 152 -14.467 -19.929 -17.751 1.00 0.00 WT1 H
+ATOM 521 H2 TIP3W 152 -13.244 -19.850 -18.658 1.00 0.00 WT1 H
+ATOM 522 OH2 TIP3W 153 -19.878 -11.438 1.310 1.00 0.00 WT1 O
+ATOM 523 H1 TIP3W 153 -19.997 -11.462 0.362 1.00 0.00 WT1 H
+ATOM 524 H2 TIP3W 153 -19.463 -10.572 1.355 1.00 0.00 WT1 H
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+ATOM 526 H1 TIP3W 155 -19.867 -20.334 6.636 1.00 0.00 WT1 H
+ATOM 527 H2 TIP3W 155 -20.004 -18.865 6.814 1.00 0.00 WT1 H
+ATOM 528 OH2 TIP3W 156 -11.305 -0.821 1.032 1.00 0.00 WT1 O
+ATOM 529 H1 TIP3W 156 -11.439 -1.769 0.854 1.00 0.00 WT1 H
+ATOM 530 H2 TIP3W 156 -10.455 -0.846 1.508 1.00 0.00 WT1 H
+ATOM 531 OH2 TIP3W 163 -11.894 3.444 19.950 1.00 0.00 WT1 O
+ATOM 532 H1 TIP3W 163 -11.797 3.194 19.043 1.00 0.00 WT1 H
+ATOM 533 H2 TIP3W 163 -11.883 2.626 20.449 1.00 0.00 WT1 H
+ATOM 534 OH2 TIP3W 167 -20.412 -13.939 -20.982 1.00 0.00 WT1 O
+ATOM 535 H1 TIP3W 167 -19.954 -14.779 -20.991 1.00 0.00 WT1 H
+ATOM 536 H2 TIP3W 167 -19.655 -13.287 -20.913 1.00 0.00 WT1 H
+ATOM 537 OH2 TIP3W 174 -20.774 8.221 -18.700 1.00 0.00 WT1 O
+ATOM 538 H1 TIP3W 174 -20.357 9.134 -18.800 1.00 0.00 WT1 H
+ATOM 539 H2 TIP3W 174 -20.882 8.110 -17.758 1.00 0.00 WT1 H
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+ATOM 541 H1 TIP3W 177 -17.522 -22.518 13.865 1.00 0.00 WT1 H
+ATOM 542 H2 TIP3W 177 -17.964 -23.183 12.549 1.00 0.00 WT1 H
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+ATOM 544 H1 TIP3W 178 -18.440 3.813 -5.727 1.00 0.00 WT1 H
+ATOM 545 H2 TIP3W 178 -17.602 4.193 -4.509 1.00 0.00 WT1 H
+ATOM 546 OH2 TIP3W 179 -13.000 2.898 13.069 1.00 0.00 WT1 O
+ATOM 547 H1 TIP3W 179 -12.633 3.419 13.815 1.00 0.00 WT1 H
+ATOM 548 H2 TIP3W 179 -12.323 3.104 12.337 1.00 0.00 WT1 H
+ATOM 549 OH2 TIP3W 180 -10.196 -5.100 14.166 1.00 0.00 WT1 O
+ATOM 550 H1 TIP3W 180 -10.741 -4.294 14.099 1.00 0.00 WT1 H
+ATOM 551 H2 TIP3W 180 -10.541 -5.487 14.981 1.00 0.00 WT1 H
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+ATOM 556 H1 TIP3W 191 -22.221 3.724 -20.231 1.00 0.00 WT1 H
+ATOM 557 H2 TIP3W 191 -20.914 2.877 -20.161 1.00 0.00 WT1 H
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+ATOM 559 H1 TIP3W 195 -18.813 -0.020 -14.178 1.00 0.00 WT1 H
+ATOM 560 H2 TIP3W 195 -20.361 0.172 -14.166 1.00 0.00 WT1 H
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+ATOM 565 H1 TIP3W 198 -16.103 1.530 3.071 1.00 0.00 WT1 H
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+ATOM 568 H1 TIP3W 201 -19.607 -3.168 4.841 1.00 0.00 WT1 H
+ATOM 569 H2 TIP3W 201 -19.696 -2.157 3.693 1.00 0.00 WT1 H
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+ATOM 574 H1 TIP3W 212 -12.690 -2.215 -5.113 1.00 0.00 WT1 H
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+ATOM 577 H1 TIP3W 222 -7.796 4.346 12.110 1.00 0.00 WT1 H
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+ATOM 580 H1 TIP3W 224 2.253 18.571 5.999 1.00 0.00 WT1 H
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+ATOM 584 H2 TIP3W 225 -21.196 -10.998 23.040 1.00 0.00 WT1 H
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+ATOM 602 H2 TIP3W 252 -12.301 6.596 -17.111 1.00 0.00 WT1 H
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+ATOM 605 H2 TIP3W 253 -13.138 2.881 -11.649 1.00 0.00 WT1 H
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+ATOM 613 H1 TIP3W 258 -12.300 11.315 -12.295 1.00 0.00 WT1 H
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+ATOM 617 H2 TIP3W 259 -13.472 13.262 5.468 1.00 0.00 WT1 H
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+ATOM 622 H1 TIP3W 267 -18.227 13.493 18.846 1.00 0.00 WT1 H
+ATOM 623 H2 TIP3W 267 -19.426 13.751 19.725 1.00 0.00 WT1 H
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+ATOM 625 H1 TIP3W 281 -15.746 4.497 4.021 1.00 0.00 WT1 H
+ATOM 626 H2 TIP3W 281 -15.403 5.635 4.946 1.00 0.00 WT1 H
+ATOM 627 OH2 TIP3W 283 -19.301 21.579 12.385 1.00 0.00 WT1 O
+ATOM 628 H1 TIP3W 283 -18.904 22.398 12.772 1.00 0.00 WT1 H
+ATOM 629 H2 TIP3W 283 -18.538 21.138 11.934 1.00 0.00 WT1 H
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+ATOM 631 H1 TIP3W 284 -14.206 7.938 14.238 1.00 0.00 WT1 H
+ATOM 632 H2 TIP3W 284 -14.477 9.385 13.959 1.00 0.00 WT1 H
+ATOM 633 OH2 TIP3W 285 -17.365 13.642 3.168 1.00 0.00 WT1 O
+ATOM 634 H1 TIP3W 285 -17.633 13.212 4.009 1.00 0.00 WT1 H
+ATOM 635 H2 TIP3W 285 -16.654 13.085 2.809 1.00 0.00 WT1 H
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+ATOM 637 H1 TIP3W 295 -15.443 0.548 -7.413 1.00 0.00 WT1 H
+ATOM 638 H2 TIP3W 295 -14.309 -0.173 -6.697 1.00 0.00 WT1 H
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+ATOM 640 H1 TIP3W 302 -12.897 12.119 -4.810 1.00 0.00 WT1 H
+ATOM 641 H2 TIP3W 302 -11.707 12.337 -3.903 1.00 0.00 WT1 H
+ATOM 642 OH2 TIP3W 303 -20.408 17.919 -1.856 1.00 0.00 WT1 O
+ATOM 643 H1 TIP3W 303 -19.509 17.565 -1.784 1.00 0.00 WT1 H
+ATOM 644 H2 TIP3W 303 -20.473 18.193 -2.752 1.00 0.00 WT1 H
+ATOM 645 OH2 TIP3W 305 -8.325 19.172 2.107 1.00 0.00 WT1 O
+ATOM 646 H1 TIP3W 305 -9.110 18.660 2.238 1.00 0.00 WT1 H
+ATOM 647 H2 TIP3W 305 -8.196 19.396 3.031 1.00 0.00 WT1 H
+ATOM 648 OH2 TIP3W 306 -19.700 15.512 12.126 1.00 0.00 WT1 O
+ATOM 649 H1 TIP3W 306 -19.444 16.181 12.809 1.00 0.00 WT1 H
+ATOM 650 H2 TIP3W 306 -20.594 15.229 12.303 1.00 0.00 WT1 H
+ATOM 651 OH2 TIP3W 307 -18.062 23.923 13.624 1.00 0.00 WT1 O
+ATOM 652 H1 TIP3W 307 -18.346 23.306 14.295 1.00 0.00 WT1 H
+ATOM 653 H2 TIP3W 307 -17.171 24.024 13.866 1.00 0.00 WT1 H
+ATOM 654 OH2 TIP3W 309 -20.577 19.614 15.622 1.00 0.00 WT1 O
+ATOM 655 H1 TIP3W 309 -21.199 20.265 15.887 1.00 0.00 WT1 H
+ATOM 656 H2 TIP3W 309 -20.003 19.439 16.457 1.00 0.00 WT1 H
+ATOM 657 OH2 TIP3W 316 0.760 13.079 -17.903 1.00 0.00 WT1 O
+ATOM 658 H1 TIP3W 316 0.069 12.976 -18.540 1.00 0.00 WT1 H
+ATOM 659 H2 TIP3W 316 1.155 12.158 -17.780 1.00 0.00 WT1 H
+ATOM 660 OH2 TIP3W 317 -15.267 19.818 -5.351 1.00 0.00 WT1 O
+ATOM 661 H1 TIP3W 317 -14.932 20.571 -5.901 1.00 0.00 WT1 H
+ATOM 662 H2 TIP3W 317 -15.288 20.244 -4.423 1.00 0.00 WT1 H
+ATOM 663 OH2 TIP3W 322 -10.304 12.277 -9.565 1.00 0.00 WT1 O
+ATOM 664 H1 TIP3W 322 -10.939 12.330 -8.848 1.00 0.00 WT1 H
+ATOM 665 H2 TIP3W 322 -9.418 12.064 -9.184 1.00 0.00 WT1 H
+ATOM 666 OH2 TIP3W 325 -19.856 16.189 8.618 1.00 0.00 WT1 O
+ATOM 667 H1 TIP3W 325 -19.386 15.718 9.293 1.00 0.00 WT1 H
+ATOM 668 H2 TIP3W 325 -19.695 15.651 7.814 1.00 0.00 WT1 H
+ATOM 669 OH2 TIP3W 326 -16.564 29.835 3.550 1.00 0.00 WT1 O
+ATOM 670 H1 TIP3W 326 -16.677 29.675 2.544 1.00 0.00 WT1 H
+ATOM 671 H2 TIP3W 326 -17.076 30.633 3.799 1.00 0.00 WT1 H
+ATOM 672 OH2 TIP3W 327 -17.693 5.365 20.654 1.00 0.00 WT1 O
+ATOM 673 H1 TIP3W 327 -17.684 4.395 20.756 1.00 0.00 WT1 H
+ATOM 674 H2 TIP3W 327 -17.657 5.542 19.698 1.00 0.00 WT1 H
+ATOM 675 OH2 TIP3W 329 -21.984 20.493 17.893 1.00 0.00 WT1 O
+ATOM 676 H1 TIP3W 329 -21.127 20.842 18.200 1.00 0.00 WT1 H
+ATOM 677 H2 TIP3W 329 -22.574 21.335 17.913 1.00 0.00 WT1 H
+ATOM 678 OH2 TIP3W 332 -14.815 14.657 21.991 1.00 0.00 WT1 O
+ATOM 679 H1 TIP3W 332 -15.368 13.900 21.794 1.00 0.00 WT1 H
+ATOM 680 H2 TIP3W 332 -14.074 14.214 22.479 1.00 0.00 WT1 H
+ATOM 681 OH2 TIP3W 335 -13.980 26.051 -21.795 1.00 0.00 WT1 O
+ATOM 682 H1 TIP3W 335 -13.645 26.974 -21.717 1.00 0.00 WT1 H
+ATOM 683 H2 TIP3W 335 -13.795 25.895 -22.709 1.00 0.00 WT1 H
+ATOM 684 OH2 TIP3W 338 -18.943 13.061 -16.961 1.00 0.00 WT1 O
+ATOM 685 H1 TIP3W 338 -18.860 13.733 -16.308 1.00 0.00 WT1 H
+ATOM 686 H2 TIP3W 338 -18.137 12.550 -16.889 1.00 0.00 WT1 H
+ATOM 687 OH2 TIP3W 344 -20.980 14.927 -17.854 1.00 0.00 WT1 O
+ATOM 688 H1 TIP3W 344 -20.514 14.073 -18.017 1.00 0.00 WT1 H
+ATOM 689 H2 TIP3W 344 -20.269 15.565 -17.881 1.00 0.00 WT1 H
+ATOM 690 OH2 TIP3W 346 19.559 20.525 -1.971 1.00 0.00 WT1 O
+ATOM 691 H1 TIP3W 346 19.251 21.034 -1.217 1.00 0.00 WT1 H
+ATOM 692 H2 TIP3W 346 20.453 20.268 -1.655 1.00 0.00 WT1 H
+ATOM 693 OH2 TIP3W 347 -19.855 22.090 18.854 1.00 0.00 WT1 O
+ATOM 694 H1 TIP3W 347 -20.041 22.446 19.775 1.00 0.00 WT1 H
+ATOM 695 H2 TIP3W 347 -19.564 22.933 18.412 1.00 0.00 WT1 H
+ATOM 696 OH2 TIP3W 349 -16.605 25.439 20.500 1.00 0.00 WT1 O
+ATOM 697 H1 TIP3W 349 -17.058 25.200 21.328 1.00 0.00 WT1 H
+ATOM 698 H2 TIP3W 349 -16.334 24.511 20.144 1.00 0.00 WT1 H
+ATOM 699 OH2 TIP3W 361 19.885 12.313 -14.478 1.00 0.00 WT1 O
+ATOM 700 H1 TIP3W 361 20.309 12.944 -13.823 1.00 0.00 WT1 H
+ATOM 701 H2 TIP3W 361 19.033 12.697 -14.619 1.00 0.00 WT1 H
+ATOM 702 OH2 TIP3W 362 -10.512 28.853 -9.032 1.00 0.00 WT1 O
+ATOM 703 H1 TIP3W 362 -11.024 28.094 -8.855 1.00 0.00 WT1 H
+ATOM 704 H2 TIP3W 362 -10.073 28.973 -8.148 1.00 0.00 WT1 H
+ATOM 705 OH2 TIP3W 364 -8.152 27.054 -18.703 1.00 0.00 WT1 O
+ATOM 706 H1 TIP3W 364 -8.601 26.148 -18.767 1.00 0.00 WT1 H
+ATOM 707 H2 TIP3W 364 -7.716 27.080 -19.513 1.00 0.00 WT1 H
+ATOM 708 OH2 TIP3W 365 -16.221 -29.733 4.865 1.00 0.00 WT1 O
+ATOM 709 H1 TIP3W 365 -16.787 -28.970 4.655 1.00 0.00 WT1 H
+ATOM 710 H2 TIP3W 365 -15.411 -29.352 5.209 1.00 0.00 WT1 H
+ATOM 711 OH2 TIP3W 366 -9.892 31.547 11.133 1.00 0.00 WT1 O
+ATOM 712 H1 TIP3W 366 -10.767 32.037 11.237 1.00 0.00 WT1 H
+ATOM 713 H2 TIP3W 366 -10.055 30.837 11.711 1.00 0.00 WT1 H
+ATOM 714 OH2 TIP3W 367 -9.040 1.430 20.244 1.00 0.00 WT1 O
+ATOM 715 H1 TIP3W 367 -9.448 1.826 21.033 1.00 0.00 WT1 H
+ATOM 716 H2 TIP3W 367 -8.530 0.735 20.650 1.00 0.00 WT1 H
+ATOM 717 OH2 TIP3W 368 -17.813 11.854 5.137 1.00 0.00 WT1 O
+ATOM 718 H1 TIP3W 368 -18.240 10.986 5.318 1.00 0.00 WT1 H
+ATOM 719 H2 TIP3W 368 -16.931 11.773 5.539 1.00 0.00 WT1 H
+ATOM 720 OH2 TIP3W 369 -16.455 11.840 16.189 1.00 0.00 WT1 O
+ATOM 721 H1 TIP3W 369 -17.095 11.456 16.840 1.00 0.00 WT1 H
+ATOM 722 H2 TIP3W 369 -17.012 12.376 15.578 1.00 0.00 WT1 H
+ATOM 723 OH2 TIP3W 371 -16.603 20.075 15.808 1.00 0.00 WT1 O
+ATOM 724 H1 TIP3W 371 -17.366 20.628 16.002 1.00 0.00 WT1 H
+ATOM 725 H2 TIP3W 371 -16.241 20.001 16.719 1.00 0.00 WT1 H
+ATOM 726 OH2 TIP3W 372 -18.558 24.428 17.492 1.00 0.00 WT1 O
+ATOM 727 H1 TIP3W 372 -18.030 23.783 16.968 1.00 0.00 WT1 H
+ATOM 728 H2 TIP3W 372 -18.213 25.266 17.220 1.00 0.00 WT1 H
+ATOM 729 OH2 TIP3W 378 -3.363 22.903 -20.745 1.00 0.00 WT1 O
+ATOM 730 H1 TIP3W 378 -3.909 22.501 -19.990 1.00 0.00 WT1 H
+ATOM 731 H2 TIP3W 378 -2.655 23.377 -20.272 1.00 0.00 WT1 H
+ATOM 732 OH2 TIP3W 384 -17.620 20.550 -12.289 1.00 0.00 WT1 O
+ATOM 733 H1 TIP3W 384 -18.196 20.002 -11.745 1.00 0.00 WT1 H
+ATOM 734 H2 TIP3W 384 -18.292 21.118 -12.694 1.00 0.00 WT1 H
+ATOM 735 OH2 TIP3W 387 -9.189 25.986 -1.847 1.00 0.00 WT1 O
+ATOM 736 H1 TIP3W 387 -9.085 25.034 -1.895 1.00 0.00 WT1 H
+ATOM 737 H2 TIP3W 387 -9.731 26.192 -1.106 1.00 0.00 WT1 H
+ATOM 738 OH2 TIP3W 388 -14.969 18.136 5.652 1.00 0.00 WT1 O
+ATOM 739 H1 TIP3W 388 -15.586 17.689 6.241 1.00 0.00 WT1 H
+ATOM 740 H2 TIP3W 388 -14.161 17.729 5.929 1.00 0.00 WT1 H
+ATOM 741 OH2 TIP3W 389 -21.164 26.714 12.066 1.00 0.00 WT1 O
+ATOM 742 H1 TIP3W 389 -21.882 26.320 11.626 1.00 0.00 WT1 H
+ATOM 743 H2 TIP3W 389 -20.305 26.295 11.701 1.00 0.00 WT1 H
+ATOM 744 OH2 TIP3W 390 -17.023 26.922 11.092 1.00 0.00 WT1 O
+ATOM 745 H1 TIP3W 390 -16.062 26.977 10.940 1.00 0.00 WT1 H
+ATOM 746 H2 TIP3W 390 -17.028 26.637 11.998 1.00 0.00 WT1 H
+ATOM 747 OH2 TIP3W 391 -21.240 13.943 21.940 1.00 0.00 WT1 O
+ATOM 748 H1 TIP3W 391 -20.458 13.526 22.401 1.00 0.00 WT1 H
+ATOM 749 H2 TIP3W 391 -21.974 13.860 22.591 1.00 0.00 WT1 H
+ATOM 750 OH2 TIP3W 393 -15.638 19.046 13.541 1.00 0.00 WT1 O
+ATOM 751 H1 TIP3W 393 -15.805 19.630 14.295 1.00 0.00 WT1 H
+ATOM 752 H2 TIP3W 393 -14.737 18.817 13.796 1.00 0.00 WT1 H
+ATOM 753 OH2 TIP3W 397 -14.810 18.014 21.919 1.00 0.00 WT1 O
+ATOM 754 H1 TIP3W 397 -14.928 17.763 22.877 1.00 0.00 WT1 H
+ATOM 755 H2 TIP3W 397 -14.274 18.808 22.007 1.00 0.00 WT1 H
+ATOM 756 OH2 TIP3W 401 -21.067 20.913 -11.315 1.00 0.00 WT1 O
+ATOM 757 H1 TIP3W 401 -21.693 21.188 -12.070 1.00 0.00 WT1 H
+ATOM 758 H2 TIP3W 401 -21.612 21.066 -10.508 1.00 0.00 WT1 H
+ATOM 759 OH2 TIP3W 403 -10.922 17.115 -18.869 1.00 0.00 WT1 O
+ATOM 760 H1 TIP3W 403 -10.910 16.207 -18.624 1.00 0.00 WT1 H
+ATOM 761 H2 TIP3W 403 -10.183 17.457 -18.437 1.00 0.00 WT1 H
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+ATOM 763 H1 TIP3W 404 -4.336 31.922 -18.395 1.00 0.00 WT1 H
+ATOM 764 H2 TIP3W 404 -3.977 31.213 -17.014 1.00 0.00 WT1 H
+ATOM 765 OH2 TIP3W 409 -18.768 15.740 1.766 1.00 0.00 WT1 O
+ATOM 766 H1 TIP3W 409 -18.619 15.200 2.529 1.00 0.00 WT1 H
+ATOM 767 H2 TIP3W 409 -18.473 16.579 2.064 1.00 0.00 WT1 H
+ATOM 768 OH2 TIP3W 411 -13.247 -25.669 8.707 1.00 0.00 WT1 O
+ATOM 769 H1 TIP3W 411 -13.682 -25.171 9.440 1.00 0.00 WT1 H
+ATOM 770 H2 TIP3W 411 -13.182 -26.569 9.028 1.00 0.00 WT1 H
+ATOM 771 OH2 TIP3W 424 -7.172 -25.838 -20.693 1.00 0.00 WT1 O
+ATOM 772 H1 TIP3W 424 -6.362 -25.549 -21.066 1.00 0.00 WT1 H
+ATOM 773 H2 TIP3W 424 -7.778 -25.707 -21.523 1.00 0.00 WT1 H
+ATOM 774 OH2 TIP3W 425 -22.062 20.819 -17.923 1.00 0.00 WT1 O
+ATOM 775 H1 TIP3W 425 -22.207 21.787 -18.055 1.00 0.00 WT1 H
+ATOM 776 H2 TIP3W 425 -21.142 20.731 -17.825 1.00 0.00 WT1 H
+ATOM 777 OH2 TIP3W 427 -17.685 23.812 -11.768 1.00 0.00 WT1 O
+ATOM 778 H1 TIP3W 427 -17.836 24.675 -12.203 1.00 0.00 WT1 H
+ATOM 779 H2 TIP3W 427 -16.851 23.932 -11.336 1.00 0.00 WT1 H
+ATOM 780 OH2 TIP3W 431 -19.983 28.385 3.005 1.00 0.00 WT1 O
+ATOM 781 H1 TIP3W 431 -19.243 28.240 3.636 1.00 0.00 WT1 H
+ATOM 782 H2 TIP3W 431 -19.793 29.222 2.561 1.00 0.00 WT1 H
+ATOM 783 OH2 TIP3W 432 -15.015 -28.609 10.901 1.00 0.00 WT1 O
+ATOM 784 H1 TIP3W 432 -15.620 -28.003 10.300 1.00 0.00 WT1 H
+ATOM 785 H2 TIP3W 432 -15.140 -28.312 11.834 1.00 0.00 WT1 H
+ATOM 786 OH2 TIP3W 433 -20.081 22.242 5.951 1.00 0.00 WT1 O
+ATOM 787 H1 TIP3W 433 -20.313 22.981 5.507 1.00 0.00 WT1 H
+ATOM 788 H2 TIP3W 433 -19.966 22.576 6.850 1.00 0.00 WT1 H
+ATOM 789 OH2 TIP3W 443 -12.651 -19.531 -13.003 1.00 0.00 WT1 O
+ATOM 790 H1 TIP3W 443 -12.877 -20.309 -13.560 1.00 0.00 WT1 H
+ATOM 791 H2 TIP3W 443 -13.114 -19.641 -12.176 1.00 0.00 WT1 H
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+ATOM 793 H1 TIP3W 446 -17.149 14.957 -11.143 1.00 0.00 WT1 H
+ATOM 794 H2 TIP3W 446 -16.895 16.513 -10.770 1.00 0.00 WT1 H
+ATOM 795 OH2 TIP3W 448 -8.508 30.325 8.522 1.00 0.00 WT1 O
+ATOM 796 H1 TIP3W 448 -8.840 29.409 8.607 1.00 0.00 WT1 H
+ATOM 797 H2 TIP3W 448 -8.826 30.800 9.347 1.00 0.00 WT1 H
+ATOM 798 OH2 TIP3W 450 -15.526 -30.333 -3.364 1.00 0.00 WT1 O
+ATOM 799 H1 TIP3W 450 -14.936 -30.788 -2.666 1.00 0.00 WT1 H
+ATOM 800 H2 TIP3W 450 -16.438 -30.611 -3.159 1.00 0.00 WT1 H
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+ATOM 802 H1 TIP3W 452 -12.219 -13.639 16.475 1.00 0.00 WT1 H
+ATOM 803 H2 TIP3W 452 -10.800 -13.449 16.035 1.00 0.00 WT1 H
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+ATOM 805 H1 TIP3W 460 -18.253 25.394 -23.027 1.00 0.00 WT1 H
+ATOM 806 H2 TIP3W 460 -17.557 24.471 -21.919 1.00 0.00 WT1 H
+ATOM 807 OH2 TIP3W 465 -8.695 -30.488 -20.202 1.00 0.00 WT1 O
+ATOM 808 H1 TIP3W 465 -8.388 -29.726 -19.772 1.00 0.00 WT1 H
+ATOM 809 H2 TIP3W 465 -9.374 -30.830 -19.616 1.00 0.00 WT1 H
+ATOM 810 OH2 TIP3W 466 -13.763 -21.826 -14.367 1.00 0.00 WT1 O
+ATOM 811 H1 TIP3W 466 -14.403 -21.654 -15.046 1.00 0.00 WT1 H
+ATOM 812 H2 TIP3W 466 -14.197 -22.346 -13.660 1.00 0.00 WT1 H
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+ATOM 814 H1 TIP3W 468 -12.383 19.372 -20.375 1.00 0.00 WT1 H
+ATOM 815 H2 TIP3W 468 -13.179 19.452 -19.084 1.00 0.00 WT1 H
+ATOM 816 OH2 TIP3W 469 -13.508 -20.440 -10.460 1.00 0.00 WT1 O
+ATOM 817 H1 TIP3W 469 -14.358 -20.846 -10.201 1.00 0.00 WT1 H
+ATOM 818 H2 TIP3W 469 -13.074 -20.213 -9.634 1.00 0.00 WT1 H
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+ATOM 820 H1 TIP3W 470 -20.252 26.372 -3.020 1.00 0.00 WT1 H
+ATOM 821 H2 TIP3W 470 -19.769 26.977 -4.292 1.00 0.00 WT1 H
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+ATOM 823 H1 TIP3W 472 -22.240 26.882 -13.607 1.00 0.00 WT1 H
+ATOM 824 H2 TIP3W 472 -21.329 25.688 -13.398 1.00 0.00 WT1 H
+ATOM 825 OH2 TIP3W 480 -20.789 24.939 14.590 1.00 0.00 WT1 O
+ATOM 826 H1 TIP3W 480 -21.418 25.430 14.039 1.00 0.00 WT1 H
+ATOM 827 H2 TIP3W 480 -19.945 25.127 14.215 1.00 0.00 WT1 H
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+ATOM 829 H1 TIP3W 481 -17.267 29.554 12.646 1.00 0.00 WT1 H
+ATOM 830 H2 TIP3W 481 -18.643 29.482 13.244 1.00 0.00 WT1 H
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+ATOM 832 H1 TIP3W 483 -11.429 27.686 -16.300 1.00 0.00 WT1 H
+ATOM 833 H2 TIP3W 483 -12.017 26.450 -15.746 1.00 0.00 WT1 H
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+ATOM 835 H1 TIP3W 484 -12.219 -31.448 -20.178 1.00 0.00 WT1 H
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+ATOM 838 H1 TIP3W 485 -17.181 -24.488 -14.880 1.00 0.00 WT1 H
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+ATOM 841 H1 TIP3W 486 -19.477 -27.135 -14.097 1.00 0.00 WT1 H
+ATOM 842 H2 TIP3W 486 -18.769 -28.434 -13.867 1.00 0.00 WT1 H
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+ATOM 847 H1 TIP3W 490 -20.326 -27.887 9.956 1.00 0.00 WT1 H
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+ATOM 850 H1 TIP3W 491 -20.906 -24.363 4.553 1.00 0.00 WT1 H
+ATOM 851 H2 TIP3W 491 -20.752 -23.196 5.539 1.00 0.00 WT1 H
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+ATOM 853 H1 TIP3W 494 -22.127 -13.615 14.158 1.00 0.00 WT1 H
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+ATOM 856 H1 TIP3W 495 -12.997 -24.781 2.651 1.00 0.00 WT1 H
+ATOM 857 H2 TIP3W 495 -12.150 -23.751 1.993 1.00 0.00 WT1 H
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+ATOM 859 H1 TIP3W 496 -18.220 30.445 15.933 1.00 0.00 WT1 H
+ATOM 860 H2 TIP3W 496 -17.779 30.576 17.367 1.00 0.00 WT1 H
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+ATOM 862 H1 TIP3W 498 -13.530 -28.472 10.008 1.00 0.00 WT1 H
+ATOM 863 H2 TIP3W 498 -12.226 -29.082 9.471 1.00 0.00 WT1 H
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+ATOM 866 H2 TIP3W 503 -19.146 -22.977 -10.232 1.00 0.00 WT1 H
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+ATOM 868 H1 TIP3W 506 -20.429 -26.246 -6.095 1.00 0.00 WT1 H
+ATOM 869 H2 TIP3W 506 -19.285 -26.375 -7.068 1.00 0.00 WT1 H
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+ATOM 871 H1 TIP3W 507 -17.036 -10.372 -21.347 1.00 0.00 WT1 H
+ATOM 872 H2 TIP3W 507 -15.727 -10.935 -21.002 1.00 0.00 WT1 H
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+ATOM 874 H1 TIP3W 508 8.957 -18.765 -16.463 1.00 0.00 WT1 H
+ATOM 875 H2 TIP3W 508 9.705 -19.477 -15.327 1.00 0.00 WT1 H
+ATOM 876 OH2 TIP3W 509 -18.569 -28.502 -3.776 1.00 0.00 WT1 O
+ATOM 877 H1 TIP3W 509 -19.444 -28.365 -4.062 1.00 0.00 WT1 H
+ATOM 878 H2 TIP3W 509 -18.004 -27.680 -3.899 1.00 0.00 WT1 H
+ATOM 879 OH2 TIP3W 511 -20.242 -11.935 -1.563 1.00 0.00 WT1 O
+ATOM 880 H1 TIP3W 511 -19.654 -11.586 -2.249 1.00 0.00 WT1 H
+ATOM 881 H2 TIP3W 511 -21.119 -11.859 -2.056 1.00 0.00 WT1 H
+ATOM 882 OH2 TIP3W 512 -1.973 -18.791 -12.128 1.00 0.00 WT1 O
+ATOM 883 H1 TIP3W 512 -1.847 -18.448 -12.976 1.00 0.00 WT1 H
+ATOM 884 H2 TIP3W 512 -2.967 -18.591 -11.944 1.00 0.00 WT1 H
+ATOM 885 OH2 TIP3W 514 -11.094 -26.859 11.652 1.00 0.00 WT1 O
+ATOM 886 H1 TIP3W 514 -11.423 -27.203 10.846 1.00 0.00 WT1 H
+ATOM 887 H2 TIP3W 514 -11.200 -25.928 11.665 1.00 0.00 WT1 H
+ATOM 888 OH2 TIP3W 515 -20.799 -22.889 1.321 1.00 0.00 WT1 O
+ATOM 889 H1 TIP3W 515 -20.454 -22.832 0.452 1.00 0.00 WT1 H
+ATOM 890 H2 TIP3W 515 -20.726 -22.001 1.593 1.00 0.00 WT1 H
+ATOM 891 OH2 TIP3W 516 -18.459 -30.537 9.567 1.00 0.00 WT1 O
+ATOM 892 H1 TIP3W 516 -18.756 -30.135 8.795 1.00 0.00 WT1 H
+ATOM 893 H2 TIP3W 516 -17.856 -29.845 9.904 1.00 0.00 WT1 H
+ATOM 894 OH2 TIP3W 517 -8.060 -21.875 -3.057 1.00 0.00 WT1 O
+ATOM 895 H1 TIP3W 517 -8.424 -22.674 -2.691 1.00 0.00 WT1 H
+ATOM 896 H2 TIP3W 517 -8.120 -21.987 -4.000 1.00 0.00 WT1 H
+ATOM 897 OH2 TIP3W 528 3.538 -15.813 -6.387 1.00 0.00 WT1 O
+ATOM 898 H1 TIP3W 528 4.362 -15.543 -5.950 1.00 0.00 WT1 H
+ATOM 899 H2 TIP3W 528 3.551 -15.359 -7.294 1.00 0.00 WT1 H
+ATOM 900 OH2 TIP3W 529 -13.710 -3.970 -17.615 1.00 0.00 WT1 O
+ATOM 901 H1 TIP3W 529 -13.359 -4.830 -17.836 1.00 0.00 WT1 H
+ATOM 902 H2 TIP3W 529 -13.796 -4.009 -16.661 1.00 0.00 WT1 H
+ATOM 903 OH2 TIP3W 533 -17.013 -17.603 -4.104 1.00 0.00 WT1 O
+ATOM 904 H1 TIP3W 533 -16.627 -17.068 -3.386 1.00 0.00 WT1 H
+ATOM 905 H2 TIP3W 533 -16.717 -16.994 -4.863 1.00 0.00 WT1 H
+ATOM 906 OH2 TIP3W 534 -6.303 -25.053 -0.413 1.00 0.00 WT1 O
+ATOM 907 H1 TIP3W 534 -6.946 -24.349 -0.745 1.00 0.00 WT1 H
+ATOM 908 H2 TIP3W 534 -6.613 -25.847 -0.815 1.00 0.00 WT1 H
+ATOM 909 OH2 TIP3W 535 0.286 -13.966 -6.406 1.00 0.00 WT1 O
+ATOM 910 H1 TIP3W 535 -0.385 -14.543 -6.815 1.00 0.00 WT1 H
+ATOM 911 H2 TIP3W 535 -0.251 -13.426 -5.769 1.00 0.00 WT1 H
+ATOM 912 OH2 TIP3W 538 -12.481 -31.566 15.917 1.00 0.00 WT1 O
+ATOM 913 H1 TIP3W 538 -13.098 -30.957 15.437 1.00 0.00 WT1 H
+ATOM 914 H2 TIP3W 538 -11.954 -30.989 16.511 1.00 0.00 WT1 H
+ATOM 915 OH2 TIP3W 540 -21.844 -11.760 14.230 1.00 0.00 WT1 O
+ATOM 916 H1 TIP3W 540 -22.423 -11.205 13.661 1.00 0.00 WT1 H
+ATOM 917 H2 TIP3W 540 -21.054 -11.997 13.643 1.00 0.00 WT1 H
+ATOM 918 OH2 TIP3W 543 -17.128 -19.310 -18.605 1.00 0.00 WT1 O
+ATOM 919 H1 TIP3W 543 -16.913 -19.388 -19.582 1.00 0.00 WT1 H
+ATOM 920 H2 TIP3W 543 -17.687 -18.513 -18.537 1.00 0.00 WT1 H
+ATOM 921 OH2 TIP3W 549 5.263 -22.539 -4.021 1.00 0.00 WT1 O
+ATOM 922 H1 TIP3W 549 4.584 -22.687 -3.331 1.00 0.00 WT1 H
+ATOM 923 H2 TIP3W 549 4.817 -21.988 -4.705 1.00 0.00 WT1 H
+ATOM 924 OH2 TIP3W 550 -18.034 -31.037 -2.864 1.00 0.00 WT1 O
+ATOM 925 H1 TIP3W 550 -18.312 -30.213 -3.241 1.00 0.00 WT1 H
+ATOM 926 H2 TIP3W 550 -18.351 -31.606 -3.623 1.00 0.00 WT1 H
+ATOM 927 OH2 TIP3W 551 -17.992 -7.141 -7.994 1.00 0.00 WT1 O
+ATOM 928 H1 TIP3W 551 -18.948 -6.907 -7.998 1.00 0.00 WT1 H
+ATOM 929 H2 TIP3W 551 -17.828 -7.510 -8.882 1.00 0.00 WT1 H
+ATOM 930 OH2 TIP3W 552 -11.620 -31.920 4.470 1.00 0.00 WT1 O
+ATOM 931 H1 TIP3W 552 -11.751 -30.984 4.281 1.00 0.00 WT1 H
+ATOM 932 H2 TIP3W 552 -12.028 -32.315 3.689 1.00 0.00 WT1 H
+ATOM 933 OH2 TIP3W 553 -16.006 -19.415 6.497 1.00 0.00 WT1 O
+ATOM 934 H1 TIP3W 553 -16.156 -18.521 6.778 1.00 0.00 WT1 H
+ATOM 935 H2 TIP3W 553 -16.157 -19.908 7.287 1.00 0.00 WT1 H
+ATOM 936 OH2 TIP3W 554 -17.426 -18.663 -15.240 1.00 0.00 WT1 O
+ATOM 937 H1 TIP3W 554 -16.538 -18.985 -14.987 1.00 0.00 WT1 H
+ATOM 938 H2 TIP3W 554 -17.578 -17.914 -14.666 1.00 0.00 WT1 H
+ATOM 939 OH2 TIP3W 555 -21.098 -24.653 8.644 1.00 0.00 WT1 O
+ATOM 940 H1 TIP3W 555 -21.808 -24.084 9.001 1.00 0.00 WT1 H
+ATOM 941 H2 TIP3W 555 -21.043 -24.364 7.727 1.00 0.00 WT1 H
+ATOM 942 OH2 TIP3W 556 -19.238 -5.320 21.175 1.00 0.00 WT1 O
+ATOM 943 H1 TIP3W 556 -18.739 -5.152 22.031 1.00 0.00 WT1 H
+ATOM 944 H2 TIP3W 556 -19.773 -6.072 21.467 1.00 0.00 WT1 H
+ATOM 945 OH2 TIP3W 558 -12.196 -26.021 -4.366 1.00 0.00 WT1 O
+ATOM 946 H1 TIP3W 558 -11.898 -25.923 -3.463 1.00 0.00 WT1 H
+ATOM 947 H2 TIP3W 558 -12.742 -26.818 -4.273 1.00 0.00 WT1 H
+ATOM 948 OH2 TIP3W 562 -20.908 -10.465 -22.159 1.00 0.00 WT1 O
+ATOM 949 H1 TIP3W 562 -21.314 -11.127 -21.602 1.00 0.00 WT1 H
+ATOM 950 H2 TIP3W 562 -21.088 -9.598 -21.701 1.00 0.00 WT1 H
+ATOM 951 OH2 TIP3W 568 -12.956 -10.860 -20.194 1.00 0.00 WT1 O
+ATOM 952 H1 TIP3W 568 -12.985 -9.936 -20.551 1.00 0.00 WT1 H
+ATOM 953 H2 TIP3W 568 -13.299 -11.453 -20.882 1.00 0.00 WT1 H
+ATOM 954 OH2 TIP3W 570 -21.831 1.637 -10.271 1.00 0.00 WT1 O
+ATOM 955 H1 TIP3W 570 -21.208 1.793 -9.538 1.00 0.00 WT1 H
+ATOM 956 H2 TIP3W 570 -22.255 0.814 -9.965 1.00 0.00 WT1 H
+ATOM 957 OH2 TIP3W 573 -18.195 -2.984 -2.074 1.00 0.00 WT1 O
+ATOM 958 H1 TIP3W 573 -18.823 -3.608 -1.683 1.00 0.00 WT1 H
+ATOM 959 H2 TIP3W 573 -17.992 -3.363 -2.986 1.00 0.00 WT1 H
+ATOM 960 OH2 TIP3W 575 -20.242 -21.836 -20.570 1.00 0.00 WT1 O
+ATOM 961 H1 TIP3W 575 -20.464 -21.654 -19.641 1.00 0.00 WT1 H
+ATOM 962 H2 TIP3W 575 -19.639 -22.616 -20.577 1.00 0.00 WT1 H
+ATOM 963 OH2 TIP3W 576 -20.004 -4.772 -1.131 1.00 0.00 WT1 O
+ATOM 964 H1 TIP3W 576 -20.760 -5.073 -0.584 1.00 0.00 WT1 H
+ATOM 965 H2 TIP3W 576 -20.445 -4.534 -1.967 1.00 0.00 WT1 H
+ATOM 966 OH2 TIP3W 578 -19.967 -4.360 14.626 1.00 0.00 WT1 O
+ATOM 967 H1 TIP3W 578 -20.117 -3.413 14.417 1.00 0.00 WT1 H
+ATOM 968 H2 TIP3W 578 -20.615 -4.651 15.306 1.00 0.00 WT1 H
+ATOM 969 OH2 TIP3W 579 -14.463 -24.517 10.911 1.00 0.00 WT1 O
+ATOM 970 H1 TIP3W 579 -14.303 -24.868 11.845 1.00 0.00 WT1 H
+ATOM 971 H2 TIP3W 579 -13.857 -23.773 10.806 1.00 0.00 WT1 H
+ATOM 972 OH2 TIP3W 580 -9.201 -22.638 6.259 1.00 0.00 WT1 O
+ATOM 973 H1 TIP3W 580 -8.730 -22.016 6.868 1.00 0.00 WT1 H
+ATOM 974 H2 TIP3W 580 -9.987 -22.894 6.771 1.00 0.00 WT1 H
+ATOM 975 OH2 TIP3W 584 -21.763 -8.739 -20.306 1.00 0.00 WT1 O
+ATOM 976 H1 TIP3W 584 -20.950 -9.091 -19.854 1.00 0.00 WT1 H
+ATOM 977 H2 TIP3W 584 -22.333 -8.429 -19.554 1.00 0.00 WT1 H
+ATOM 978 OH2 TIP3W 588 -7.792 7.775 -21.670 1.00 0.00 WT1 O
+ATOM 979 H1 TIP3W 588 -7.709 8.507 -22.273 1.00 0.00 WT1 H
+ATOM 980 H2 TIP3W 588 -6.943 7.311 -21.779 1.00 0.00 WT1 H
+ATOM 981 OH2 TIP3W 591 -20.503 -4.075 -15.868 1.00 0.00 WT1 O
+ATOM 982 H1 TIP3W 591 -21.028 -3.893 -15.079 1.00 0.00 WT1 H
+ATOM 983 H2 TIP3W 591 -21.090 -4.670 -16.383 1.00 0.00 WT1 H
+ATOM 984 OH2 TIP3W 592 -9.366 -7.913 -10.102 1.00 0.00 WT1 O
+ATOM 985 H1 TIP3W 592 -9.695 -7.024 -9.907 1.00 0.00 WT1 H
+ATOM 986 H2 TIP3W 592 -9.530 -8.489 -9.341 1.00 0.00 WT1 H
+ATOM 987 OH2 TIP3W 593 -21.591 -4.386 -13.179 1.00 0.00 WT1 O
+ATOM 988 H1 TIP3W 593 -22.573 -4.426 -13.151 1.00 0.00 WT1 H
+ATOM 989 H2 TIP3W 593 -21.288 -5.288 -12.931 1.00 0.00 WT1 H
+ATOM 990 OH2 TIP3W 594 -19.876 -26.222 -15.654 1.00 0.00 WT1 O
+ATOM 991 H1 TIP3W 594 -20.119 -26.171 -16.633 1.00 0.00 WT1 H
+ATOM 992 H2 TIP3W 594 -19.176 -25.552 -15.614 1.00 0.00 WT1 H
+ATOM 993 OH2 TIP3W 595 -15.675 -12.949 -5.859 1.00 0.00 WT1 O
+ATOM 994 H1 TIP3W 595 -15.069 -12.289 -6.237 1.00 0.00 WT1 H
+ATOM 995 H2 TIP3W 595 -16.271 -13.271 -6.606 1.00 0.00 WT1 H
+ATOM 996 OH2 TIP3W 598 -9.250 -7.946 13.591 1.00 0.00 WT1 O
+ATOM 997 H1 TIP3W 598 -9.347 -7.243 14.240 1.00 0.00 WT1 H
+ATOM 998 H2 TIP3W 598 -8.893 -8.694 14.050 1.00 0.00 WT1 H
+ATOM 999 OH2 TIP3W 599 -19.752 -17.364 11.180 1.00 0.00 WT1 O
+ATOM 1000 H1 TIP3W 599 -20.307 -17.600 11.929 1.00 0.00 WT1 H
+ATOM 1001 H2 TIP3W 599 -18.979 -17.858 11.309 1.00 0.00 WT1 H
+ATOM 1002 OH2 TIP3W 600 -19.501 2.879 17.456 1.00 0.00 WT1 O
+ATOM 1003 H1 TIP3W 600 -18.642 2.829 17.815 1.00 0.00 WT1 H
+ATOM 1004 H2 TIP3W 600 -20.063 2.408 18.070 1.00 0.00 WT1 H
+ATOM 1005 OH2 TIP3W 601 0.538 -11.778 22.430 1.00 0.00 WT1 O
+ATOM 1006 H1 TIP3W 601 -0.476 -11.821 22.177 1.00 0.00 WT1 H
+ATOM 1007 H2 TIP3W 601 0.709 -12.744 22.635 1.00 0.00 WT1 H
+ATOM 1008 OH2 TIP3W 602 -17.407 -11.517 4.193 1.00 0.00 WT1 O
+ATOM 1009 H1 TIP3W 602 -17.968 -10.801 4.452 1.00 0.00 WT1 H
+ATOM 1010 H2 TIP3W 602 -17.390 -12.196 4.913 1.00 0.00 WT1 H
+ATOM 1011 OH2 TIP3W 611 -13.247 6.006 -5.171 1.00 0.00 WT1 O
+ATOM 1012 H1 TIP3W 611 -13.295 5.318 -4.485 1.00 0.00 WT1 H
+ATOM 1013 H2 TIP3W 611 -12.481 5.707 -5.683 1.00 0.00 WT1 H
+ATOM 1014 OH2 TIP3W 612 -6.394 -10.004 -19.412 1.00 0.00 WT1 O
+ATOM 1015 H1 TIP3W 612 -6.223 -9.526 -18.572 1.00 0.00 WT1 H
+ATOM 1016 H2 TIP3W 612 -6.159 -9.342 -20.108 1.00 0.00 WT1 H
+ATOM 1017 OH2 TIP3W 613 -9.046 -10.187 -20.446 1.00 0.00 WT1 O
+ATOM 1018 H1 TIP3W 613 -9.621 -9.932 -19.732 1.00 0.00 WT1 H
+ATOM 1019 H2 TIP3W 613 -8.158 -10.003 -20.120 1.00 0.00 WT1 H
+ATOM 1020 OH2 TIP3W 615 -13.061 -3.866 6.957 1.00 0.00 WT1 O
+ATOM 1021 H1 TIP3W 615 -12.171 -3.989 6.492 1.00 0.00 WT1 H
+ATOM 1022 H2 TIP3W 615 -13.389 -4.736 7.045 1.00 0.00 WT1 H
+ATOM 1023 OH2 TIP3W 616 -19.581 1.562 -8.445 1.00 0.00 WT1 O
+ATOM 1024 H1 TIP3W 616 -18.837 1.801 -9.035 1.00 0.00 WT1 H
+ATOM 1025 H2 TIP3W 616 -19.483 0.635 -8.269 1.00 0.00 WT1 H
+ATOM 1026 OH2 TIP3W 618 -14.197 -14.242 7.798 1.00 0.00 WT1 O
+ATOM 1027 H1 TIP3W 618 -14.618 -14.637 7.016 1.00 0.00 WT1 H
+ATOM 1028 H2 TIP3W 618 -14.169 -14.956 8.447 1.00 0.00 WT1 H
+ATOM 1029 OH2 TIP3W 619 -17.389 5.333 -2.682 1.00 0.00 WT1 O
+ATOM 1030 H1 TIP3W 619 -17.069 6.081 -3.166 1.00 0.00 WT1 H
+ATOM 1031 H2 TIP3W 619 -18.348 5.545 -2.421 1.00 0.00 WT1 H
+ATOM 1032 OH2 TIP3W 623 -12.148 -11.170 17.815 1.00 0.00 WT1 O
+ATOM 1033 H1 TIP3W 623 -11.740 -11.667 17.074 1.00 0.00 WT1 H
+ATOM 1034 H2 TIP3W 623 -13.009 -10.927 17.518 1.00 0.00 WT1 H
+ATOM 1035 OH2 TIP3W 624 -7.260 -5.439 8.208 1.00 0.00 WT1 O
+ATOM 1036 H1 TIP3W 624 -8.133 -5.671 7.734 1.00 0.00 WT1 H
+ATOM 1037 H2 TIP3W 624 -7.518 -4.787 8.839 1.00 0.00 WT1 H
+ATOM 1038 OH2 TIP3W 626 -19.315 -13.433 19.993 1.00 0.00 WT1 O
+ATOM 1039 H1 TIP3W 626 -19.128 -14.334 19.794 1.00 0.00 WT1 H
+ATOM 1040 H2 TIP3W 626 -19.266 -12.978 19.119 1.00 0.00 WT1 H
+ATOM 1041 OH2 TIP3W 632 -14.405 -8.942 -15.557 1.00 0.00 WT1 O
+ATOM 1042 H1 TIP3W 632 -13.579 -8.470 -15.491 1.00 0.00 WT1 H
+ATOM 1043 H2 TIP3W 632 -15.069 -8.290 -15.882 1.00 0.00 WT1 H
+ATOM 1044 OH2 TIP3W 634 -11.657 -17.657 -17.476 1.00 0.00 WT1 O
+ATOM 1045 H1 TIP3W 634 -12.536 -17.866 -17.786 1.00 0.00 WT1 H
+ATOM 1046 H2 TIP3W 634 -11.185 -18.528 -17.477 1.00 0.00 WT1 H
+ATOM 1047 OH2 TIP3W 636 -15.602 1.750 -0.146 1.00 0.00 WT1 O
+ATOM 1048 H1 TIP3W 636 -16.368 1.678 -0.737 1.00 0.00 WT1 H
+ATOM 1049 H2 TIP3W 636 -15.870 1.201 0.606 1.00 0.00 WT1 H
+ATOM 1050 OH2 TIP3W 637 -15.589 2.348 12.148 1.00 0.00 WT1 O
+ATOM 1051 H1 TIP3W 637 -14.986 2.584 12.801 1.00 0.00 WT1 H
+ATOM 1052 H2 TIP3W 637 -15.651 1.397 12.270 1.00 0.00 WT1 H
+ATOM 1053 OH2 TIP3W 638 -20.500 -6.955 -5.000 1.00 0.00 WT1 O
+ATOM 1054 H1 TIP3W 638 -20.412 -6.484 -5.800 1.00 0.00 WT1 H
+ATOM 1055 H2 TIP3W 638 -21.314 -6.538 -4.590 1.00 0.00 WT1 H
+ATOM 1056 OH2 TIP3W 639 -20.903 -6.740 3.138 1.00 0.00 WT1 O
+ATOM 1057 H1 TIP3W 639 -20.006 -6.500 3.232 1.00 0.00 WT1 H
+ATOM 1058 H2 TIP3W 639 -21.101 -7.180 3.932 1.00 0.00 WT1 H
+ATOM 1059 OH2 TIP3W 642 -20.832 2.210 11.214 1.00 0.00 WT1 O
+ATOM 1060 H1 TIP3W 642 -20.795 2.255 12.226 1.00 0.00 WT1 H
+ATOM 1061 H2 TIP3W 642 -20.018 2.604 10.985 1.00 0.00 WT1 H
+ATOM 1062 OH2 TIP3W 643 -7.886 -3.230 9.881 1.00 0.00 WT1 O
+ATOM 1063 H1 TIP3W 643 -8.011 -3.520 10.802 1.00 0.00 WT1 H
+ATOM 1064 H2 TIP3W 643 -8.817 -3.224 9.554 1.00 0.00 WT1 H
+ATOM 1065 OH2 TIP3W 653 -17.029 8.677 -12.228 1.00 0.00 WT1 O
+ATOM 1066 H1 TIP3W 653 -17.945 8.532 -11.828 1.00 0.00 WT1 H
+ATOM 1067 H2 TIP3W 653 -16.734 9.542 -11.816 1.00 0.00 WT1 H
+ATOM 1068 OH2 TIP3W 657 -13.500 5.221 -12.333 1.00 0.00 WT1 O
+ATOM 1069 H1 TIP3W 657 -13.985 6.056 -12.527 1.00 0.00 WT1 H
+ATOM 1070 H2 TIP3W 657 -13.391 5.276 -11.330 1.00 0.00 WT1 H
+ATOM 1071 OH2 TIP3W 659 -6.079 -15.237 -2.188 1.00 0.00 WT1 O
+ATOM 1072 H1 TIP3W 659 -5.360 -15.401 -2.899 1.00 0.00 WT1 H
+ATOM 1073 H2 TIP3W 659 -6.556 -16.110 -2.112 1.00 0.00 WT1 H
+ATOM 1074 OH2 TIP3W 661 -10.655 4.128 9.192 1.00 0.00 WT1 O
+ATOM 1075 H1 TIP3W 661 -11.147 3.766 9.954 1.00 0.00 WT1 H
+ATOM 1076 H2 TIP3W 661 -10.343 3.316 8.651 1.00 0.00 WT1 H
+ATOM 1077 OH2 TIP3W 662 -18.796 -9.089 2.873 1.00 0.00 WT1 O
+ATOM 1078 H1 TIP3W 662 -18.475 -8.723 3.707 1.00 0.00 WT1 H
+ATOM 1079 H2 TIP3W 662 -19.751 -9.211 3.054 1.00 0.00 WT1 H
+ATOM 1080 OH2 TIP3W 666 -20.961 -2.307 13.164 1.00 0.00 WT1 O
+ATOM 1081 H1 TIP3W 666 -20.858 -1.695 12.424 1.00 0.00 WT1 H
+ATOM 1082 H2 TIP3W 666 -21.674 -1.858 13.649 1.00 0.00 WT1 H
+ATOM 1083 OH2 TIP3W 674 -17.372 3.321 -21.298 1.00 0.00 WT1 O
+ATOM 1084 H1 TIP3W 674 -16.839 3.326 -22.096 1.00 0.00 WT1 H
+ATOM 1085 H2 TIP3W 674 -17.997 4.055 -21.526 1.00 0.00 WT1 H
+ATOM 1086 OH2 TIP3W 675 -15.595 8.262 -18.045 1.00 0.00 WT1 O
+ATOM 1087 H1 TIP3W 675 -15.679 8.479 -17.113 1.00 0.00 WT1 H
+ATOM 1088 H2 TIP3W 675 -16.344 8.753 -18.470 1.00 0.00 WT1 H
+ATOM 1089 OH2 TIP3W 676 -0.631 -0.262 -11.074 1.00 0.00 WT1 O
+ATOM 1090 H1 TIP3W 676 -0.558 0.350 -10.368 1.00 0.00 WT1 H
+ATOM 1091 H2 TIP3W 676 0.116 -0.007 -11.695 1.00 0.00 WT1 H
+ATOM 1092 OH2 TIP3W 677 -18.379 12.133 -5.644 1.00 0.00 WT1 O
+ATOM 1093 H1 TIP3W 677 -18.281 11.534 -4.926 1.00 0.00 WT1 H
+ATOM 1094 H2 TIP3W 677 -18.347 13.015 -5.229 1.00 0.00 WT1 H
+ATOM 1095 OH2 TIP3W 679 -15.100 -2.665 8.777 1.00 0.00 WT1 O
+ATOM 1096 H1 TIP3W 679 -14.470 -3.252 8.298 1.00 0.00 WT1 H
+ATOM 1097 H2 TIP3W 679 -15.808 -3.311 8.870 1.00 0.00 WT1 H
+ATOM 1098 OH2 TIP3W 680 -7.402 11.287 -5.498 1.00 0.00 WT1 O
+ATOM 1099 H1 TIP3W 680 -6.413 11.324 -5.324 1.00 0.00 WT1 H
+ATOM 1100 H2 TIP3W 680 -7.586 10.360 -5.359 1.00 0.00 WT1 H
+ATOM 1101 OH2 TIP3W 682 -15.151 -1.291 -3.094 1.00 0.00 WT1 O
+ATOM 1102 H1 TIP3W 682 -16.008 -1.143 -3.528 1.00 0.00 WT1 H
+ATOM 1103 H2 TIP3W 682 -15.272 -0.865 -2.180 1.00 0.00 WT1 H
+ATOM 1104 OH2 TIP3W 684 -20.429 4.093 2.161 1.00 0.00 WT1 O
+ATOM 1105 H1 TIP3W 684 -19.695 3.638 1.741 1.00 0.00 WT1 H
+ATOM 1106 H2 TIP3W 684 -20.183 5.029 2.005 1.00 0.00 WT1 H
+ATOM 1107 OH2 TIP3W 686 -13.440 6.151 15.297 1.00 0.00 WT1 O
+ATOM 1108 H1 TIP3W 686 -12.695 5.557 15.302 1.00 0.00 WT1 H
+ATOM 1109 H2 TIP3W 686 -13.104 6.949 15.750 1.00 0.00 WT1 H
+ATOM 1110 OH2 TIP3W 687 -12.514 1.031 20.769 1.00 0.00 WT1 O
+ATOM 1111 H1 TIP3W 687 -12.087 0.155 20.979 1.00 0.00 WT1 H
+ATOM 1112 H2 TIP3W 687 -13.171 0.686 20.116 1.00 0.00 WT1 H
+ATOM 1113 OH2 TIP3W 699 -11.149 1.388 -3.245 1.00 0.00 WT1 O
+ATOM 1114 H1 TIP3W 699 -11.694 1.222 -4.028 1.00 0.00 WT1 H
+ATOM 1115 H2 TIP3W 699 -11.710 1.314 -2.435 1.00 0.00 WT1 H
+ATOM 1116 OH2 TIP3W 700 -10.636 2.915 11.706 1.00 0.00 WT1 O
+ATOM 1117 H1 TIP3W 700 -10.514 1.990 11.593 1.00 0.00 WT1 H
+ATOM 1118 H2 TIP3W 700 -9.768 3.244 12.025 1.00 0.00 WT1 H
+ATOM 1119 OH2 TIP3W 701 -15.786 4.709 -0.542 1.00 0.00 WT1 O
+ATOM 1120 H1 TIP3W 701 -15.683 3.731 -0.367 1.00 0.00 WT1 H
+ATOM 1121 H2 TIP3W 701 -16.357 4.762 -1.286 1.00 0.00 WT1 H
+ATOM 1122 OH2 TIP3W 702 -9.009 2.285 16.860 1.00 0.00 WT1 O
+ATOM 1123 H1 TIP3W 702 -9.487 1.765 17.522 1.00 0.00 WT1 H
+ATOM 1124 H2 TIP3W 702 -8.890 1.688 16.058 1.00 0.00 WT1 H
+ATOM 1125 OH2 TIP3W 704 -19.576 8.302 15.149 1.00 0.00 WT1 O
+ATOM 1126 H1 TIP3W 704 -19.939 8.283 15.973 1.00 0.00 WT1 H
+ATOM 1127 H2 TIP3W 704 -19.883 9.192 14.770 1.00 0.00 WT1 H
+ATOM 1128 OH2 TIP3W 706 -3.594 12.528 10.152 1.00 0.00 WT1 O
+ATOM 1129 H1 TIP3W 706 -4.347 12.159 9.648 1.00 0.00 WT1 H
+ATOM 1130 H2 TIP3W 706 -3.619 13.484 9.764 1.00 0.00 WT1 H
+ATOM 1131 OH2 TIP3W 707 -16.455 2.892 16.396 1.00 0.00 WT1 O
+ATOM 1132 H1 TIP3W 707 -17.087 3.008 15.714 1.00 0.00 WT1 H
+ATOM 1133 H2 TIP3W 707 -16.224 1.980 16.325 1.00 0.00 WT1 H
+ATOM 1134 OH2 TIP3W 708 -6.576 5.306 8.009 1.00 0.00 WT1 O
+ATOM 1135 H1 TIP3W 708 -5.622 5.118 7.754 1.00 0.00 WT1 H
+ATOM 1136 H2 TIP3W 708 -6.879 5.860 7.238 1.00 0.00 WT1 H
+ATOM 1137 OH2 TIP3W 710 -16.546 4.567 11.089 1.00 0.00 WT1 O
+ATOM 1138 H1 TIP3W 710 -16.148 4.946 11.867 1.00 0.00 WT1 H
+ATOM 1139 H2 TIP3W 710 -15.783 4.462 10.489 1.00 0.00 WT1 H
+ATOM 1140 OH2 TIP3W 715 -19.873 18.502 -12.355 1.00 0.00 WT1 O
+ATOM 1141 H1 TIP3W 715 -20.288 19.242 -11.904 1.00 0.00 WT1 H
+ATOM 1142 H2 TIP3W 715 -20.557 18.285 -13.030 1.00 0.00 WT1 H
+ATOM 1143 OH2 TIP3W 717 -18.704 16.226 -17.150 1.00 0.00 WT1 O
+ATOM 1144 H1 TIP3W 717 -17.855 15.709 -17.212 1.00 0.00 WT1 H
+ATOM 1145 H2 TIP3W 717 -18.507 16.835 -16.456 1.00 0.00 WT1 H
+ATOM 1146 OH2 TIP3W 721 -18.635 0.085 -3.095 1.00 0.00 WT1 O
+ATOM 1147 H1 TIP3W 721 -18.631 -0.637 -3.801 1.00 0.00 WT1 H
+ATOM 1148 H2 TIP3W 721 -19.469 -0.125 -2.648 1.00 0.00 WT1 H
+ATOM 1149 OH2 TIP3W 722 -18.726 9.313 5.788 1.00 0.00 WT1 O
+ATOM 1150 H1 TIP3W 722 -18.516 9.437 6.721 1.00 0.00 WT1 H
+ATOM 1151 H2 TIP3W 722 -18.676 8.349 5.671 1.00 0.00 WT1 H
+ATOM 1152 OH2 TIP3W 725 -12.318 8.738 16.328 1.00 0.00 WT1 O
+ATOM 1153 H1 TIP3W 725 -12.866 9.439 16.728 1.00 0.00 WT1 H
+ATOM 1154 H2 TIP3W 725 -11.440 9.076 16.421 1.00 0.00 WT1 H
+ATOM 1155 OH2 TIP3W 726 -16.711 9.191 12.156 1.00 0.00 WT1 O
+ATOM 1156 H1 TIP3W 726 -16.060 8.937 12.849 1.00 0.00 WT1 H
+ATOM 1157 H2 TIP3W 726 -17.195 8.404 11.937 1.00 0.00 WT1 H
+ATOM 1158 OH2 TIP3W 733 -20.388 3.957 21.159 1.00 0.00 WT1 O
+ATOM 1159 H1 TIP3W 733 -20.484 4.550 21.930 1.00 0.00 WT1 H
+ATOM 1160 H2 TIP3W 733 -21.174 4.087 20.538 1.00 0.00 WT1 H
+ATOM 1161 OH2 TIP3W 737 -16.252 0.415 7.406 1.00 0.00 WT1 O
+ATOM 1162 H1 TIP3W 737 -15.393 0.435 7.903 1.00 0.00 WT1 H
+ATOM 1163 H2 TIP3W 737 -15.956 0.116 6.510 1.00 0.00 WT1 H
+ATOM 1164 OH2 TIP3W 738 -18.524 1.353 -17.552 1.00 0.00 WT1 O
+ATOM 1165 H1 TIP3W 738 -18.902 1.901 -16.831 1.00 0.00 WT1 H
+ATOM 1166 H2 TIP3W 738 -19.292 0.846 -17.812 1.00 0.00 WT1 H
+ATOM 1167 OH2 TIP3W 740 -14.117 17.959 -14.063 1.00 0.00 WT1 O
+ATOM 1168 H1 TIP3W 740 -13.772 17.188 -14.494 1.00 0.00 WT1 H
+ATOM 1169 H2 TIP3W 740 -14.946 17.704 -13.668 1.00 0.00 WT1 H
+ATOM 1170 OH2 TIP3W 741 -10.973 2.425 -7.248 1.00 0.00 WT1 O
+ATOM 1171 H1 TIP3W 741 -10.917 1.468 -6.989 1.00 0.00 WT1 H
+ATOM 1172 H2 TIP3W 741 -11.738 2.700 -6.808 1.00 0.00 WT1 H
+ATOM 1173 OH2 TIP3W 743 -7.678 24.278 4.542 1.00 0.00 WT1 O
+ATOM 1174 H1 TIP3W 743 -8.588 23.884 4.690 1.00 0.00 WT1 H
+ATOM 1175 H2 TIP3W 743 -7.342 24.177 5.414 1.00 0.00 WT1 H
+ATOM 1176 OH2 TIP3W 744 -10.702 21.939 -12.698 1.00 0.00 WT1 O
+ATOM 1177 H1 TIP3W 744 -11.265 21.209 -13.031 1.00 0.00 WT1 H
+ATOM 1178 H2 TIP3W 744 -11.214 22.288 -12.029 1.00 0.00 WT1 H
+ATOM 1179 OH2 TIP3W 745 -11.936 22.970 1.983 1.00 0.00 WT1 O
+ATOM 1180 H1 TIP3W 745 -12.112 22.297 1.345 1.00 0.00 WT1 H
+ATOM 1181 H2 TIP3W 745 -10.965 22.873 2.124 1.00 0.00 WT1 H
+ATOM 1182 OH2 TIP3W 746 -19.146 10.295 -17.704 1.00 0.00 WT1 O
+ATOM 1183 H1 TIP3W 746 -18.887 10.127 -16.807 1.00 0.00 WT1 H
+ATOM 1184 H2 TIP3W 746 -19.087 11.292 -17.752 1.00 0.00 WT1 H
+ATOM 1185 OH2 TIP3W 747 -3.186 7.009 7.837 1.00 0.00 WT1 O
+ATOM 1186 H1 TIP3W 747 -3.204 6.041 8.154 1.00 0.00 WT1 H
+ATOM 1187 H2 TIP3W 747 -2.691 6.951 7.026 1.00 0.00 WT1 H
+ATOM 1188 OH2 TIP3W 748 -14.250 3.478 17.999 1.00 0.00 WT1 O
+ATOM 1189 H1 TIP3W 748 -13.970 4.363 18.270 1.00 0.00 WT1 H
+ATOM 1190 H2 TIP3W 748 -15.015 3.789 17.379 1.00 0.00 WT1 H
+ATOM 1191 OH2 TIP3W 749 -16.964 15.094 18.490 1.00 0.00 WT1 O
+ATOM 1192 H1 TIP3W 749 -17.276 15.762 19.110 1.00 0.00 WT1 H
+ATOM 1193 H2 TIP3W 749 -17.800 15.066 17.982 1.00 0.00 WT1 H
+ATOM 1194 OH2 TIP3W 750 -11.225 20.117 19.627 1.00 0.00 WT1 O
+ATOM 1195 H1 TIP3W 750 -11.393 20.935 20.044 1.00 0.00 WT1 H
+ATOM 1196 H2 TIP3W 750 -11.859 20.046 18.861 1.00 0.00 WT1 H
+ATOM 1197 OH2 TIP3W 757 -5.296 22.060 -7.134 1.00 0.00 WT1 O
+ATOM 1198 H1 TIP3W 757 -5.329 21.203 -7.546 1.00 0.00 WT1 H
+ATOM 1199 H2 TIP3W 757 -4.985 21.896 -6.194 1.00 0.00 WT1 H
+ATOM 1200 OH2 TIP3W 759 -15.983 4.661 -9.537 1.00 0.00 WT1 O
+ATOM 1201 H1 TIP3W 759 -15.738 4.263 -8.744 1.00 0.00 WT1 H
+ATOM 1202 H2 TIP3W 759 -15.872 5.629 -9.329 1.00 0.00 WT1 H
+ATOM 1203 OH2 TIP3W 761 -21.120 15.063 0.589 1.00 0.00 WT1 O
+ATOM 1204 H1 TIP3W 761 -21.335 15.957 0.272 1.00 0.00 WT1 H
+ATOM 1205 H2 TIP3W 761 -20.157 15.200 0.927 1.00 0.00 WT1 H
+ATOM 1206 OH2 TIP3W 763 -16.125 17.543 2.969 1.00 0.00 WT1 O
+ATOM 1207 H1 TIP3W 763 -15.540 16.988 2.518 1.00 0.00 WT1 H
+ATOM 1208 H2 TIP3W 763 -15.520 17.829 3.686 1.00 0.00 WT1 H
+ATOM 1209 OH2 TIP3W 765 -14.926 13.874 -5.224 1.00 0.00 WT1 O
+ATOM 1210 H1 TIP3W 765 -14.638 13.113 -4.783 1.00 0.00 WT1 H
+ATOM 1211 H2 TIP3W 765 -15.357 13.560 -6.051 1.00 0.00 WT1 H
+ATOM 1212 OH2 TIP3W 766 -19.290 21.111 -9.158 1.00 0.00 WT1 O
+ATOM 1213 H1 TIP3W 766 -19.840 21.215 -9.948 1.00 0.00 WT1 H
+ATOM 1214 H2 TIP3W 766 -19.273 22.045 -8.842 1.00 0.00 WT1 H
+ATOM 1215 OH2 TIP3W 767 -11.481 20.969 5.821 1.00 0.00 WT1 O
+ATOM 1216 H1 TIP3W 767 -11.722 20.615 6.700 1.00 0.00 WT1 H
+ATOM 1217 H2 TIP3W 767 -10.819 20.341 5.603 1.00 0.00 WT1 H
+ATOM 1218 OH2 TIP3W 768 -19.973 25.574 4.622 1.00 0.00 WT1 O
+ATOM 1219 H1 TIP3W 768 -20.107 25.430 5.603 1.00 0.00 WT1 H
+ATOM 1220 H2 TIP3W 768 -19.538 26.458 4.600 1.00 0.00 WT1 H
+ATOM 1221 OH2 TIP3W 778 -20.821 7.125 -15.435 1.00 0.00 WT1 O
+ATOM 1222 H1 TIP3W 778 -21.825 7.192 -15.474 1.00 0.00 WT1 H
+ATOM 1223 H2 TIP3W 778 -20.650 6.557 -14.652 1.00 0.00 WT1 H
+ATOM 1224 OH2 TIP3W 781 -16.614 26.782 -18.067 1.00 0.00 WT1 O
+ATOM 1225 H1 TIP3W 781 -15.691 27.015 -17.963 1.00 0.00 WT1 H
+ATOM 1226 H2 TIP3W 781 -16.618 26.486 -18.944 1.00 0.00 WT1 H
+ATOM 1227 OH2 TIP3W 782 -16.493 28.858 -2.421 1.00 0.00 WT1 O
+ATOM 1228 H1 TIP3W 782 -17.445 29.075 -2.308 1.00 0.00 WT1 H
+ATOM 1229 H2 TIP3W 782 -16.326 29.392 -3.219 1.00 0.00 WT1 H
+ATOM 1230 OH2 TIP3W 783 -15.493 21.261 -2.896 1.00 0.00 WT1 O
+ATOM 1231 H1 TIP3W 783 -14.957 21.978 -2.499 1.00 0.00 WT1 H
+ATOM 1232 H2 TIP3W 783 -16.440 21.636 -2.860 1.00 0.00 WT1 H
+ATOM 1233 OH2 TIP3W 785 -16.243 11.545 -3.339 1.00 0.00 WT1 O
+ATOM 1234 H1 TIP3W 785 -16.821 11.509 -2.601 1.00 0.00 WT1 H
+ATOM 1235 H2 TIP3W 785 -15.430 11.937 -2.971 1.00 0.00 WT1 H
+ATOM 1236 OH2 TIP3W 786 -10.485 26.381 0.541 1.00 0.00 WT1 O
+ATOM 1237 H1 TIP3W 786 -10.703 25.975 1.412 1.00 0.00 WT1 H
+ATOM 1238 H2 TIP3W 786 -10.103 27.225 0.839 1.00 0.00 WT1 H
+ATOM 1239 OH2 TIP3W 788 -1.019 17.218 6.947 1.00 0.00 WT1 O
+ATOM 1240 H1 TIP3W 788 -1.642 16.601 7.370 1.00 0.00 WT1 H
+ATOM 1241 H2 TIP3W 788 -1.506 17.526 6.159 1.00 0.00 WT1 H
+ATOM 1242 OH2 TIP3W 792 -19.099 19.339 17.859 1.00 0.00 WT1 O
+ATOM 1243 H1 TIP3W 792 -19.143 20.215 18.252 1.00 0.00 WT1 H
+ATOM 1244 H2 TIP3W 792 -18.342 18.904 18.296 1.00 0.00 WT1 H
+ATOM 1245 OH2 TIP3W 796 -12.420 8.717 19.238 1.00 0.00 WT1 O
+ATOM 1246 H1 TIP3W 796 -12.350 7.840 18.818 1.00 0.00 WT1 H
+ATOM 1247 H2 TIP3W 796 -11.692 9.208 18.859 1.00 0.00 WT1 H
+ATOM 1248 OH2 TIP3W 801 -16.178 24.499 -20.775 1.00 0.00 WT1 O
+ATOM 1249 H1 TIP3W 801 -15.472 25.029 -21.222 1.00 0.00 WT1 H
+ATOM 1250 H2 TIP3W 801 -15.721 23.886 -20.133 1.00 0.00 WT1 H
+ATOM 1251 OH2 TIP3W 803 -11.554 22.749 -8.397 1.00 0.00 WT1 O
+ATOM 1252 H1 TIP3W 803 -12.534 22.524 -8.310 1.00 0.00 WT1 H
+ATOM 1253 H2 TIP3W 803 -11.398 23.491 -7.718 1.00 0.00 WT1 H
+ATOM 1254 OH2 TIP3W 804 -10.864 26.005 -11.901 1.00 0.00 WT1 O
+ATOM 1255 H1 TIP3W 804 -10.758 26.997 -11.892 1.00 0.00 WT1 H
+ATOM 1256 H2 TIP3W 804 -10.736 25.812 -12.835 1.00 0.00 WT1 H
+ATOM 1257 OH2 TIP3W 806 -15.104 11.610 3.526 1.00 0.00 WT1 O
+ATOM 1258 H1 TIP3W 806 -15.534 10.780 3.597 1.00 0.00 WT1 H
+ATOM 1259 H2 TIP3W 806 -14.896 11.585 2.588 1.00 0.00 WT1 H
+ATOM 1260 OH2 TIP3W 807 -18.159 23.723 -14.965 1.00 0.00 WT1 O
+ATOM 1261 H1 TIP3W 807 -17.473 23.037 -14.634 1.00 0.00 WT1 H
+ATOM 1262 H2 TIP3W 807 -17.599 24.476 -15.010 1.00 0.00 WT1 H
+ATOM 1263 OH2 TIP3W 808 -18.145 27.879 8.629 1.00 0.00 WT1 O
+ATOM 1264 H1 TIP3W 808 -17.675 27.457 9.381 1.00 0.00 WT1 H
+ATOM 1265 H2 TIP3W 808 -17.956 28.850 8.722 1.00 0.00 WT1 H
+ATOM 1266 OH2 TIP3W 809 -14.514 13.243 -2.213 1.00 0.00 WT1 O
+ATOM 1267 H1 TIP3W 809 -14.110 13.726 -1.496 1.00 0.00 WT1 H
+ATOM 1268 H2 TIP3W 809 -13.698 12.999 -2.656 1.00 0.00 WT1 H
+ATOM 1269 OH2 TIP3W 810 -12.203 24.902 9.580 1.00 0.00 WT1 O
+ATOM 1270 H1 TIP3W 810 -12.427 24.264 10.272 1.00 0.00 WT1 H
+ATOM 1271 H2 TIP3W 810 -11.401 24.564 9.265 1.00 0.00 WT1 H
+ATOM 1272 OH2 TIP3W 811 -3.574 17.531 15.581 1.00 0.00 WT1 O
+ATOM 1273 H1 TIP3W 811 -3.045 16.835 15.102 1.00 0.00 WT1 H
+ATOM 1274 H2 TIP3W 811 -3.414 17.253 16.545 1.00 0.00 WT1 H
+ATOM 1275 OH2 TIP3W 813 -4.002 11.457 12.712 1.00 0.00 WT1 O
+ATOM 1276 H1 TIP3W 813 -3.873 11.806 11.837 1.00 0.00 WT1 H
+ATOM 1277 H2 TIP3W 813 -3.818 10.542 12.637 1.00 0.00 WT1 H
+ATOM 1278 OH2 TIP3W 817 5.300 13.350 -19.496 1.00 0.00 WT1 O
+ATOM 1279 H1 TIP3W 817 4.872 13.348 -18.623 1.00 0.00 WT1 H
+ATOM 1280 H2 TIP3W 817 6.153 13.749 -19.319 1.00 0.00 WT1 H
+ATOM 1281 OH2 TIP3W 822 -21.839 -27.938 -12.615 1.00 0.00 WT1 O
+ATOM 1282 H1 TIP3W 822 -22.160 -28.839 -12.855 1.00 0.00 WT1 H
+ATOM 1283 H2 TIP3W 822 -21.081 -27.822 -13.204 1.00 0.00 WT1 H
+ATOM 1284 OH2 TIP3W 827 -18.408 25.211 0.756 1.00 0.00 WT1 O
+ATOM 1285 H1 TIP3W 827 -18.090 25.403 1.625 1.00 0.00 WT1 H
+ATOM 1286 H2 TIP3W 827 -18.410 26.085 0.316 1.00 0.00 WT1 H
+ATOM 1287 OH2 TIP3W 828 -12.446 26.416 -1.651 1.00 0.00 WT1 O
+ATOM 1288 H1 TIP3W 828 -11.884 26.459 -0.823 1.00 0.00 WT1 H
+ATOM 1289 H2 TIP3W 828 -13.309 26.596 -1.309 1.00 0.00 WT1 H
+ATOM 1290 OH2 TIP3W 829 -18.569 27.944 5.506 1.00 0.00 WT1 O
+ATOM 1291 H1 TIP3W 829 -18.916 27.935 6.371 1.00 0.00 WT1 H
+ATOM 1292 H2 TIP3W 829 -17.588 27.828 5.482 1.00 0.00 WT1 H
+ATOM 1293 OH2 TIP3W 830 -11.759 25.115 6.821 1.00 0.00 WT1 O
+ATOM 1294 H1 TIP3W 830 -12.592 25.012 6.297 1.00 0.00 WT1 H
+ATOM 1295 H2 TIP3W 830 -12.095 25.126 7.735 1.00 0.00 WT1 H
+ATOM 1296 OH2 TIP3W 831 -17.673 22.702 10.052 1.00 0.00 WT1 O
+ATOM 1297 H1 TIP3W 831 -16.952 23.077 9.570 1.00 0.00 WT1 H
+ATOM 1298 H2 TIP3W 831 -18.063 22.147 9.421 1.00 0.00 WT1 H
+ATOM 1299 OH2 TIP3W 835 -6.865 -29.423 21.840 1.00 0.00 WT1 O
+ATOM 1300 H1 TIP3W 835 -6.669 -29.122 22.792 1.00 0.00 WT1 H
+ATOM 1301 H2 TIP3W 835 -7.638 -28.937 21.582 1.00 0.00 WT1 H
+ATOM 1302 OH2 TIP3W 843 -18.550 26.283 -12.773 1.00 0.00 WT1 O
+ATOM 1303 H1 TIP3W 843 -18.494 27.042 -12.134 1.00 0.00 WT1 H
+ATOM 1304 H2 TIP3W 843 -18.390 26.796 -13.657 1.00 0.00 WT1 H
+ATOM 1305 OH2 TIP3W 846 -21.524 25.043 -17.554 1.00 0.00 WT1 O
+ATOM 1306 H1 TIP3W 846 -22.005 24.498 -18.188 1.00 0.00 WT1 H
+ATOM 1307 H2 TIP3W 846 -22.210 25.788 -17.391 1.00 0.00 WT1 H
+ATOM 1308 OH2 TIP3W 847 -12.367 24.480 -4.014 1.00 0.00 WT1 O
+ATOM 1309 H1 TIP3W 847 -13.285 24.265 -3.899 1.00 0.00 WT1 H
+ATOM 1310 H2 TIP3W 847 -12.207 25.166 -3.298 1.00 0.00 WT1 H
+ATOM 1311 OH2 TIP3W 849 -17.230 -27.019 -7.148 1.00 0.00 WT1 O
+ATOM 1312 H1 TIP3W 849 -16.702 -26.343 -6.733 1.00 0.00 WT1 H
+ATOM 1313 H2 TIP3W 849 -16.994 -27.785 -6.657 1.00 0.00 WT1 H
+ATOM 1314 OH2 TIP3W 851 -6.621 29.882 4.698 1.00 0.00 WT1 O
+ATOM 1315 H1 TIP3W 851 -6.848 29.977 3.751 1.00 0.00 WT1 H
+ATOM 1316 H2 TIP3W 851 -5.691 29.714 4.664 1.00 0.00 WT1 H
+ATOM 1317 OH2 TIP3W 852 -20.697 -26.822 6.347 1.00 0.00 WT1 O
+ATOM 1318 H1 TIP3W 852 -20.648 -25.905 6.069 1.00 0.00 WT1 H
+ATOM 1319 H2 TIP3W 852 -21.571 -27.095 5.951 1.00 0.00 WT1 H
+ATOM 1320 OH2 TIP3W 854 -19.905 -29.859 17.958 1.00 0.00 WT1 O
+ATOM 1321 H1 TIP3W 854 -19.988 -30.817 17.800 1.00 0.00 WT1 H
+ATOM 1322 H2 TIP3W 854 -19.216 -29.750 18.676 1.00 0.00 WT1 H
+ATOM 1323 OH2 TIP3W 865 -7.258 20.822 -10.225 1.00 0.00 WT1 O
+ATOM 1324 H1 TIP3W 865 -7.168 21.680 -9.804 1.00 0.00 WT1 H
+ATOM 1325 H2 TIP3W 865 -6.751 20.968 -11.055 1.00 0.00 WT1 H
+ATOM 1326 OH2 TIP3W 867 -11.882 -25.686 -7.311 1.00 0.00 WT1 O
+ATOM 1327 H1 TIP3W 867 -11.685 -25.495 -6.358 1.00 0.00 WT1 H
+ATOM 1328 H2 TIP3W 867 -12.459 -26.435 -7.196 1.00 0.00 WT1 H
+ATOM 1329 OH2 TIP3W 870 -7.765 25.176 9.873 1.00 0.00 WT1 O
+ATOM 1330 H1 TIP3W 870 -7.581 25.081 8.921 1.00 0.00 WT1 H
+ATOM 1331 H2 TIP3W 870 -8.585 24.590 9.963 1.00 0.00 WT1 H
+ATOM 1332 OH2 TIP3W 873 -9.338 26.195 13.124 1.00 0.00 WT1 O
+ATOM 1333 H1 TIP3W 873 -9.975 26.565 13.793 1.00 0.00 WT1 H
+ATOM 1334 H2 TIP3W 873 -8.471 26.720 13.228 1.00 0.00 WT1 H
+ATOM 1335 OH2 TIP3W 875 -15.358 30.574 6.841 1.00 0.00 WT1 O
+ATOM 1336 H1 TIP3W 875 -16.216 30.315 6.929 1.00 0.00 WT1 H
+ATOM 1337 H2 TIP3W 875 -15.511 31.441 6.420 1.00 0.00 WT1 H
+ATOM 1338 OH2 TIP3W 878 -22.472 15.020 18.319 1.00 0.00 WT1 O
+ATOM 1339 H1 TIP3W 878 -22.240 15.984 18.482 1.00 0.00 WT1 H
+ATOM 1340 H2 TIP3W 878 -22.526 14.929 17.361 1.00 0.00 WT1 H
+ATOM 1341 OH2 TIP3W 880 -21.471 22.640 15.738 1.00 0.00 WT1 O
+ATOM 1342 H1 TIP3W 880 -22.381 22.604 15.567 1.00 0.00 WT1 H
+ATOM 1343 H2 TIP3W 880 -21.211 23.514 15.373 1.00 0.00 WT1 H
+ATOM 1344 OH2 TIP3W 883 -13.640 15.830 -21.986 1.00 0.00 WT1 O
+ATOM 1345 H1 TIP3W 883 -13.271 15.345 -21.231 1.00 0.00 WT1 H
+ATOM 1346 H2 TIP3W 883 -13.900 16.676 -21.564 1.00 0.00 WT1 H
+ATOM 1347 OH2 TIP3W 885 -15.561 22.572 -16.959 1.00 0.00 WT1 O
+ATOM 1348 H1 TIP3W 885 -16.445 23.084 -17.012 1.00 0.00 WT1 H
+ATOM 1349 H2 TIP3W 885 -15.721 22.036 -16.143 1.00 0.00 WT1 H
+ATOM 1350 OH2 TIP3W 887 4.311 -20.313 -22.515 1.00 0.00 WT1 O
+ATOM 1351 H1 TIP3W 887 3.928 -21.127 -22.890 1.00 0.00 WT1 H
+ATOM 1352 H2 TIP3W 887 5.289 -20.480 -22.641 1.00 0.00 WT1 H
+ATOM 1353 OH2 TIP3W 889 -20.397 -30.701 1.684 1.00 0.00 WT1 O
+ATOM 1354 H1 TIP3W 889 -21.122 -31.316 1.516 1.00 0.00 WT1 H
+ATOM 1355 H2 TIP3W 889 -20.461 -30.602 2.706 1.00 0.00 WT1 H
+ATOM 1356 OH2 TIP3W 891 -10.823 -12.793 -13.236 1.00 0.00 WT1 O
+ATOM 1357 H1 TIP3W 891 -10.307 -12.002 -13.328 1.00 0.00 WT1 H
+ATOM 1358 H2 TIP3W 891 -10.151 -13.502 -13.293 1.00 0.00 WT1 H
+ATOM 1359 OH2 TIP3W 894 -14.722 -21.804 5.756 1.00 0.00 WT1 O
+ATOM 1360 H1 TIP3W 894 -15.117 -21.132 6.313 1.00 0.00 WT1 H
+ATOM 1361 H2 TIP3W 894 -15.432 -22.415 5.589 1.00 0.00 WT1 H
+ATOM 1362 OH2 TIP3W 895 -17.939 -25.775 14.340 1.00 0.00 WT1 O
+ATOM 1363 H1 TIP3W 895 -18.744 -26.231 14.004 1.00 0.00 WT1 H
+ATOM 1364 H2 TIP3W 895 -17.956 -24.921 13.896 1.00 0.00 WT1 H
+ATOM 1365 OH2 TIP3W 897 -11.693 -23.991 7.121 1.00 0.00 WT1 O
+ATOM 1366 H1 TIP3W 897 -11.847 -24.620 6.344 1.00 0.00 WT1 H
+ATOM 1367 H2 TIP3W 897 -12.225 -24.436 7.780 1.00 0.00 WT1 H
+ATOM 1368 OH2 TIP3W 899 -15.501 -20.084 21.707 1.00 0.00 WT1 O
+ATOM 1369 H1 TIP3W 899 -15.558 -20.892 22.286 1.00 0.00 WT1 H
+ATOM 1370 H2 TIP3W 899 -14.589 -20.045 21.449 1.00 0.00 WT1 H
+ATOM 1371 OH2 TIP3W 902 -12.267 24.924 13.767 1.00 0.00 WT1 O
+ATOM 1372 H1 TIP3W 902 -11.569 24.456 14.332 1.00 0.00 WT1 H
+ATOM 1373 H2 TIP3W 902 -12.633 24.290 13.136 1.00 0.00 WT1 H
+ATOM 1374 OH2 TIP3W 905 -2.514 29.262 -18.755 1.00 0.00 WT1 O
+ATOM 1375 H1 TIP3W 905 -1.600 29.098 -18.796 1.00 0.00 WT1 H
+ATOM 1376 H2 TIP3W 905 -2.810 28.904 -19.560 1.00 0.00 WT1 H
+ATOM 1377 OH2 TIP3W 906 -15.559 -30.183 -9.783 1.00 0.00 WT1 O
+ATOM 1378 H1 TIP3W 906 -16.401 -29.606 -9.659 1.00 0.00 WT1 H
+ATOM 1379 H2 TIP3W 906 -15.894 -31.004 -9.452 1.00 0.00 WT1 H
+ATOM 1380 OH2 TIP3W 907 -4.774 -26.636 -17.318 1.00 0.00 WT1 O
+ATOM 1381 H1 TIP3W 907 -5.366 -26.091 -17.814 1.00 0.00 WT1 H
+ATOM 1382 H2 TIP3W 907 -5.035 -27.538 -17.525 1.00 0.00 WT1 H
+ATOM 1383 OH2 TIP3W 908 -18.558 -24.708 -10.418 1.00 0.00 WT1 O
+ATOM 1384 H1 TIP3W 908 -18.009 -25.214 -11.056 1.00 0.00 WT1 H
+ATOM 1385 H2 TIP3W 908 -19.415 -25.087 -10.650 1.00 0.00 WT1 H
+ATOM 1386 OH2 TIP3W 910 -17.108 25.179 -2.834 1.00 0.00 WT1 O
+ATOM 1387 H1 TIP3W 910 -17.626 24.307 -2.756 1.00 0.00 WT1 H
+ATOM 1388 H2 TIP3W 910 -17.833 25.720 -3.287 1.00 0.00 WT1 H
+ATOM 1389 OH2 TIP3W 911 -11.537 -22.527 3.688 1.00 0.00 WT1 O
+ATOM 1390 H1 TIP3W 911 -11.191 -22.926 4.461 1.00 0.00 WT1 H
+ATOM 1391 H2 TIP3W 911 -10.681 -22.312 3.189 1.00 0.00 WT1 H
+ATOM 1392 OH2 TIP3W 912 -0.453 -29.521 -3.351 1.00 0.00 WT1 O
+ATOM 1393 H1 TIP3W 912 0.343 -29.811 -2.932 1.00 0.00 WT1 H
+ATOM 1394 H2 TIP3W 912 -1.100 -29.579 -2.633 1.00 0.00 WT1 H
+ATOM 1395 OH2 TIP3W 913 -11.245 28.325 -3.327 1.00 0.00 WT1 O
+ATOM 1396 H1 TIP3W 913 -11.907 28.882 -3.736 1.00 0.00 WT1 H
+ATOM 1397 H2 TIP3W 913 -11.710 27.708 -2.763 1.00 0.00 WT1 H
+ATOM 1398 OH2 TIP3W 915 -5.954 19.933 -1.038 1.00 0.00 WT1 O
+ATOM 1399 H1 TIP3W 915 -5.028 20.098 -1.317 1.00 0.00 WT1 H
+ATOM 1400 H2 TIP3W 915 -6.144 20.696 -0.511 1.00 0.00 WT1 H
+ATOM 1401 OH2 TIP3W 916 -1.611 -25.107 7.382 1.00 0.00 WT1 O
+ATOM 1402 H1 TIP3W 916 -0.805 -25.677 7.225 1.00 0.00 WT1 H
+ATOM 1403 H2 TIP3W 916 -1.297 -24.588 8.111 1.00 0.00 WT1 H
+ATOM 1404 OH2 TIP3W 924 -10.093 -22.956 -20.979 1.00 0.00 WT1 O
+ATOM 1405 H1 TIP3W 924 -9.678 -22.567 -20.207 1.00 0.00 WT1 H
+ATOM 1406 H2 TIP3W 924 -9.604 -23.766 -21.155 1.00 0.00 WT1 H
+ATOM 1407 OH2 TIP3W 926 -15.953 30.130 -20.995 1.00 0.00 WT1 O
+ATOM 1408 H1 TIP3W 926 -16.323 29.244 -21.035 1.00 0.00 WT1 H
+ATOM 1409 H2 TIP3W 926 -15.235 29.996 -20.347 1.00 0.00 WT1 H
+ATOM 1410 OH2 TIP3W 927 -11.409 -22.797 -15.266 1.00 0.00 WT1 O
+ATOM 1411 H1 TIP3W 927 -12.143 -22.235 -15.141 1.00 0.00 WT1 H
+ATOM 1412 H2 TIP3W 927 -11.720 -23.619 -14.896 1.00 0.00 WT1 H
+ATOM 1413 OH2 TIP3W 928 -20.748 -29.201 -7.796 1.00 0.00 WT1 O
+ATOM 1414 H1 TIP3W 928 -20.385 -28.326 -7.649 1.00 0.00 WT1 H
+ATOM 1415 H2 TIP3W 928 -20.469 -29.408 -8.772 1.00 0.00 WT1 H
+ATOM 1416 OH2 TIP3W 929 -6.453 -19.814 -6.286 1.00 0.00 WT1 O
+ATOM 1417 H1 TIP3W 929 -7.234 -19.638 -6.803 1.00 0.00 WT1 H
+ATOM 1418 H2 TIP3W 929 -6.699 -20.531 -5.683 1.00 0.00 WT1 H
+ATOM 1419 OH2 TIP3W 930 -20.687 -20.783 -5.301 1.00 0.00 WT1 O
+ATOM 1420 H1 TIP3W 930 -21.447 -20.729 -5.889 1.00 0.00 WT1 H
+ATOM 1421 H2 TIP3W 930 -20.328 -19.872 -5.339 1.00 0.00 WT1 H
+ATOM 1422 OH2 TIP3W 931 -6.777 30.411 1.795 1.00 0.00 WT1 O
+ATOM 1423 H1 TIP3W 931 -7.573 30.843 1.563 1.00 0.00 WT1 H
+ATOM 1424 H2 TIP3W 931 -6.269 30.700 1.073 1.00 0.00 WT1 H
+ATOM 1425 OH2 TIP3W 932 -13.366 -18.503 -5.854 1.00 0.00 WT1 O
+ATOM 1426 H1 TIP3W 932 -12.524 -18.209 -5.456 1.00 0.00 WT1 H
+ATOM 1427 H2 TIP3W 932 -13.192 -19.408 -6.092 1.00 0.00 WT1 H
+ATOM 1428 OH2 TIP3W 933 -19.128 -22.539 -0.775 1.00 0.00 WT1 O
+ATOM 1429 H1 TIP3W 933 -18.188 -22.391 -0.540 1.00 0.00 WT1 H
+ATOM 1430 H2 TIP3W 933 -19.138 -22.218 -1.699 1.00 0.00 WT1 H
+ATOM 1431 OH2 TIP3W 934 -18.492 31.803 3.733 1.00 0.00 WT1 O
+ATOM 1432 H1 TIP3W 934 -19.031 31.489 4.490 1.00 0.00 WT1 H
+ATOM 1433 H2 TIP3W 934 -19.066 31.605 2.954 1.00 0.00 WT1 H
+ATOM 1434 OH2 TIP3W 935 -17.182 30.348 0.689 1.00 0.00 WT1 O
+ATOM 1435 H1 TIP3W 935 -18.112 30.568 0.764 1.00 0.00 WT1 H
+ATOM 1436 H2 TIP3W 935 -17.020 29.982 -0.210 1.00 0.00 WT1 H
+ATOM 1437 OH2 TIP3W 936 -19.662 -28.264 3.765 1.00 0.00 WT1 O
+ATOM 1438 H1 TIP3W 936 -19.028 -27.861 3.182 1.00 0.00 WT1 H
+ATOM 1439 H2 TIP3W 936 -19.921 -27.577 4.398 1.00 0.00 WT1 H
+ATOM 1440 OH2 TIP3W 940 -21.836 -29.469 10.267 1.00 0.00 WT1 O
+ATOM 1441 H1 TIP3W 940 -21.842 -29.898 11.121 1.00 0.00 WT1 H
+ATOM 1442 H2 TIP3W 940 -22.195 -28.598 10.549 1.00 0.00 WT1 H
+ATOM 1443 OH2 TIP3W 941 -11.919 -19.973 12.309 1.00 0.00 WT1 O
+ATOM 1444 H1 TIP3W 941 -12.712 -19.459 12.033 1.00 0.00 WT1 H
+ATOM 1445 H2 TIP3W 941 -11.647 -19.462 13.020 1.00 0.00 WT1 H
+ATOM 1446 OH2 TIP3W 942 -4.145 -16.273 -19.354 1.00 0.00 WT1 O
+ATOM 1447 H1 TIP3W 942 -3.976 -15.919 -20.226 1.00 0.00 WT1 H
+ATOM 1448 H2 TIP3W 942 -3.473 -17.000 -19.233 1.00 0.00 WT1 H
+ATOM 1449 OH2 TIP3W 947 -7.156 -29.133 -15.787 1.00 0.00 WT1 O
+ATOM 1450 H1 TIP3W 947 -7.128 -29.666 -15.037 1.00 0.00 WT1 H
+ATOM 1451 H2 TIP3W 947 -6.653 -29.667 -16.424 1.00 0.00 WT1 H
+ATOM 1452 OH2 TIP3W 948 -9.452 -27.872 -16.635 1.00 0.00 WT1 O
+ATOM 1453 H1 TIP3W 948 -10.152 -28.475 -16.256 1.00 0.00 WT1 H
+ATOM 1454 H2 TIP3W 948 -8.627 -28.245 -16.229 1.00 0.00 WT1 H
+ATOM 1455 OH2 TIP3W 949 -16.878 -27.981 1.224 1.00 0.00 WT1 O
+ATOM 1456 H1 TIP3W 949 -16.584 -27.704 2.106 1.00 0.00 WT1 H
+ATOM 1457 H2 TIP3W 949 -17.429 -27.239 0.950 1.00 0.00 WT1 H
+ATOM 1458 OH2 TIP3W 950 -6.265 -12.912 -7.324 1.00 0.00 WT1 O
+ATOM 1459 H1 TIP3W 950 -5.626 -13.248 -8.002 1.00 0.00 WT1 H
+ATOM 1460 H2 TIP3W 950 -5.732 -12.275 -6.806 1.00 0.00 WT1 H
+ATOM 1461 OH2 TIP3W 951 -12.291 -18.341 -8.874 1.00 0.00 WT1 O
+ATOM 1462 H1 TIP3W 951 -11.994 -18.340 -7.968 1.00 0.00 WT1 H
+ATOM 1463 H2 TIP3W 951 -13.264 -18.181 -8.844 1.00 0.00 WT1 H
+ATOM 1464 OH2 TIP3W 952 -6.578 -14.610 -11.784 1.00 0.00 WT1 O
+ATOM 1465 H1 TIP3W 952 -5.891 -14.705 -12.510 1.00 0.00 WT1 H
+ATOM 1466 H2 TIP3W 952 -7.400 -14.886 -12.252 1.00 0.00 WT1 H
+ATOM 1467 OH2 TIP3W 953 -7.188 -30.855 -4.948 1.00 0.00 WT1 O
+ATOM 1468 H1 TIP3W 953 -6.570 -30.456 -5.628 1.00 0.00 WT1 H
+ATOM 1469 H2 TIP3W 953 -8.012 -30.396 -5.085 1.00 0.00 WT1 H
+ATOM 1470 OH2 TIP3W 954 -19.531 -20.305 19.502 1.00 0.00 WT1 O
+ATOM 1471 H1 TIP3W 954 -19.952 -20.213 20.357 1.00 0.00 WT1 H
+ATOM 1472 H2 TIP3W 954 -19.942 -19.630 18.996 1.00 0.00 WT1 H
+ATOM 1473 OH2 TIP3W 955 -15.528 30.101 10.979 1.00 0.00 WT1 O
+ATOM 1474 H1 TIP3W 955 -14.741 29.845 11.422 1.00 0.00 WT1 H
+ATOM 1475 H2 TIP3W 955 -15.253 30.953 10.564 1.00 0.00 WT1 H
+ATOM 1476 OH2 TIP3W 961 -15.283 -17.045 21.836 1.00 0.00 WT1 O
+ATOM 1477 H1 TIP3W 961 -15.962 -16.595 22.435 1.00 0.00 WT1 H
+ATOM 1478 H2 TIP3W 961 -15.726 -17.812 21.484 1.00 0.00 WT1 H
+ATOM 1479 OH2 TIP3W 962 -10.817 -16.905 22.404 1.00 0.00 WT1 O
+ATOM 1480 H1 TIP3W 962 -10.424 -17.787 22.586 1.00 0.00 WT1 H
+ATOM 1481 H2 TIP3W 962 -10.667 -16.414 23.185 1.00 0.00 WT1 H
+ATOM 1482 OH2 TIP3W 964 -14.756 -12.656 -21.199 1.00 0.00 WT1 O
+ATOM 1483 H1 TIP3W 964 -15.329 -12.537 -21.947 1.00 0.00 WT1 H
+ATOM 1484 H2 TIP3W 964 -14.257 -13.484 -21.309 1.00 0.00 WT1 H
+ATOM 1485 OH2 TIP3W 969 -18.010 27.490 -15.245 1.00 0.00 WT1 O
+ATOM 1486 H1 TIP3W 969 -18.628 27.425 -16.015 1.00 0.00 WT1 H
+ATOM 1487 H2 TIP3W 969 -17.248 27.098 -15.584 1.00 0.00 WT1 H
+ATOM 1488 OH2 TIP3W 970 -8.923 -5.975 -16.665 1.00 0.00 WT1 O
+ATOM 1489 H1 TIP3W 970 -8.735 -6.146 -15.712 1.00 0.00 WT1 H
+ATOM 1490 H2 TIP3W 970 -9.231 -5.032 -16.662 1.00 0.00 WT1 H
+ATOM 1491 OH2 TIP3W 972 -7.559 -21.158 -13.388 1.00 0.00 WT1 O
+ATOM 1492 H1 TIP3W 972 -6.950 -21.454 -14.090 1.00 0.00 WT1 H
+ATOM 1493 H2 TIP3W 972 -7.657 -20.213 -13.649 1.00 0.00 WT1 H
+ATOM 1494 OH2 TIP3W 974 -12.312 -20.959 -2.235 1.00 0.00 WT1 O
+ATOM 1495 H1 TIP3W 974 -11.693 -21.334 -1.540 1.00 0.00 WT1 H
+ATOM 1496 H2 TIP3W 974 -12.242 -21.516 -2.956 1.00 0.00 WT1 H
+ATOM 1497 OH2 TIP3W 975 -11.113 -26.332 -1.492 1.00 0.00 WT1 O
+ATOM 1498 H1 TIP3W 975 -10.540 -26.740 -0.763 1.00 0.00 WT1 H
+ATOM 1499 H2 TIP3W 975 -12.032 -26.468 -1.094 1.00 0.00 WT1 H
+ATOM 1500 OH2 TIP3W 977 -14.268 -17.123 1.956 1.00 0.00 WT1 O
+ATOM 1501 H1 TIP3W 977 -13.596 -17.328 2.542 1.00 0.00 WT1 H
+ATOM 1502 H2 TIP3W 977 -13.850 -16.454 1.370 1.00 0.00 WT1 H
+ATOM 1503 OH2 TIP3W 978 -19.039 -9.841 19.951 1.00 0.00 WT1 O
+ATOM 1504 H1 TIP3W 978 -19.924 -9.797 20.290 1.00 0.00 WT1 H
+ATOM 1505 H2 TIP3W 978 -19.121 -9.703 18.983 1.00 0.00 WT1 H
+ATOM 1506 OH2 TIP3W 985 8.282 -3.673 -20.463 1.00 0.00 WT1 O
+ATOM 1507 H1 TIP3W 985 8.405 -2.985 -21.175 1.00 0.00 WT1 H
+ATOM 1508 H2 TIP3W 985 8.929 -4.364 -20.710 1.00 0.00 WT1 H
+ATOM 1509 OH2 TIP3W 988 -8.674 -5.945 -20.908 1.00 0.00 WT1 O
+ATOM 1510 H1 TIP3W 988 -8.919 -5.019 -20.655 1.00 0.00 WT1 H
+ATOM 1511 H2 TIP3W 988 -9.098 -6.491 -20.194 1.00 0.00 WT1 H
+ATOM 1512 OH2 TIP3W 989 -11.421 0.453 -21.858 1.00 0.00 WT1 O
+ATOM 1513 H1 TIP3W 989 -11.203 -0.372 -22.220 1.00 0.00 WT1 H
+ATOM 1514 H2 TIP3W 989 -11.680 0.262 -20.953 1.00 0.00 WT1 H
+ATOM 1515 OH2 TIP3W 990 1.863 3.993 -15.310 1.00 0.00 WT1 O
+ATOM 1516 H1 TIP3W 990 2.848 4.144 -15.337 1.00 0.00 WT1 H
+ATOM 1517 H2 TIP3W 990 1.556 3.925 -16.252 1.00 0.00 WT1 H
+ATOM 1518 OH2 TIP3W 991 -8.251 2.590 -7.535 1.00 0.00 WT1 O
+ATOM 1519 H1 TIP3W 991 -9.222 2.461 -7.455 1.00 0.00 WT1 H
+ATOM 1520 H2 TIP3W 991 -8.176 2.823 -8.473 1.00 0.00 WT1 H
+ATOM 1521 OH2 TIP3W 992 -1.578 -29.137 -8.021 1.00 0.00 WT1 O
+ATOM 1522 H1 TIP3W 992 -2.196 -28.371 -8.110 1.00 0.00 WT1 H
+ATOM 1523 H2 TIP3W 992 -0.818 -28.815 -8.445 1.00 0.00 WT1 H
+ATOM 1524 OH2 TIP3W 994 -5.276 -19.682 7.123 1.00 0.00 WT1 O
+ATOM 1525 H1 TIP3W 994 -6.105 -19.246 7.397 1.00 0.00 WT1 H
+ATOM 1526 H2 TIP3W 994 -5.529 -20.551 6.745 1.00 0.00 WT1 H
+ATOM 1527 OH2 TIP3W 995 -15.786 -15.748 -6.010 1.00 0.00 WT1 O
+ATOM 1528 H1 TIP3W 995 -15.443 -15.758 -6.867 1.00 0.00 WT1 H
+ATOM 1529 H2 TIP3W 995 -15.477 -14.905 -5.626 1.00 0.00 WT1 H
+ATOM 1530 OH2 TIP3W 996 -16.806 -14.891 0.830 1.00 0.00 WT1 O
+ATOM 1531 H1 TIP3W 996 -17.480 -15.081 0.147 1.00 0.00 WT1 H
+ATOM 1532 H2 TIP3W 996 -16.836 -13.922 0.900 1.00 0.00 WT1 H
+ATOM 1533 OH2 TIP3W1007 -7.983 -14.297 -19.981 1.00 0.00 WT1 O
+ATOM 1534 H1 TIP3W1007 -8.311 -14.752 -19.231 1.00 0.00 WT1 H
+ATOM 1535 H2 TIP3W1007 -8.744 -13.801 -20.316 1.00 0.00 WT1 H
+ATOM 1536 OH2 TIP3W1011 -17.833 -12.268 -17.719 1.00 0.00 WT1 O
+ATOM 1537 H1 TIP3W1011 -17.817 -11.354 -17.348 1.00 0.00 WT1 H
+ATOM 1538 H2 TIP3W1011 -16.923 -12.376 -17.993 1.00 0.00 WT1 H
+ATOM 1539 OH2 TIP3W1012 -13.336 -10.004 5.210 1.00 0.00 WT1 O
+ATOM 1540 H1 TIP3W1012 -14.162 -9.555 5.111 1.00 0.00 WT1 H
+ATOM 1541 H2 TIP3W1012 -13.443 -10.481 6.059 1.00 0.00 WT1 H
+ATOM 1542 OH2 TIP3W1013 -20.971 -15.052 -8.839 1.00 0.00 WT1 O
+ATOM 1543 H1 TIP3W1013 -21.361 -15.927 -8.774 1.00 0.00 WT1 H
+ATOM 1544 H2 TIP3W1013 -21.727 -14.423 -9.143 1.00 0.00 WT1 H
+ATOM 1545 OH2 TIP3W1014 -11.499 -16.620 -3.044 1.00 0.00 WT1 O
+ATOM 1546 H1 TIP3W1014 -11.365 -17.530 -3.496 1.00 0.00 WT1 H
+ATOM 1547 H2 TIP3W1014 -10.650 -16.467 -2.603 1.00 0.00 WT1 H
+ATOM 1548 OH2 TIP3W1017 -12.802 -14.347 -6.755 1.00 0.00 WT1 O
+ATOM 1549 H1 TIP3W1017 -12.010 -14.241 -7.272 1.00 0.00 WT1 H
+ATOM 1550 H2 TIP3W1017 -12.645 -13.823 -5.960 1.00 0.00 WT1 H
+ATOM 1551 OH2 TIP3W1018 -20.217 -12.787 -12.356 1.00 0.00 WT1 O
+ATOM 1552 H1 TIP3W1018 -20.535 -12.982 -11.493 1.00 0.00 WT1 H
+ATOM 1553 H2 TIP3W1018 -19.239 -12.690 -12.271 1.00 0.00 WT1 H
+ATOM 1554 OH2 TIP3W1020 -10.387 -21.053 8.771 1.00 0.00 WT1 O
+ATOM 1555 H1 TIP3W1020 -10.306 -20.137 8.955 1.00 0.00 WT1 H
+ATOM 1556 H2 TIP3W1020 -11.201 -21.053 8.292 1.00 0.00 WT1 H
+ATOM 1557 OH2 TIP3W1022 -15.489 -14.696 17.524 1.00 0.00 WT1 O
+ATOM 1558 H1 TIP3W1022 -15.339 -15.554 17.990 1.00 0.00 WT1 H
+ATOM 1559 H2 TIP3W1022 -16.351 -14.794 17.048 1.00 0.00 WT1 H
+ATOM 1560 OH2 TIP3W1027 -7.428 -17.189 -21.741 1.00 0.00 WT1 O
+ATOM 1561 H1 TIP3W1027 -7.300 -16.284 -22.034 1.00 0.00 WT1 H
+ATOM 1562 H2 TIP3W1027 -8.411 -17.188 -21.607 1.00 0.00 WT1 H
+ATOM 1563 OH2 TIP3W1032 -14.657 -22.806 -18.872 1.00 0.00 WT1 O
+ATOM 1564 H1 TIP3W1032 -15.222 -22.067 -19.282 1.00 0.00 WT1 H
+ATOM 1565 H2 TIP3W1032 -15.268 -23.396 -18.374 1.00 0.00 WT1 H
+ATOM 1566 OH2 TIP3W1033 -12.377 -5.472 -21.221 1.00 0.00 WT1 O
+ATOM 1567 H1 TIP3W1033 -13.189 -5.119 -21.674 1.00 0.00 WT1 H
+ATOM 1568 H2 TIP3W1033 -12.063 -4.735 -20.570 1.00 0.00 WT1 H
+ATOM 1569 OH2 TIP3W1039 -13.527 0.975 8.404 1.00 0.00 WT1 O
+ATOM 1570 H1 TIP3W1039 -13.288 0.141 7.927 1.00 0.00 WT1 H
+ATOM 1571 H2 TIP3W1039 -13.400 0.707 9.329 1.00 0.00 WT1 H
+ATOM 1572 OH2 TIP3W1040 -15.461 -6.399 -6.989 1.00 0.00 WT1 O
+ATOM 1573 H1 TIP3W1040 -15.281 -5.495 -7.200 1.00 0.00 WT1 H
+ATOM 1574 H2 TIP3W1040 -16.301 -6.518 -7.460 1.00 0.00 WT1 H
+ATOM 1575 OH2 TIP3W1042 -8.411 -19.029 18.251 1.00 0.00 WT1 O
+ATOM 1576 H1 TIP3W1042 -8.510 -18.848 17.292 1.00 0.00 WT1 H
+ATOM 1577 H2 TIP3W1042 -7.728 -18.417 18.551 1.00 0.00 WT1 H
+ATOM 1578 OH2 TIP3W1043 -19.802 -6.499 18.377 1.00 0.00 WT1 O
+ATOM 1579 H1 TIP3W1043 -20.059 -6.288 19.296 1.00 0.00 WT1 H
+ATOM 1580 H2 TIP3W1043 -18.856 -6.241 18.310 1.00 0.00 WT1 H
+ATOM 1581 OH2 TIP3W1053 -11.001 -9.286 -3.739 1.00 0.00 WT1 O
+ATOM 1582 H1 TIP3W1053 -10.173 -9.202 -3.212 1.00 0.00 WT1 H
+ATOM 1583 H2 TIP3W1053 -11.770 -9.141 -3.099 1.00 0.00 WT1 H
+ATOM 1584 OH2 TIP3W1055 -14.129 -1.396 -22.334 1.00 0.00 WT1 O
+ATOM 1585 H1 TIP3W1055 -14.342 -0.743 -21.680 1.00 0.00 WT1 H
+ATOM 1586 H2 TIP3W1055 -14.777 -2.102 -22.127 1.00 0.00 WT1 H
+ATOM 1587 OH2 TIP3W1057 -12.663 6.503 -0.681 1.00 0.00 WT1 O
+ATOM 1588 H1 TIP3W1057 -12.831 6.099 0.263 1.00 0.00 WT1 H
+ATOM 1589 H2 TIP3W1057 -13.439 6.310 -1.246 1.00 0.00 WT1 H
+ATOM 1590 OH2 TIP3W1058 -16.337 -4.672 -9.526 1.00 0.00 WT1 O
+ATOM 1591 H1 TIP3W1058 -16.123 -4.049 -10.196 1.00 0.00 WT1 H
+ATOM 1592 H2 TIP3W1058 -15.496 -5.164 -9.346 1.00 0.00 WT1 H
+ATOM 1593 OH2 TIP3W1059 -8.831 -6.613 -13.674 1.00 0.00 WT1 O
+ATOM 1594 H1 TIP3W1059 -9.760 -6.738 -13.427 1.00 0.00 WT1 H
+ATOM 1595 H2 TIP3W1059 -8.438 -6.656 -12.820 1.00 0.00 WT1 H
+ATOM 1596 OH2 TIP3W1060 -11.166 -12.376 11.136 1.00 0.00 WT1 O
+ATOM 1597 H1 TIP3W1060 -11.843 -11.672 11.301 1.00 0.00 WT1 H
+ATOM 1598 H2 TIP3W1060 -11.403 -13.072 11.753 1.00 0.00 WT1 H
+ATOM 1599 OH2 TIP3W1061 -19.190 -12.413 13.309 1.00 0.00 WT1 O
+ATOM 1600 H1 TIP3W1061 -19.232 -13.312 12.947 1.00 0.00 WT1 H
+ATOM 1601 H2 TIP3W1061 -19.061 -11.853 12.428 1.00 0.00 WT1 H
+ATOM 1602 OH2 TIP3W1062 -7.088 -6.096 14.522 1.00 0.00 WT1 O
+ATOM 1603 H1 TIP3W1062 -7.477 -5.261 14.489 1.00 0.00 WT1 H
+ATOM 1604 H2 TIP3W1062 -7.137 -6.432 13.640 1.00 0.00 WT1 H
+ATOM 1605 OH2 TIP3W1063 -8.960 -1.563 12.818 1.00 0.00 WT1 O
+ATOM 1606 H1 TIP3W1063 -9.625 -1.806 13.447 1.00 0.00 WT1 H
+ATOM 1607 H2 TIP3W1063 -8.177 -1.668 13.350 1.00 0.00 WT1 H
+ATOM 1608 OH2 TIP3W1065 -6.251 5.833 15.660 1.00 0.00 WT1 O
+ATOM 1609 H1 TIP3W1065 -6.393 5.000 16.181 1.00 0.00 WT1 H
+ATOM 1610 H2 TIP3W1065 -7.082 6.121 15.319 1.00 0.00 WT1 H
+ATOM 1611 OH2 TIP3W1066 -18.845 0.861 8.326 1.00 0.00 WT1 O
+ATOM 1612 H1 TIP3W1066 -17.889 0.700 8.196 1.00 0.00 WT1 H
+ATOM 1613 H2 TIP3W1066 -18.916 1.513 8.999 1.00 0.00 WT1 H
+ATOM 1614 OH2 TIP3W1072 -8.876 18.712 -11.076 1.00 0.00 WT1 O
+ATOM 1615 H1 TIP3W1072 -8.341 19.482 -10.863 1.00 0.00 WT1 H
+ATOM 1616 H2 TIP3W1072 -9.805 19.060 -10.887 1.00 0.00 WT1 H
+ATOM 1617 OH2 TIP3W1076 -20.066 -1.737 -16.937 1.00 0.00 WT1 O
+ATOM 1618 H1 TIP3W1076 -19.914 -2.656 -16.757 1.00 0.00 WT1 H
+ATOM 1619 H2 TIP3W1076 -20.170 -1.257 -16.049 1.00 0.00 WT1 H
+ATOM 1620 OH2 TIP3W1077 -21.507 9.631 -13.506 1.00 0.00 WT1 O
+ATOM 1621 H1 TIP3W1077 -22.207 10.311 -13.772 1.00 0.00 WT1 H
+ATOM 1622 H2 TIP3W1077 -22.108 8.894 -13.256 1.00 0.00 WT1 H
+ATOM 1623 OH2 TIP3W1078 -11.872 11.514 -0.846 1.00 0.00 WT1 O
+ATOM 1624 H1 TIP3W1078 -11.819 12.470 -0.491 1.00 0.00 WT1 H
+ATOM 1625 H2 TIP3W1078 -12.417 11.585 -1.603 1.00 0.00 WT1 H
+ATOM 1626 OH2 TIP3W1080 -16.606 -4.859 0.277 1.00 0.00 WT1 O
+ATOM 1627 H1 TIP3W1080 -16.309 -4.107 -0.162 1.00 0.00 WT1 H
+ATOM 1628 H2 TIP3W1080 -16.589 -4.663 1.181 1.00 0.00 WT1 H
+ATOM 1629 OH2 TIP3W1081 -14.895 2.518 3.942 1.00 0.00 WT1 O
+ATOM 1630 H1 TIP3W1081 -14.138 2.446 3.305 1.00 0.00 WT1 H
+ATOM 1631 H2 TIP3W1081 -14.396 2.596 4.793 1.00 0.00 WT1 H
+ATOM 1632 OH2 TIP3W1082 -2.762 -8.545 14.694 1.00 0.00 WT1 O
+ATOM 1633 H1 TIP3W1082 -2.188 -9.190 14.190 1.00 0.00 WT1 H
+ATOM 1634 H2 TIP3W1082 -2.063 -8.152 15.236 1.00 0.00 WT1 H
+ATOM 1635 OH2 TIP3W1083 8.251 6.962 19.282 1.00 0.00 WT1 O
+ATOM 1636 H1 TIP3W1083 7.539 7.462 18.851 1.00 0.00 WT1 H
+ATOM 1637 H2 TIP3W1083 8.245 7.373 20.133 1.00 0.00 WT1 H
+ATOM 1638 OH2 TIP3W1085 -14.605 -4.501 16.937 1.00 0.00 WT1 O
+ATOM 1639 H1 TIP3W1085 -14.634 -4.387 15.966 1.00 0.00 WT1 H
+ATOM 1640 H2 TIP3W1085 -15.242 -3.786 17.231 1.00 0.00 WT1 H
+ATOM 1641 OH2 TIP3W1087 -6.838 -15.460 21.767 1.00 0.00 WT1 O
+ATOM 1642 H1 TIP3W1087 -6.970 -14.743 21.110 1.00 0.00 WT1 H
+ATOM 1643 H2 TIP3W1087 -7.416 -15.105 22.493 1.00 0.00 WT1 H
+ATOM 1644 OH2 TIP3W1090 -9.856 -7.868 17.439 1.00 0.00 WT1 O
+ATOM 1645 H1 TIP3W1090 -9.880 -8.845 17.440 1.00 0.00 WT1 H
+ATOM 1646 H2 TIP3W1090 -8.921 -7.718 17.784 1.00 0.00 WT1 H
+ATOM 1647 OH2 TIP3W1096 -2.754 -2.615 -17.674 1.00 0.00 WT1 O
+ATOM 1648 H1 TIP3W1096 -2.313 -2.045 -17.001 1.00 0.00 WT1 H
+ATOM 1649 H2 TIP3W1096 -3.219 -3.224 -17.145 1.00 0.00 WT1 H
+ATOM 1650 OH2 TIP3W1097 -12.851 0.426 11.162 1.00 0.00 WT1 O
+ATOM 1651 H1 TIP3W1097 -11.919 0.554 11.220 1.00 0.00 WT1 H
+ATOM 1652 H2 TIP3W1097 -13.106 -0.113 11.980 1.00 0.00 WT1 H
+ATOM 1653 OH2 TIP3W1098 -19.327 -2.652 -12.716 1.00 0.00 WT1 O
+ATOM 1654 H1 TIP3W1098 -19.209 -2.093 -13.471 1.00 0.00 WT1 H
+ATOM 1655 H2 TIP3W1098 -20.088 -3.183 -13.051 1.00 0.00 WT1 H
+ATOM 1656 OH2 TIP3W1099 -9.737 2.968 3.459 1.00 0.00 WT1 O
+ATOM 1657 H1 TIP3W1099 -9.010 2.460 3.156 1.00 0.00 WT1 H
+ATOM 1658 H2 TIP3W1099 -10.343 2.301 3.810 1.00 0.00 WT1 H
+ATOM 1659 OH2 TIP3W1100 -15.848 -8.695 2.984 1.00 0.00 WT1 O
+ATOM 1660 H1 TIP3W1100 -15.503 -8.187 2.247 1.00 0.00 WT1 H
+ATOM 1661 H2 TIP3W1100 -16.679 -9.026 2.649 1.00 0.00 WT1 H
+ATOM 1662 OH2 TIP3W1101 -10.757 5.191 -1.885 1.00 0.00 WT1 O
+ATOM 1663 H1 TIP3W1101 -11.389 5.222 -1.120 1.00 0.00 WT1 H
+ATOM 1664 H2 TIP3W1101 -10.972 5.992 -2.354 1.00 0.00 WT1 H
+ATOM 1665 OH2 TIP3W1102 -14.892 -7.633 20.671 1.00 0.00 WT1 O
+ATOM 1666 H1 TIP3W1102 -15.724 -7.996 20.944 1.00 0.00 WT1 H
+ATOM 1667 H2 TIP3W1102 -15.033 -6.725 20.818 1.00 0.00 WT1 H
+ATOM 1668 OH2 TIP3W1103 -12.994 -1.752 16.223 1.00 0.00 WT1 O
+ATOM 1669 H1 TIP3W1103 -12.244 -1.755 16.830 1.00 0.00 WT1 H
+ATOM 1670 H2 TIP3W1103 -13.415 -2.557 16.477 1.00 0.00 WT1 H
+ATOM 1671 OH2 TIP3W1104 -21.208 -0.689 7.933 1.00 0.00 WT1 O
+ATOM 1672 H1 TIP3W1104 -20.436 -0.235 8.360 1.00 0.00 WT1 H
+ATOM 1673 H2 TIP3W1104 -21.529 -1.346 8.580 1.00 0.00 WT1 H
+ATOM 1674 OH2 TIP3W1105 -12.706 6.759 11.980 1.00 0.00 WT1 O
+ATOM 1675 H1 TIP3W1105 -13.306 6.439 12.697 1.00 0.00 WT1 H
+ATOM 1676 H2 TIP3W1105 -11.852 6.690 12.383 1.00 0.00 WT1 H
+ATOM 1677 OH2 TIP3W1107 -15.703 -5.580 11.938 1.00 0.00 WT1 O
+ATOM 1678 H1 TIP3W1107 -15.921 -5.906 11.004 1.00 0.00 WT1 H
+ATOM 1679 H2 TIP3W1107 -16.576 -5.687 12.395 1.00 0.00 WT1 H
+ATOM 1680 OH2 TIP3W1112 -15.883 -5.814 -18.346 1.00 0.00 WT1 O
+ATOM 1681 H1 TIP3W1112 -15.179 -5.200 -18.433 1.00 0.00 WT1 H
+ATOM 1682 H2 TIP3W1112 -15.870 -6.339 -19.181 1.00 0.00 WT1 H
+ATOM 1683 OH2 TIP3W1113 2.761 10.981 -10.224 1.00 0.00 WT1 O
+ATOM 1684 H1 TIP3W1113 3.162 10.075 -10.243 1.00 0.00 WT1 H
+ATOM 1685 H2 TIP3W1113 1.853 10.723 -10.305 1.00 0.00 WT1 H
+ATOM 1686 OH2 TIP3W1115 -1.215 -14.522 -17.319 1.00 0.00 WT1 O
+ATOM 1687 H1 TIP3W1115 -1.855 -15.217 -16.993 1.00 0.00 WT1 H
+ATOM 1688 H2 TIP3W1115 -0.429 -14.636 -16.815 1.00 0.00 WT1 H
+ATOM 1689 OH2 TIP3W1116 -5.190 7.913 4.724 1.00 0.00 WT1 O
+ATOM 1690 H1 TIP3W1116 -5.158 8.608 5.360 1.00 0.00 WT1 H
+ATOM 1691 H2 TIP3W1116 -4.303 7.625 4.712 1.00 0.00 WT1 H
+ATOM 1692 OH2 TIP3W1117 -1.534 -17.917 -18.902 1.00 0.00 WT1 O
+ATOM 1693 H1 TIP3W1117 -1.922 -18.382 -18.185 1.00 0.00 WT1 H
+ATOM 1694 H2 TIP3W1117 -0.795 -17.401 -18.447 1.00 0.00 WT1 H
+ATOM 1695 OH2 TIP3W1118 -11.521 -3.591 1.334 1.00 0.00 WT1 O
+ATOM 1696 H1 TIP3W1118 -12.273 -3.882 1.807 1.00 0.00 WT1 H
+ATOM 1697 H2 TIP3W1118 -10.866 -4.328 1.409 1.00 0.00 WT1 H
+ATOM 1698 OH2 TIP3W1120 -14.479 -3.050 1.985 1.00 0.00 WT1 O
+ATOM 1699 H1 TIP3W1120 -15.005 -2.678 2.701 1.00 0.00 WT1 H
+ATOM 1700 H2 TIP3W1120 -14.158 -3.993 2.352 1.00 0.00 WT1 H
+ATOM 1701 OH2 TIP3W1121 -11.512 4.815 4.073 1.00 0.00 WT1 O
+ATOM 1702 H1 TIP3W1121 -11.355 5.142 5.027 1.00 0.00 WT1 H
+ATOM 1703 H2 TIP3W1121 -10.833 4.044 3.878 1.00 0.00 WT1 H
+ATOM 1704 OH2 TIP3W1123 -12.540 1.988 16.267 1.00 0.00 WT1 O
+ATOM 1705 H1 TIP3W1123 -13.231 2.425 16.804 1.00 0.00 WT1 H
+ATOM 1706 H2 TIP3W1123 -12.274 1.275 16.871 1.00 0.00 WT1 H
+ATOM 1707 OH2 TIP3W1125 -20.031 12.833 16.454 1.00 0.00 WT1 O
+ATOM 1708 H1 TIP3W1125 -19.709 13.340 17.259 1.00 0.00 WT1 H
+ATOM 1709 H2 TIP3W1125 -20.946 12.489 16.709 1.00 0.00 WT1 H
+ATOM 1710 OH2 TIP3W1128 -0.299 7.612 14.279 1.00 0.00 WT1 O
+ATOM 1711 H1 TIP3W1128 0.197 8.414 14.360 1.00 0.00 WT1 H
+ATOM 1712 H2 TIP3W1128 -0.509 7.420 15.163 1.00 0.00 WT1 H
+ATOM 1713 OH2 TIP3W1134 -1.628 10.308 -19.597 1.00 0.00 WT1 O
+ATOM 1714 H1 TIP3W1134 -1.425 11.264 -19.843 1.00 0.00 WT1 H
+ATOM 1715 H2 TIP3W1134 -2.602 10.352 -19.666 1.00 0.00 WT1 H
+ATOM 1716 OH2 TIP3W1135 -12.327 16.796 -11.617 1.00 0.00 WT1 O
+ATOM 1717 H1 TIP3W1135 -11.976 17.382 -12.343 1.00 0.00 WT1 H
+ATOM 1718 H2 TIP3W1135 -11.565 16.186 -11.482 1.00 0.00 WT1 H
+ATOM 1719 OH2 TIP3W1137 22.306 -2.653 -9.507 1.00 0.00 WT1 O
+ATOM 1720 H1 TIP3W1137 21.939 -1.896 -8.981 1.00 0.00 WT1 H
+ATOM 1721 H2 TIP3W1137 22.405 -3.438 -8.882 1.00 0.00 WT1 H
+ATOM 1722 OH2 TIP3W1139 -14.768 14.936 -8.759 1.00 0.00 WT1 O
+ATOM 1723 H1 TIP3W1139 -15.324 15.692 -8.681 1.00 0.00 WT1 H
+ATOM 1724 H2 TIP3W1139 -14.138 15.090 -8.013 1.00 0.00 WT1 H
+ATOM 1725 OH2 TIP3W1140 -12.408 9.931 -10.563 1.00 0.00 WT1 O
+ATOM 1726 H1 TIP3W1140 -12.971 9.644 -9.810 1.00 0.00 WT1 H
+ATOM 1727 H2 TIP3W1140 -12.936 9.545 -11.317 1.00 0.00 WT1 H
+ATOM 1728 OH2 TIP3W1143 -15.322 8.285 6.724 1.00 0.00 WT1 O
+ATOM 1729 H1 TIP3W1143 -14.428 7.995 6.438 1.00 0.00 WT1 H
+ATOM 1730 H2 TIP3W1143 -15.714 8.721 5.962 1.00 0.00 WT1 H
+ATOM 1731 OH2 TIP3W1144 -12.308 12.023 9.858 1.00 0.00 WT1 O
+ATOM 1732 H1 TIP3W1144 -11.812 11.190 9.602 1.00 0.00 WT1 H
+ATOM 1733 H2 TIP3W1144 -13.185 11.943 9.326 1.00 0.00 WT1 H
+ATOM 1734 OH2 TIP3W1145 0.057 -2.456 9.371 1.00 0.00 WT1 O
+ATOM 1735 H1 TIP3W1145 -0.787 -2.914 9.320 1.00 0.00 WT1 H
+ATOM 1736 H2 TIP3W1145 0.639 -3.241 9.634 1.00 0.00 WT1 H
+ATOM 1737 OH2 TIP3W1147 -8.442 -4.695 12.123 1.00 0.00 WT1 O
+ATOM 1738 H1 TIP3W1147 -9.073 -4.764 12.868 1.00 0.00 WT1 H
+ATOM 1739 H2 TIP3W1147 -8.647 -5.396 11.533 1.00 0.00 WT1 H
+ATOM 1740 OH2 TIP3W1148 -15.496 -9.794 14.420 1.00 0.00 WT1 O
+ATOM 1741 H1 TIP3W1148 -16.480 -9.972 14.438 1.00 0.00 WT1 H
+ATOM 1742 H2 TIP3W1148 -15.186 -10.416 15.113 1.00 0.00 WT1 H
+ATOM 1743 OH2 TIP3W1150 -1.698 9.835 17.348 1.00 0.00 WT1 O
+ATOM 1744 H1 TIP3W1150 -1.071 10.205 16.650 1.00 0.00 WT1 H
+ATOM 1745 H2 TIP3W1150 -1.054 9.411 17.965 1.00 0.00 WT1 H
+ATOM 1746 OH2 TIP3W1155 -14.763 18.023 -20.869 1.00 0.00 WT1 O
+ATOM 1747 H1 TIP3W1155 -14.823 18.000 -19.891 1.00 0.00 WT1 H
+ATOM 1748 H2 TIP3W1155 -14.937 18.946 -21.079 1.00 0.00 WT1 H
+ATOM 1749 OH2 TIP3W1157 -14.338 22.057 -6.675 1.00 0.00 WT1 O
+ATOM 1750 H1 TIP3W1157 -15.158 21.982 -7.300 1.00 0.00 WT1 H
+ATOM 1751 H2 TIP3W1157 -14.484 22.961 -6.333 1.00 0.00 WT1 H
+ATOM 1752 OH2 TIP3W1158 -15.475 4.644 -6.714 1.00 0.00 WT1 O
+ATOM 1753 H1 TIP3W1158 -16.327 4.326 -6.443 1.00 0.00 WT1 H
+ATOM 1754 H2 TIP3W1158 -15.389 5.553 -6.426 1.00 0.00 WT1 H
+ATOM 1755 OH2 TIP3W1160 -9.567 16.694 -9.241 1.00 0.00 WT1 O
+ATOM 1756 H1 TIP3W1160 -9.051 17.152 -9.901 1.00 0.00 WT1 H
+ATOM 1757 H2 TIP3W1160 -9.155 16.773 -8.361 1.00 0.00 WT1 H
+ATOM 1758 OH2 TIP3W1161 -12.248 28.321 5.066 1.00 0.00 WT1 O
+ATOM 1759 H1 TIP3W1161 -12.713 29.119 4.828 1.00 0.00 WT1 H
+ATOM 1760 H2 TIP3W1161 -12.841 28.053 5.791 1.00 0.00 WT1 H
+ATOM 1761 OH2 TIP3W1162 -3.064 18.027 -13.589 1.00 0.00 WT1 O
+ATOM 1762 H1 TIP3W1162 -2.319 18.578 -13.922 1.00 0.00 WT1 H
+ATOM 1763 H2 TIP3W1162 -3.087 18.189 -12.621 1.00 0.00 WT1 H
+ATOM 1764 OH2 TIP3W1163 -19.259 15.017 -4.082 1.00 0.00 WT1 O
+ATOM 1765 H1 TIP3W1163 -19.569 15.860 -3.759 1.00 0.00 WT1 H
+ATOM 1766 H2 TIP3W1163 -18.341 14.978 -3.908 1.00 0.00 WT1 H
+ATOM 1767 OH2 TIP3W1164 -6.806 -11.333 11.712 1.00 0.00 WT1 O
+ATOM 1768 H1 TIP3W1164 -6.907 -11.545 12.603 1.00 0.00 WT1 H
+ATOM 1769 H2 TIP3W1164 -5.836 -11.098 11.597 1.00 0.00 WT1 H
+ATOM 1770 OH2 TIP3W1166 -4.147 16.241 13.149 1.00 0.00 WT1 O
+ATOM 1771 H1 TIP3W1166 -4.368 15.319 13.146 1.00 0.00 WT1 H
+ATOM 1772 H2 TIP3W1166 -4.353 16.597 14.073 1.00 0.00 WT1 H
+ATOM 1773 OH2 TIP3W1167 -17.326 5.526 17.742 1.00 0.00 WT1 O
+ATOM 1774 H1 TIP3W1167 -16.809 6.280 17.473 1.00 0.00 WT1 H
+ATOM 1775 H2 TIP3W1167 -16.988 4.807 17.202 1.00 0.00 WT1 H
+ATOM 1776 OH2 TIP3W1168 -18.051 2.296 21.552 1.00 0.00 WT1 O
+ATOM 1777 H1 TIP3W1168 -17.576 1.954 20.774 1.00 0.00 WT1 H
+ATOM 1778 H2 TIP3W1168 -18.863 2.674 21.155 1.00 0.00 WT1 H
+ATOM 1779 OH2 TIP3W1177 2.384 14.038 -11.038 1.00 0.00 WT1 O
+ATOM 1780 H1 TIP3W1177 2.124 14.387 -10.230 1.00 0.00 WT1 H
+ATOM 1781 H2 TIP3W1177 2.232 13.044 -10.931 1.00 0.00 WT1 H
+ATOM 1782 OH2 TIP3W1178 -14.353 6.365 -19.858 1.00 0.00 WT1 O
+ATOM 1783 H1 TIP3W1178 -13.787 5.868 -19.307 1.00 0.00 WT1 H
+ATOM 1784 H2 TIP3W1178 -14.668 7.064 -19.238 1.00 0.00 WT1 H
+ATOM 1785 OH2 TIP3W1179 -13.698 9.795 -14.832 1.00 0.00 WT1 O
+ATOM 1786 H1 TIP3W1179 -13.691 10.258 -15.740 1.00 0.00 WT1 H
+ATOM 1787 H2 TIP3W1179 -13.030 10.344 -14.395 1.00 0.00 WT1 H
+ATOM 1788 OH2 TIP3W1180 -14.454 13.142 -13.506 1.00 0.00 WT1 O
+ATOM 1789 H1 TIP3W1180 -15.307 13.318 -13.949 1.00 0.00 WT1 H
+ATOM 1790 H2 TIP3W1180 -14.383 13.873 -12.861 1.00 0.00 WT1 H
+ATOM 1791 OH2 TIP3W1181 -13.548 12.014 -6.948 1.00 0.00 WT1 O
+ATOM 1792 H1 TIP3W1181 -12.736 12.483 -6.937 1.00 0.00 WT1 H
+ATOM 1793 H2 TIP3W1181 -13.168 11.207 -7.298 1.00 0.00 WT1 H
+ATOM 1794 OH2 TIP3W1182 -18.252 6.671 5.772 1.00 0.00 WT1 O
+ATOM 1795 H1 TIP3W1182 -17.481 6.757 5.273 1.00 0.00 WT1 H
+ATOM 1796 H2 TIP3W1182 -18.666 5.894 5.386 1.00 0.00 WT1 H
+ATOM 1797 OH2 TIP3W1183 -16.435 3.717 -12.037 1.00 0.00 WT1 O
+ATOM 1798 H1 TIP3W1183 -16.334 4.144 -11.161 1.00 0.00 WT1 H
+ATOM 1799 H2 TIP3W1183 -15.949 4.289 -12.683 1.00 0.00 WT1 H
+ATOM 1800 OH2 TIP3W1184 -15.713 22.959 16.553 1.00 0.00 WT1 O
+ATOM 1801 H1 TIP3W1184 -15.024 22.320 16.238 1.00 0.00 WT1 H
+ATOM 1802 H2 TIP3W1184 -15.380 23.798 16.396 1.00 0.00 WT1 H
+ATOM 1803 OH2 TIP3W1186 -16.642 -2.402 14.361 1.00 0.00 WT1 O
+ATOM 1804 H1 TIP3W1186 -17.151 -2.686 15.118 1.00 0.00 WT1 H
+ATOM 1805 H2 TIP3W1186 -16.087 -3.144 14.128 1.00 0.00 WT1 H
+ATOM 1806 OH2 TIP3W1187 -0.303 6.905 17.034 1.00 0.00 WT1 O
+ATOM 1807 H1 TIP3W1187 -0.045 6.022 17.352 1.00 0.00 WT1 H
+ATOM 1808 H2 TIP3W1187 -0.835 7.305 17.746 1.00 0.00 WT1 H
+ATOM 1809 OH2 TIP3W1188 -13.083 7.307 5.463 1.00 0.00 WT1 O
+ATOM 1810 H1 TIP3W1188 -12.596 7.144 4.587 1.00 0.00 WT1 H
+ATOM 1811 H2 TIP3W1188 -12.384 7.584 6.140 1.00 0.00 WT1 H
+ATOM 1812 OH2 TIP3W1194 -17.660 6.284 14.389 1.00 0.00 WT1 O
+ATOM 1813 H1 TIP3W1194 -18.112 7.110 14.694 1.00 0.00 WT1 H
+ATOM 1814 H2 TIP3W1194 -18.375 5.733 14.015 1.00 0.00 WT1 H
+ATOM 1815 OH2 TIP3W1197 -10.693 1.099 -12.753 1.00 0.00 WT1 O
+ATOM 1816 H1 TIP3W1197 -11.487 1.220 -12.284 1.00 0.00 WT1 H
+ATOM 1817 H2 TIP3W1197 -10.234 1.962 -12.743 1.00 0.00 WT1 H
+ATOM 1818 OH2 TIP3W1200 -15.950 6.101 -13.887 1.00 0.00 WT1 O
+ATOM 1819 H1 TIP3W1200 -16.620 5.776 -14.371 1.00 0.00 WT1 H
+ATOM 1820 H2 TIP3W1200 -16.248 6.946 -13.439 1.00 0.00 WT1 H
+ATOM 1821 OH2 TIP3W1201 -17.245 -2.449 -11.011 1.00 0.00 WT1 O
+ATOM 1822 H1 TIP3W1201 -18.075 -2.601 -11.461 1.00 0.00 WT1 H
+ATOM 1823 H2 TIP3W1201 -16.829 -1.767 -11.578 1.00 0.00 WT1 H
+ATOM 1824 OH2 TIP3W1204 -17.678 8.771 1.455 1.00 0.00 WT1 O
+ATOM 1825 H1 TIP3W1204 -17.254 7.928 1.715 1.00 0.00 WT1 H
+ATOM 1826 H2 TIP3W1204 -18.356 8.522 0.788 1.00 0.00 WT1 H
+ATOM 1827 OH2 TIP3W1206 -16.754 12.109 0.644 1.00 0.00 WT1 O
+ATOM 1828 H1 TIP3W1206 -16.305 11.314 0.440 1.00 0.00 WT1 H
+ATOM 1829 H2 TIP3W1206 -17.588 11.828 0.975 1.00 0.00 WT1 H
+ATOM 1830 OH2 TIP3W1207 -21.563 22.803 3.577 1.00 0.00 WT1 O
+ATOM 1831 H1 TIP3W1207 -21.554 23.531 2.998 1.00 0.00 WT1 H
+ATOM 1832 H2 TIP3W1207 -20.821 22.239 3.308 1.00 0.00 WT1 H
+ATOM 1833 OH2 TIP3W1211 -14.948 9.095 9.944 1.00 0.00 WT1 O
+ATOM 1834 H1 TIP3W1211 -14.626 8.269 9.533 1.00 0.00 WT1 H
+ATOM 1835 H2 TIP3W1211 -15.085 8.857 10.844 1.00 0.00 WT1 H
+ATOM 1836 OH2 TIP3W1212 -10.614 17.288 8.068 1.00 0.00 WT1 O
+ATOM 1837 H1 TIP3W1212 -10.704 16.317 8.083 1.00 0.00 WT1 H
+ATOM 1838 H2 TIP3W1212 -10.017 17.533 7.362 1.00 0.00 WT1 H
+ATOM 1839 OH2 TIP3W1214 -11.330 12.538 17.289 1.00 0.00 WT1 O
+ATOM 1840 H1 TIP3W1214 -12.065 12.383 16.698 1.00 0.00 WT1 H
+ATOM 1841 H2 TIP3W1214 -11.186 11.679 17.705 1.00 0.00 WT1 H
+ATOM 1842 OH2 TIP3W1215 -10.136 9.936 18.213 1.00 0.00 WT1 O
+ATOM 1843 H1 TIP3W1215 -9.533 9.392 17.653 1.00 0.00 WT1 H
+ATOM 1844 H2 TIP3W1215 -9.603 10.142 18.959 1.00 0.00 WT1 H
+ATOM 1845 OH2 TIP3W1217 -18.210 11.687 11.912 1.00 0.00 WT1 O
+ATOM 1846 H1 TIP3W1217 -17.962 10.976 12.486 1.00 0.00 WT1 H
+ATOM 1847 H2 TIP3W1217 -18.872 12.122 12.470 1.00 0.00 WT1 H
+ATOM 1848 OH2 TIP3W1219 -13.570 24.378 -12.348 1.00 0.00 WT1 O
+ATOM 1849 H1 TIP3W1219 -14.292 24.392 -11.673 1.00 0.00 WT1 H
+ATOM 1850 H2 TIP3W1219 -12.946 25.048 -12.034 1.00 0.00 WT1 H
+ATOM 1851 OH2 TIP3W1220 -7.304 21.284 -21.235 1.00 0.00 WT1 O
+ATOM 1852 H1 TIP3W1220 -7.264 20.926 -22.173 1.00 0.00 WT1 H
+ATOM 1853 H2 TIP3W1220 -7.817 20.670 -20.765 1.00 0.00 WT1 H
+ATOM 1854 OH2 TIP3W1222 -11.130 13.459 -6.899 1.00 0.00 WT1 O
+ATOM 1855 H1 TIP3W1222 -11.284 14.437 -6.927 1.00 0.00 WT1 H
+ATOM 1856 H2 TIP3W1222 -10.323 13.383 -6.371 1.00 0.00 WT1 H
+ATOM 1857 OH2 TIP3W1223 -6.865 11.604 -19.009 1.00 0.00 WT1 O
+ATOM 1858 H1 TIP3W1223 -6.274 12.302 -18.639 1.00 0.00 WT1 H
+ATOM 1859 H2 TIP3W1223 -7.036 12.012 -19.860 1.00 0.00 WT1 H
+ATOM 1860 OH2 TIP3W1224 -4.854 13.369 -9.951 1.00 0.00 WT1 O
+ATOM 1861 H1 TIP3W1224 -4.026 13.348 -10.449 1.00 0.00 WT1 H
+ATOM 1862 H2 TIP3W1224 -5.561 13.507 -10.556 1.00 0.00 WT1 H
+ATOM 1863 OH2 TIP3W1225 -14.098 27.867 -4.426 1.00 0.00 WT1 O
+ATOM 1864 H1 TIP3W1225 -14.301 27.247 -5.088 1.00 0.00 WT1 H
+ATOM 1865 H2 TIP3W1225 -14.330 27.412 -3.533 1.00 0.00 WT1 H
+ATOM 1866 OH2 TIP3W1226 -12.022 26.375 -9.269 1.00 0.00 WT1 O
+ATOM 1867 H1 TIP3W1226 -11.882 25.667 -8.656 1.00 0.00 WT1 H
+ATOM 1868 H2 TIP3W1226 -11.770 25.950 -10.114 1.00 0.00 WT1 H
+ATOM 1869 OH2 TIP3W1229 -4.115 22.013 9.844 1.00 0.00 WT1 O
+ATOM 1870 H1 TIP3W1229 -3.884 22.523 9.059 1.00 0.00 WT1 H
+ATOM 1871 H2 TIP3W1229 -4.770 22.621 10.241 1.00 0.00 WT1 H
+ATOM 1872 OH2 TIP3W1230 -14.914 16.652 16.703 1.00 0.00 WT1 O
+ATOM 1873 H1 TIP3W1230 -15.812 16.326 16.553 1.00 0.00 WT1 H
+ATOM 1874 H2 TIP3W1230 -14.909 17.093 17.576 1.00 0.00 WT1 H
+ATOM 1875 OH2 TIP3W1234 -10.165 5.651 20.848 1.00 0.00 WT1 O
+ATOM 1876 H1 TIP3W1234 -10.598 4.940 20.312 1.00 0.00 WT1 H
+ATOM 1877 H2 TIP3W1234 -10.743 5.541 21.684 1.00 0.00 WT1 H
+ATOM 1878 OH2 TIP3W1240 -19.134 30.642 -10.832 1.00 0.00 WT1 O
+ATOM 1879 H1 TIP3W1240 -19.485 30.326 -11.652 1.00 0.00 WT1 H
+ATOM 1880 H2 TIP3W1240 -19.869 31.139 -10.447 1.00 0.00 WT1 H
+ATOM 1881 OH2 TIP3W1242 -6.348 17.945 -19.513 1.00 0.00 WT1 O
+ATOM 1882 H1 TIP3W1242 -7.066 18.373 -19.988 1.00 0.00 WT1 H
+ATOM 1883 H2 TIP3W1242 -6.153 18.585 -18.808 1.00 0.00 WT1 H
+ATOM 1884 OH2 TIP3W1244 -7.188 28.012 -1.321 1.00 0.00 WT1 O
+ATOM 1885 H1 TIP3W1244 -7.854 27.305 -1.140 1.00 0.00 WT1 H
+ATOM 1886 H2 TIP3W1244 -6.367 27.700 -0.890 1.00 0.00 WT1 H
+ATOM 1887 OH2 TIP3W1247 -16.345 30.774 -4.240 1.00 0.00 WT1 O
+ATOM 1888 H1 TIP3W1247 -15.684 31.487 -4.415 1.00 0.00 WT1 H
+ATOM 1889 H2 TIP3W1247 -17.264 31.219 -4.281 1.00 0.00 WT1 H
+ATOM 1890 OH2 TIP3W1248 -16.652 14.955 -0.295 1.00 0.00 WT1 O
+ATOM 1891 H1 TIP3W1248 -17.314 15.311 0.188 1.00 0.00 WT1 H
+ATOM 1892 H2 TIP3W1248 -16.583 14.003 -0.065 1.00 0.00 WT1 H
+ATOM 1893 OH2 TIP3W1249 -17.041 19.830 11.509 1.00 0.00 WT1 O
+ATOM 1894 H1 TIP3W1249 -16.675 19.547 12.381 1.00 0.00 WT1 H
+ATOM 1895 H2 TIP3W1249 -16.590 19.130 10.993 1.00 0.00 WT1 H
+ATOM 1896 OH2 TIP3W1251 -5.973 25.405 20.901 1.00 0.00 WT1 O
+ATOM 1897 H1 TIP3W1251 -6.942 25.378 20.983 1.00 0.00 WT1 H
+ATOM 1898 H2 TIP3W1251 -5.807 25.747 19.994 1.00 0.00 WT1 H
+ATOM 1899 OH2 TIP3W1256 -15.927 31.637 14.563 1.00 0.00 WT1 O
+ATOM 1900 H1 TIP3W1256 -16.675 31.103 14.177 1.00 0.00 WT1 H
+ATOM 1901 H2 TIP3W1256 -15.261 31.516 13.888 1.00 0.00 WT1 H
+ATOM 1902 OH2 TIP3W1258 -20.510 28.468 -20.046 1.00 0.00 WT1 O
+ATOM 1903 H1 TIP3W1258 -21.465 28.590 -20.348 1.00 0.00 WT1 H
+ATOM 1904 H2 TIP3W1258 -19.974 28.223 -20.870 1.00 0.00 WT1 H
+ATOM 1905 OH2 TIP3W1263 -4.842 15.739 -11.739 1.00 0.00 WT1 O
+ATOM 1906 H1 TIP3W1263 -5.497 16.443 -11.711 1.00 0.00 WT1 H
+ATOM 1907 H2 TIP3W1263 -4.346 15.768 -10.881 1.00 0.00 WT1 H
+ATOM 1908 OH2 TIP3W1265 -15.933 21.156 -14.653 1.00 0.00 WT1 O
+ATOM 1909 H1 TIP3W1265 -16.345 21.016 -13.794 1.00 0.00 WT1 H
+ATOM 1910 H2 TIP3W1265 -15.089 21.632 -14.436 1.00 0.00 WT1 H
+ATOM 1911 OH2 TIP3W1266 -14.987 24.790 -5.316 1.00 0.00 WT1 O
+ATOM 1912 H1 TIP3W1266 -15.752 24.864 -4.753 1.00 0.00 WT1 H
+ATOM 1913 H2 TIP3W1266 -15.145 25.371 -6.026 1.00 0.00 WT1 H
+ATOM 1914 OH2 TIP3W1267 -11.158 14.460 -18.464 1.00 0.00 WT1 O
+ATOM 1915 H1 TIP3W1267 -10.697 14.276 -17.631 1.00 0.00 WT1 H
+ATOM 1916 H2 TIP3W1267 -10.522 14.231 -19.136 1.00 0.00 WT1 H
+ATOM 1917 OH2 TIP3W1269 -18.935 27.351 -0.777 1.00 0.00 WT1 O
+ATOM 1918 H1 TIP3W1269 -18.867 28.247 -1.070 1.00 0.00 WT1 H
+ATOM 1919 H2 TIP3W1269 -19.226 26.840 -1.571 1.00 0.00 WT1 H
+ATOM 1920 OH2 TIP3W1270 -15.230 24.369 6.592 1.00 0.00 WT1 O
+ATOM 1921 H1 TIP3W1270 -14.968 25.135 6.115 1.00 0.00 WT1 H
+ATOM 1922 H2 TIP3W1270 -15.680 23.783 6.021 1.00 0.00 WT1 H
+ATOM 1923 OH2 TIP3W1272 -13.798 -29.113 1.433 1.00 0.00 WT1 O
+ATOM 1924 H1 TIP3W1272 -14.712 -28.837 1.556 1.00 0.00 WT1 H
+ATOM 1925 H2 TIP3W1272 -13.415 -28.498 0.825 1.00 0.00 WT1 H
+ATOM 1926 OH2 TIP3W1274 -15.147 -31.347 11.566 1.00 0.00 WT1 O
+ATOM 1927 H1 TIP3W1274 -14.729 -30.491 11.320 1.00 0.00 WT1 H
+ATOM 1928 H2 TIP3W1274 -15.138 -31.861 10.782 1.00 0.00 WT1 H
+ATOM 1929 OH2 TIP3W1278 -19.494 15.893 19.403 1.00 0.00 WT1 O
+ATOM 1930 H1 TIP3W1278 -19.007 16.320 20.128 1.00 0.00 WT1 H
+ATOM 1931 H2 TIP3W1278 -20.323 16.361 19.256 1.00 0.00 WT1 H
+ATOM 1932 OH2 TIP3W1281 -19.385 21.222 -14.851 1.00 0.00 WT1 O
+ATOM 1933 H1 TIP3W1281 -19.580 21.886 -14.228 1.00 0.00 WT1 H
+ATOM 1934 H2 TIP3W1281 -19.425 21.675 -15.700 1.00 0.00 WT1 H
+ATOM 1935 OH2 TIP3W1284 -11.389 22.689 -21.203 1.00 0.00 WT1 O
+ATOM 1936 H1 TIP3W1284 -11.841 23.215 -20.580 1.00 0.00 WT1 H
+ATOM 1937 H2 TIP3W1284 -10.673 23.290 -21.504 1.00 0.00 WT1 H
+ATOM 1938 OH2 TIP3W1285 -18.062 24.295 -18.175 1.00 0.00 WT1 O
+ATOM 1939 H1 TIP3W1285 -18.085 24.259 -19.165 1.00 0.00 WT1 H
+ATOM 1940 H2 TIP3W1285 -17.998 25.271 -18.036 1.00 0.00 WT1 H
+ATOM 1941 OH2 TIP3W1287 -17.143 17.117 7.286 1.00 0.00 WT1 O
+ATOM 1942 H1 TIP3W1287 -17.289 16.858 6.368 1.00 0.00 WT1 H
+ATOM 1943 H2 TIP3W1287 -17.873 16.834 7.732 1.00 0.00 WT1 H
+ATOM 1944 OH2 TIP3W1289 -1.432 24.317 5.129 1.00 0.00 WT1 O
+ATOM 1945 H1 TIP3W1289 -0.563 23.952 5.279 1.00 0.00 WT1 H
+ATOM 1946 H2 TIP3W1289 -1.670 23.893 4.298 1.00 0.00 WT1 H
+ATOM 1947 OH2 TIP3W1290 -10.024 29.346 1.027 1.00 0.00 WT1 O
+ATOM 1948 H1 TIP3W1290 -10.758 29.952 1.082 1.00 0.00 WT1 H
+ATOM 1949 H2 TIP3W1290 -9.622 29.652 0.184 1.00 0.00 WT1 H
+ATOM 1950 OH2 TIP3W1291 -15.053 27.850 1.537 1.00 0.00 WT1 O
+ATOM 1951 H1 TIP3W1291 -14.622 27.009 1.598 1.00 0.00 WT1 H
+ATOM 1952 H2 TIP3W1291 -15.894 27.567 1.877 1.00 0.00 WT1 H
+ATOM 1953 OH2 TIP3W1293 -1.638 25.587 7.849 1.00 0.00 WT1 O
+ATOM 1954 H1 TIP3W1293 -1.298 26.327 7.398 1.00 0.00 WT1 H
+ATOM 1955 H2 TIP3W1293 -1.046 24.927 7.612 1.00 0.00 WT1 H
+ATOM 1956 OH2 TIP3W1295 -17.680 16.884 16.187 1.00 0.00 WT1 O
+ATOM 1957 H1 TIP3W1295 -17.191 17.687 16.084 1.00 0.00 WT1 H
+ATOM 1958 H2 TIP3W1295 -17.506 16.415 15.414 1.00 0.00 WT1 H
+ATOM 1959 OH2 TIP3W1297 -13.640 -22.136 20.499 1.00 0.00 WT1 O
+ATOM 1960 H1 TIP3W1297 -14.479 -22.522 20.844 1.00 0.00 WT1 H
+ATOM 1961 H2 TIP3W1297 -13.158 -22.907 20.235 1.00 0.00 WT1 H
+ATOM 1962 OH2 TIP3W1298 -21.734 -28.230 14.559 1.00 0.00 WT1 O
+ATOM 1963 H1 TIP3W1298 -20.862 -28.629 14.799 1.00 0.00 WT1 H
+ATOM 1964 H2 TIP3W1298 -22.354 -28.962 14.691 1.00 0.00 WT1 H
+ATOM 1965 OH2 TIP3W1301 -19.266 -30.968 -19.501 1.00 0.00 WT1 O
+ATOM 1966 H1 TIP3W1301 -19.568 -31.144 -20.399 1.00 0.00 WT1 H
+ATOM 1967 H2 TIP3W1301 -18.368 -30.670 -19.661 1.00 0.00 WT1 H
+ATOM 1968 OH2 TIP3W1303 -20.523 30.429 -15.420 1.00 0.00 WT1 O
+ATOM 1969 H1 TIP3W1303 -19.789 30.054 -14.913 1.00 0.00 WT1 H
+ATOM 1970 H2 TIP3W1303 -20.060 30.818 -16.164 1.00 0.00 WT1 H
+ATOM 1971 OH2 TIP3W1306 -12.886 30.367 -5.365 1.00 0.00 WT1 O
+ATOM 1972 H1 TIP3W1306 -13.290 29.522 -5.234 1.00 0.00 WT1 H
+ATOM 1973 H2 TIP3W1306 -13.229 30.920 -4.606 1.00 0.00 WT1 H
+ATOM 1974 OH2 TIP3W1307 -6.490 -24.002 -12.566 1.00 0.00 WT1 O
+ATOM 1975 H1 TIP3W1307 -6.501 -23.017 -12.479 1.00 0.00 WT1 H
+ATOM 1976 H2 TIP3W1307 -6.509 -24.059 -13.573 1.00 0.00 WT1 H
+ATOM 1977 OH2 TIP3W1308 -14.208 -9.571 -9.120 1.00 0.00 WT1 O
+ATOM 1978 H1 TIP3W1308 -13.459 -9.322 -9.716 1.00 0.00 WT1 H
+ATOM 1979 H2 TIP3W1308 -14.780 -8.755 -9.082 1.00 0.00 WT1 H
+ATOM 1980 OH2 TIP3W1309 1.848 -27.633 9.877 1.00 0.00 WT1 O
+ATOM 1981 H1 TIP3W1309 2.663 -27.652 9.371 1.00 0.00 WT1 H
+ATOM 1982 H2 TIP3W1309 1.711 -28.592 10.019 1.00 0.00 WT1 H
+ATOM 1983 OH2 TIP3W1311 -10.731 -27.885 6.645 1.00 0.00 WT1 O
+ATOM 1984 H1 TIP3W1311 -10.250 -28.683 6.329 1.00 0.00 WT1 H
+ATOM 1985 H2 TIP3W1311 -11.254 -28.171 7.373 1.00 0.00 WT1 H
+ATOM 1986 OH2 TIP3W1312 -17.852 30.506 9.014 1.00 0.00 WT1 O
+ATOM 1987 H1 TIP3W1312 -17.534 30.819 9.912 1.00 0.00 WT1 H
+ATOM 1988 H2 TIP3W1312 -18.441 31.279 8.816 1.00 0.00 WT1 H
+ATOM 1989 OH2 TIP3W1313 -12.160 -12.865 3.870 1.00 0.00 WT1 O
+ATOM 1990 H1 TIP3W1313 -13.118 -13.019 4.141 1.00 0.00 WT1 H
+ATOM 1991 H2 TIP3W1313 -11.933 -13.604 3.235 1.00 0.00 WT1 H
+ATOM 1992 OH2 TIP3W1316 -15.894 27.465 5.256 1.00 0.00 WT1 O
+ATOM 1993 H1 TIP3W1316 -15.837 28.316 4.714 1.00 0.00 WT1 H
+ATOM 1994 H2 TIP3W1316 -15.502 27.628 6.127 1.00 0.00 WT1 H
+ATOM 1995 OH2 TIP3W1317 -13.507 -27.625 19.977 1.00 0.00 WT1 O
+ATOM 1996 H1 TIP3W1317 -12.677 -27.200 19.734 1.00 0.00 WT1 H
+ATOM 1997 H2 TIP3W1317 -13.302 -28.362 20.480 1.00 0.00 WT1 H
+ATOM 1998 OH2 TIP3W1324 -9.304 22.822 -15.181 1.00 0.00 WT1 O
+ATOM 1999 H1 TIP3W1324 -9.142 23.750 -15.437 1.00 0.00 WT1 H
+ATOM 2000 H2 TIP3W1324 -9.493 22.814 -14.181 1.00 0.00 WT1 H
+ATOM 2001 OH2 TIP3W1326 -4.107 -29.318 -21.816 1.00 0.00 WT1 O
+ATOM 2002 H1 TIP3W1326 -5.050 -29.199 -21.620 1.00 0.00 WT1 H
+ATOM 2003 H2 TIP3W1326 -3.984 -30.267 -21.997 1.00 0.00 WT1 H
+ATOM 2004 OH2 TIP3W1327 -7.057 -26.425 -14.675 1.00 0.00 WT1 O
+ATOM 2005 H1 TIP3W1327 -6.188 -26.775 -14.382 1.00 0.00 WT1 H
+ATOM 2006 H2 TIP3W1327 -7.363 -27.074 -15.327 1.00 0.00 WT1 H
+ATOM 2007 OH2 TIP3W1328 -18.047 -29.802 -14.899 1.00 0.00 WT1 O
+ATOM 2008 H1 TIP3W1328 -17.126 -29.705 -15.071 1.00 0.00 WT1 H
+ATOM 2009 H2 TIP3W1328 -18.152 -30.791 -14.831 1.00 0.00 WT1 H
+ATOM 2010 OH2 TIP3W1329 -2.558 -25.327 -14.172 1.00 0.00 WT1 O
+ATOM 2011 H1 TIP3W1329 -1.911 -24.692 -14.112 1.00 0.00 WT1 H
+ATOM 2012 H2 TIP3W1329 -3.201 -24.834 -14.667 1.00 0.00 WT1 H
+ATOM 2013 OH2 TIP3W1330 -0.576 -21.379 -4.747 1.00 0.00 WT1 O
+ATOM 2014 H1 TIP3W1330 0.133 -21.346 -5.493 1.00 0.00 WT1 H
+ATOM 2015 H2 TIP3W1330 0.004 -21.267 -3.974 1.00 0.00 WT1 H
+ATOM 2016 OH2 TIP3W1332 -7.909 -29.619 6.107 1.00 0.00 WT1 O
+ATOM 2017 H1 TIP3W1332 -7.926 -28.777 5.617 1.00 0.00 WT1 H
+ATOM 2018 H2 TIP3W1332 -8.045 -30.205 5.359 1.00 0.00 WT1 H
+ATOM 2019 OH2 TIP3W1333 -4.236 -25.429 -5.579 1.00 0.00 WT1 O
+ATOM 2020 H1 TIP3W1333 -4.171 -25.116 -6.492 1.00 0.00 WT1 H
+ATOM 2021 H2 TIP3W1333 -5.188 -25.248 -5.410 1.00 0.00 WT1 H
+ATOM 2022 OH2 TIP3W1334 -3.914 -24.545 20.416 1.00 0.00 WT1 O
+ATOM 2023 H1 TIP3W1334 -2.976 -24.606 20.255 1.00 0.00 WT1 H
+ATOM 2024 H2 TIP3W1334 -4.360 -24.219 19.630 1.00 0.00 WT1 H
+ATOM 2025 OH2 TIP3W1335 -14.686 25.278 15.085 1.00 0.00 WT1 O
+ATOM 2026 H1 TIP3W1335 -14.243 25.557 15.896 1.00 0.00 WT1 H
+ATOM 2027 H2 TIP3W1335 -14.041 25.113 14.431 1.00 0.00 WT1 H
+ATOM 2028 OH2 TIP3W1336 -19.023 28.151 19.994 1.00 0.00 WT1 O
+ATOM 2029 H1 TIP3W1336 -18.208 28.449 19.492 1.00 0.00 WT1 H
+ATOM 2030 H2 TIP3W1336 -19.617 28.851 19.888 1.00 0.00 WT1 H
+ATOM 2031 OH2 TIP3W1337 -10.995 -23.904 20.007 1.00 0.00 WT1 O
+ATOM 2032 H1 TIP3W1337 -11.253 -24.856 20.070 1.00 0.00 WT1 H
+ATOM 2033 H2 TIP3W1337 -10.120 -23.958 20.340 1.00 0.00 WT1 H
+ATOM 2034 OH2 TIP3W1344 -13.703 -10.826 -17.434 1.00 0.00 WT1 O
+ATOM 2035 H1 TIP3W1344 -13.881 -10.175 -16.748 1.00 0.00 WT1 H
+ATOM 2036 H2 TIP3W1344 -13.229 -10.399 -18.117 1.00 0.00 WT1 H
+ATOM 2037 OH2 TIP3W1346 -3.187 -20.043 -21.214 1.00 0.00 WT1 O
+ATOM 2038 H1 TIP3W1346 -2.871 -20.908 -21.596 1.00 0.00 WT1 H
+ATOM 2039 H2 TIP3W1346 -3.495 -20.348 -20.348 1.00 0.00 WT1 H
+ATOM 2040 OH2 TIP3W1347 1.579 -25.588 -17.419 1.00 0.00 WT1 O
+ATOM 2041 H1 TIP3W1347 1.281 -25.797 -18.321 1.00 0.00 WT1 H
+ATOM 2042 H2 TIP3W1347 0.776 -25.230 -16.943 1.00 0.00 WT1 H
+ATOM 2043 OH2 TIP3W1349 -9.793 -19.043 -11.026 1.00 0.00 WT1 O
+ATOM 2044 H1 TIP3W1349 -9.799 -18.859 -11.971 1.00 0.00 WT1 H
+ATOM 2045 H2 TIP3W1349 -10.591 -18.613 -10.795 1.00 0.00 WT1 H
+ATOM 2046 OH2 TIP3W1352 -15.919 -24.860 -13.548 1.00 0.00 WT1 O
+ATOM 2047 H1 TIP3W1352 -16.483 -25.432 -12.898 1.00 0.00 WT1 H
+ATOM 2048 H2 TIP3W1352 -15.028 -25.115 -13.148 1.00 0.00 WT1 H
+ATOM 2049 OH2 TIP3W1353 0.477 29.601 -5.161 1.00 0.00 WT1 O
+ATOM 2050 H1 TIP3W1353 0.015 30.074 -4.491 1.00 0.00 WT1 H
+ATOM 2051 H2 TIP3W1353 -0.025 29.689 -5.989 1.00 0.00 WT1 H
+ATOM 2052 OH2 TIP3W1354 -22.404 -9.004 -1.833 1.00 0.00 WT1 O
+ATOM 2053 H1 TIP3W1354 -22.285 -8.822 -0.848 1.00 0.00 WT1 H
+ATOM 2054 H2 TIP3W1354 -21.585 -9.540 -1.974 1.00 0.00 WT1 H
+ATOM 2055 OH2 TIP3W1355 -11.239 -16.400 -0.046 1.00 0.00 WT1 O
+ATOM 2056 H1 TIP3W1355 -10.807 -17.281 -0.107 1.00 0.00 WT1 H
+ATOM 2057 H2 TIP3W1355 -12.000 -16.484 -0.613 1.00 0.00 WT1 H
+ATOM 2058 OH2 TIP3W1356 -16.805 -23.437 2.742 1.00 0.00 WT1 O
+ATOM 2059 H1 TIP3W1356 -16.407 -23.230 1.859 1.00 0.00 WT1 H
+ATOM 2060 H2 TIP3W1356 -16.115 -23.974 3.169 1.00 0.00 WT1 H
+ATOM 2061 OH2 TIP3W1357 -9.158 -23.768 17.493 1.00 0.00 WT1 O
+ATOM 2062 H1 TIP3W1357 -9.686 -23.805 16.685 1.00 0.00 WT1 H
+ATOM 2063 H2 TIP3W1357 -9.785 -23.541 18.230 1.00 0.00 WT1 H
+ATOM 2064 OH2 TIP3W1361 -5.329 -2.726 10.482 1.00 0.00 WT1 O
+ATOM 2065 H1 TIP3W1361 -5.388 -1.776 10.172 1.00 0.00 WT1 H
+ATOM 2066 H2 TIP3W1361 -6.234 -2.990 10.190 1.00 0.00 WT1 H
+ATOM 2067 OH2 TIP3W1367 -12.457 -14.922 -16.644 1.00 0.00 WT1 O
+ATOM 2068 H1 TIP3W1367 -13.355 -14.940 -16.274 1.00 0.00 WT1 H
+ATOM 2069 H2 TIP3W1367 -12.478 -15.705 -17.209 1.00 0.00 WT1 H
+ATOM 2070 OH2 TIP3W1368 -0.174 -24.801 -10.529 1.00 0.00 WT1 O
+ATOM 2071 H1 TIP3W1368 -0.734 -24.427 -9.806 1.00 0.00 WT1 H
+ATOM 2072 H2 TIP3W1368 -0.628 -25.638 -10.701 1.00 0.00 WT1 H
+ATOM 2073 OH2 TIP3W1370 -17.932 -26.690 -18.171 1.00 0.00 WT1 O
+ATOM 2074 H1 TIP3W1370 -17.527 -27.281 -18.799 1.00 0.00 WT1 H
+ATOM 2075 H2 TIP3W1370 -17.177 -26.622 -17.560 1.00 0.00 WT1 H
+ATOM 2076 OH2 TIP3W1371 -10.250 -17.502 -13.844 1.00 0.00 WT1 O
+ATOM 2077 H1 TIP3W1371 -10.737 -16.819 -14.311 1.00 0.00 WT1 H
+ATOM 2078 H2 TIP3W1371 -11.018 -18.032 -13.424 1.00 0.00 WT1 H
+ATOM 2079 OH2 TIP3W1372 -17.399 -30.708 1.494 1.00 0.00 WT1 O
+ATOM 2080 H1 TIP3W1372 -17.090 -29.814 1.545 1.00 0.00 WT1 H
+ATOM 2081 H2 TIP3W1372 -18.417 -30.534 1.573 1.00 0.00 WT1 H
+ATOM 2082 OH2 TIP3W1373 -20.965 30.445 -3.713 1.00 0.00 WT1 O
+ATOM 2083 H1 TIP3W1373 -20.688 29.866 -4.439 1.00 0.00 WT1 H
+ATOM 2084 H2 TIP3W1373 -21.897 30.565 -3.933 1.00 0.00 WT1 H
+ATOM 2085 OH2 TIP3W1374 -17.098 -18.152 -9.982 1.00 0.00 WT1 O
+ATOM 2086 H1 TIP3W1374 -16.307 -18.281 -9.485 1.00 0.00 WT1 H
+ATOM 2087 H2 TIP3W1374 -17.722 -18.416 -9.316 1.00 0.00 WT1 H
+ATOM 2088 OH2 TIP3W1376 -9.988 -19.249 -0.013 1.00 0.00 WT1 O
+ATOM 2089 H1 TIP3W1376 -10.417 -19.201 0.875 1.00 0.00 WT1 H
+ATOM 2090 H2 TIP3W1376 -9.070 -19.384 0.269 1.00 0.00 WT1 H
+ATOM 2091 OH2 TIP3W1379 -11.122 -29.606 17.378 1.00 0.00 WT1 O
+ATOM 2092 H1 TIP3W1379 -11.362 -28.684 17.444 1.00 0.00 WT1 H
+ATOM 2093 H2 TIP3W1379 -10.197 -29.574 17.806 1.00 0.00 WT1 H
+ATOM 2094 OH2 TIP3W1380 -16.179 -14.402 20.551 1.00 0.00 WT1 O
+ATOM 2095 H1 TIP3W1380 -15.406 -14.456 20.032 1.00 0.00 WT1 H
+ATOM 2096 H2 TIP3W1380 -16.482 -13.440 20.421 1.00 0.00 WT1 H
+ATOM 2097 OH2 TIP3W1387 -18.900 -24.054 -19.793 1.00 0.00 WT1 O
+ATOM 2098 H1 TIP3W1387 -18.092 -24.477 -20.110 1.00 0.00 WT1 H
+ATOM 2099 H2 TIP3W1387 -19.545 -24.680 -19.997 1.00 0.00 WT1 H
+ATOM 2100 OH2 TIP3W1388 -7.581 -17.881 -4.061 1.00 0.00 WT1 O
+ATOM 2101 H1 TIP3W1388 -6.844 -18.466 -3.956 1.00 0.00 WT1 H
+ATOM 2102 H2 TIP3W1388 -7.840 -17.954 -5.006 1.00 0.00 WT1 H
+ATOM 2103 OH2 TIP3W1389 -7.159 -18.508 -9.776 1.00 0.00 WT1 O
+ATOM 2104 H1 TIP3W1389 -6.988 -17.704 -9.279 1.00 0.00 WT1 H
+ATOM 2105 H2 TIP3W1389 -8.017 -18.375 -10.200 1.00 0.00 WT1 H
+ATOM 2106 OH2 TIP3W1392 -7.469 -16.065 -7.874 1.00 0.00 WT1 O
+ATOM 2107 H1 TIP3W1392 -8.396 -15.749 -7.959 1.00 0.00 WT1 H
+ATOM 2108 H2 TIP3W1392 -6.861 -15.327 -8.244 1.00 0.00 WT1 H
+ATOM 2109 OH2 TIP3W1394 -8.621 -25.077 5.084 1.00 0.00 WT1 O
+ATOM 2110 H1 TIP3W1394 -8.959 -24.205 5.460 1.00 0.00 WT1 H
+ATOM 2111 H2 TIP3W1394 -8.452 -25.699 5.835 1.00 0.00 WT1 H
+ATOM 2112 OH2 TIP3W1395 -18.851 -23.908 17.472 1.00 0.00 WT1 O
+ATOM 2113 H1 TIP3W1395 -19.488 -24.405 16.909 1.00 0.00 WT1 H
+ATOM 2114 H2 TIP3W1395 -19.266 -23.990 18.346 1.00 0.00 WT1 H
+ATOM 2115 OH2 TIP3W1396 -14.122 -11.481 7.449 1.00 0.00 WT1 O
+ATOM 2116 H1 TIP3W1396 -13.867 -11.094 8.304 1.00 0.00 WT1 H
+ATOM 2117 H2 TIP3W1396 -14.109 -12.445 7.616 1.00 0.00 WT1 H
+ATOM 2118 OH2 TIP3W1398 -6.958 -28.519 8.755 1.00 0.00 WT1 O
+ATOM 2119 H1 TIP3W1398 -6.891 -29.004 7.973 1.00 0.00 WT1 H
+ATOM 2120 H2 TIP3W1398 -6.899 -29.180 9.428 1.00 0.00 WT1 H
+ATOM 2121 OH2 TIP3W1401 -21.059 -25.678 16.691 1.00 0.00 WT1 O
+ATOM 2122 H1 TIP3W1401 -20.702 -26.426 16.196 1.00 0.00 WT1 H
+ATOM 2123 H2 TIP3W1401 -21.538 -26.144 17.399 1.00 0.00 WT1 H
+ATOM 2124 OH2 TIP3W1405 -8.791 30.641 21.415 1.00 0.00 WT1 O
+ATOM 2125 H1 TIP3W1405 -7.908 30.315 21.228 1.00 0.00 WT1 H
+ATOM 2126 H2 TIP3W1405 -9.355 30.207 20.727 1.00 0.00 WT1 H
+ATOM 2127 OH2 TIP3W1407 -9.323 -8.894 -15.868 1.00 0.00 WT1 O
+ATOM 2128 H1 TIP3W1407 -8.503 -8.507 -15.505 1.00 0.00 WT1 H
+ATOM 2129 H2 TIP3W1407 -8.917 -9.604 -16.455 1.00 0.00 WT1 H
+ATOM 2130 OH2 TIP3W1408 -18.297 -6.732 -21.719 1.00 0.00 WT1 O
+ATOM 2131 H1 TIP3W1408 -17.572 -7.110 -21.285 1.00 0.00 WT1 H
+ATOM 2132 H2 TIP3W1408 -18.958 -7.380 -21.681 1.00 0.00 WT1 H
+ATOM 2133 OH2 TIP3W1411 -12.556 -20.966 -19.760 1.00 0.00 WT1 O
+ATOM 2134 H1 TIP3W1411 -13.312 -21.580 -19.772 1.00 0.00 WT1 H
+ATOM 2135 H2 TIP3W1411 -12.053 -21.045 -20.533 1.00 0.00 WT1 H
+ATOM 2136 OH2 TIP3W1412 -12.036 -22.863 -11.879 1.00 0.00 WT1 O
+ATOM 2137 H1 TIP3W1412 -12.531 -22.064 -11.798 1.00 0.00 WT1 H
+ATOM 2138 H2 TIP3W1412 -11.126 -22.561 -11.857 1.00 0.00 WT1 H
+ATOM 2139 OH2 TIP3W1413 -5.390 -14.369 -9.417 1.00 0.00 WT1 O
+ATOM 2140 H1 TIP3W1413 -5.094 -15.322 -9.444 1.00 0.00 WT1 H
+ATOM 2141 H2 TIP3W1413 -5.718 -14.325 -10.339 1.00 0.00 WT1 H
+ATOM 2142 OH2 TIP3W1414 -20.581 -14.611 -2.072 1.00 0.00 WT1 O
+ATOM 2143 H1 TIP3W1414 -19.813 -15.082 -1.596 1.00 0.00 WT1 H
+ATOM 2144 H2 TIP3W1414 -20.413 -13.649 -1.929 1.00 0.00 WT1 H
+ATOM 2145 OH2 TIP3W1415 -9.033 -17.167 -1.759 1.00 0.00 WT1 O
+ATOM 2146 H1 TIP3W1415 -8.483 -17.448 -2.468 1.00 0.00 WT1 H
+ATOM 2147 H2 TIP3W1415 -9.164 -17.937 -1.215 1.00 0.00 WT1 H
+ATOM 2148 OH2 TIP3W1416 -14.590 -15.501 5.403 1.00 0.00 WT1 O
+ATOM 2149 H1 TIP3W1416 -15.198 -15.716 4.662 1.00 0.00 WT1 H
+ATOM 2150 H2 TIP3W1416 -14.315 -14.569 5.116 1.00 0.00 WT1 H
+ATOM 2151 OH2 TIP3W1418 -11.130 -30.057 -3.609 1.00 0.00 WT1 O
+ATOM 2152 H1 TIP3W1418 -11.855 -29.476 -3.464 1.00 0.00 WT1 H
+ATOM 2153 H2 TIP3W1418 -11.040 -30.545 -2.793 1.00 0.00 WT1 H
+ATOM 2154 OH2 TIP3W1419 -9.014 -10.732 16.829 1.00 0.00 WT1 O
+ATOM 2155 H1 TIP3W1419 -8.295 -10.239 16.354 1.00 0.00 WT1 H
+ATOM 2156 H2 TIP3W1419 -9.157 -11.589 16.414 1.00 0.00 WT1 H
+ATOM 2157 OH2 TIP3W1421 -6.946 -9.504 15.421 1.00 0.00 WT1 O
+ATOM 2158 H1 TIP3W1421 -6.343 -8.746 15.471 1.00 0.00 WT1 H
+ATOM 2159 H2 TIP3W1421 -6.332 -10.259 15.463 1.00 0.00 WT1 H
+ATOM 2160 OH2 TIP3W1428 -9.518 -29.493 -13.045 1.00 0.00 WT1 O
+ATOM 2161 H1 TIP3W1428 -9.783 -29.934 -13.899 1.00 0.00 WT1 H
+ATOM 2162 H2 TIP3W1428 -8.576 -29.558 -13.082 1.00 0.00 WT1 H
+ATOM 2163 OH2 TIP3W1429 -17.136 -23.340 -17.857 1.00 0.00 WT1 O
+ATOM 2164 H1 TIP3W1429 -17.864 -23.567 -18.483 1.00 0.00 WT1 H
+ATOM 2165 H2 TIP3W1429 -17.647 -23.637 -17.077 1.00 0.00 WT1 H
+ATOM 2166 OH2 TIP3W1430 -12.773 -6.788 -8.464 1.00 0.00 WT1 O
+ATOM 2167 H1 TIP3W1430 -11.930 -6.531 -8.030 1.00 0.00 WT1 H
+ATOM 2168 H2 TIP3W1430 -13.390 -6.262 -7.919 1.00 0.00 WT1 H
+ATOM 2169 OH2 TIP3W1431 6.371 -10.685 -17.691 1.00 0.00 WT1 O
+ATOM 2170 H1 TIP3W1431 5.549 -11.004 -18.131 1.00 0.00 WT1 H
+ATOM 2171 H2 TIP3W1431 6.075 -9.914 -17.119 1.00 0.00 WT1 H
+ATOM 2172 OH2 TIP3W1433 -19.289 -13.636 -5.891 1.00 0.00 WT1 O
+ATOM 2173 H1 TIP3W1433 -18.673 -13.135 -5.369 1.00 0.00 WT1 H
+ATOM 2174 H2 TIP3W1433 -18.970 -13.472 -6.786 1.00 0.00 WT1 H
+ATOM 2175 OH2 TIP3W1435 -15.989 -16.453 -1.731 1.00 0.00 WT1 O
+ATOM 2176 H1 TIP3W1435 -15.429 -17.247 -1.994 1.00 0.00 WT1 H
+ATOM 2177 H2 TIP3W1435 -15.381 -15.956 -1.173 1.00 0.00 WT1 H
+ATOM 2178 OH2 TIP3W1436 -18.202 -6.031 13.015 1.00 0.00 WT1 O
+ATOM 2179 H1 TIP3W1436 -18.076 -6.578 13.813 1.00 0.00 WT1 H
+ATOM 2180 H2 TIP3W1436 -18.842 -5.358 13.262 1.00 0.00 WT1 H
+ATOM 2181 OH2 TIP3W1437 -7.668 -27.397 4.266 1.00 0.00 WT1 O
+ATOM 2182 H1 TIP3W1437 -7.994 -26.473 4.316 1.00 0.00 WT1 H
+ATOM 2183 H2 TIP3W1437 -6.757 -27.332 3.946 1.00 0.00 WT1 H
+ATOM 2184 OH2 TIP3W1439 -16.024 -3.251 5.909 1.00 0.00 WT1 O
+ATOM 2185 H1 TIP3W1439 -15.029 -3.280 6.053 1.00 0.00 WT1 H
+ATOM 2186 H2 TIP3W1439 -16.079 -2.666 5.102 1.00 0.00 WT1 H
+ATOM 2187 OH2 TIP3W1440 -21.143 -28.427 -4.567 1.00 0.00 WT1 O
+ATOM 2188 H1 TIP3W1440 -21.050 -29.357 -4.947 1.00 0.00 WT1 H
+ATOM 2189 H2 TIP3W1440 -21.997 -28.125 -4.938 1.00 0.00 WT1 H
+ATOM 2190 OH2 TIP3W1442 -16.338 -18.902 1.038 1.00 0.00 WT1 O
+ATOM 2191 H1 TIP3W1442 -15.529 -18.585 0.677 1.00 0.00 WT1 H
+ATOM 2192 H2 TIP3W1442 -16.335 -18.606 1.938 1.00 0.00 WT1 H
+ATOM 2193 OH2 TIP3W1443 -14.553 0.366 18.704 1.00 0.00 WT1 O
+ATOM 2194 H1 TIP3W1443 -14.528 1.300 18.498 1.00 0.00 WT1 H
+ATOM 2195 H2 TIP3W1443 -14.563 -0.081 17.833 1.00 0.00 WT1 H
+ATOM 2196 OH2 TIP3W1450 -2.331 -6.424 -20.065 1.00 0.00 WT1 O
+ATOM 2197 H1 TIP3W1450 -2.114 -5.996 -19.240 1.00 0.00 WT1 H
+ATOM 2198 H2 TIP3W1450 -2.718 -7.309 -19.868 1.00 0.00 WT1 H
+ATOM 2199 OH2 TIP3W1451 -19.338 -9.531 -19.493 1.00 0.00 WT1 O
+ATOM 2200 H1 TIP3W1451 -19.924 -10.073 -18.946 1.00 0.00 WT1 H
+ATOM 2201 H2 TIP3W1451 -18.480 -9.997 -19.413 1.00 0.00 WT1 H
+ATOM 2202 OH2 TIP3W1453 -4.681 -4.264 -16.746 1.00 0.00 WT1 O
+ATOM 2203 H1 TIP3W1453 -5.412 -3.901 -17.232 1.00 0.00 WT1 H
+ATOM 2204 H2 TIP3W1453 -5.112 -4.935 -16.214 1.00 0.00 WT1 H
+ATOM 2205 OH2 TIP3W1454 -13.643 -12.800 -13.801 1.00 0.00 WT1 O
+ATOM 2206 H1 TIP3W1454 -12.696 -12.741 -14.020 1.00 0.00 WT1 H
+ATOM 2207 H2 TIP3W1454 -14.035 -13.205 -14.608 1.00 0.00 WT1 H
+ATOM 2208 OH2 TIP3W1455 -15.052 -9.094 -1.184 1.00 0.00 WT1 O
+ATOM 2209 H1 TIP3W1455 -15.277 -9.630 -0.456 1.00 0.00 WT1 H
+ATOM 2210 H2 TIP3W1455 -15.889 -9.004 -1.662 1.00 0.00 WT1 H
+ATOM 2211 OH2 TIP3W1456 -15.298 -17.194 18.521 1.00 0.00 WT1 O
+ATOM 2212 H1 TIP3W1456 -14.601 -17.692 18.991 1.00 0.00 WT1 H
+ATOM 2213 H2 TIP3W1456 -16.118 -17.449 18.943 1.00 0.00 WT1 H
+ATOM 2214 OH2 TIP3W1457 -9.246 -18.847 -6.717 1.00 0.00 WT1 O
+ATOM 2215 H1 TIP3W1457 -9.186 -18.839 -7.652 1.00 0.00 WT1 H
+ATOM 2216 H2 TIP3W1457 -9.734 -18.001 -6.561 1.00 0.00 WT1 H
+ATOM 2217 OH2 TIP3W1458 -14.242 -24.562 -2.765 1.00 0.00 WT1 O
+ATOM 2218 H1 TIP3W1458 -14.107 -24.115 -1.958 1.00 0.00 WT1 H
+ATOM 2219 H2 TIP3W1458 -13.484 -24.348 -3.294 1.00 0.00 WT1 H
+ATOM 2220 OH2 TIP3W1459 -17.148 -0.853 -0.375 1.00 0.00 WT1 O
+ATOM 2221 H1 TIP3W1459 -17.963 -0.619 0.141 1.00 0.00 WT1 H
+ATOM 2222 H2 TIP3W1459 -17.575 -1.493 -1.015 1.00 0.00 WT1 H
+ATOM 2223 OH2 TIP3W1460 -0.921 -7.087 16.784 1.00 0.00 WT1 O
+ATOM 2224 H1 TIP3W1460 -1.534 -7.408 17.410 1.00 0.00 WT1 H
+ATOM 2225 H2 TIP3W1460 -0.135 -6.870 17.318 1.00 0.00 WT1 H
+ATOM 2226 OH2 TIP3W1461 -10.274 -23.614 14.907 1.00 0.00 WT1 O
+ATOM 2227 H1 TIP3W1461 -11.071 -23.361 14.345 1.00 0.00 WT1 H
+ATOM 2228 H2 TIP3W1461 -9.672 -23.890 14.193 1.00 0.00 WT1 H
+ATOM 2229 OH2 TIP3W1463 -15.390 -8.497 18.042 1.00 0.00 WT1 O
+ATOM 2230 H1 TIP3W1463 -15.099 -7.923 18.835 1.00 0.00 WT1 H
+ATOM 2231 H2 TIP3W1463 -14.854 -8.185 17.320 1.00 0.00 WT1 H
+ATOM 2232 OH2 TIP3W1464 -12.569 -13.110 22.697 1.00 0.00 WT1 O
+ATOM 2233 H1 TIP3W1464 -12.458 -13.219 21.766 1.00 0.00 WT1 H
+ATOM 2234 H2 TIP3W1464 -13.479 -12.713 22.831 1.00 0.00 WT1 H
+ATOM 2235 OH2 TIP3W1465 -4.301 -1.773 20.348 1.00 0.00 WT1 O
+ATOM 2236 H1 TIP3W1465 -4.027 -1.239 19.673 1.00 0.00 WT1 H
+ATOM 2237 H2 TIP3W1465 -3.546 -1.961 20.901 1.00 0.00 WT1 H
+ATOM 2238 OH2 TIP3W1466 -18.704 0.710 -21.925 1.00 0.00 WT1 O
+ATOM 2239 H1 TIP3W1466 -18.289 1.513 -21.563 1.00 0.00 WT1 H
+ATOM 2240 H2 TIP3W1466 -17.956 0.069 -21.935 1.00 0.00 WT1 H
+ATOM 2241 OH2 TIP3W1471 -0.694 -22.917 -20.240 1.00 0.00 WT1 O
+ATOM 2242 H1 TIP3W1471 0.076 -23.442 -20.187 1.00 0.00 WT1 H
+ATOM 2243 H2 TIP3W1471 -1.307 -23.497 -20.636 1.00 0.00 WT1 H
+ATOM 2244 OH2 TIP3W1474 -15.685 -10.850 -13.868 1.00 0.00 WT1 O
+ATOM 2245 H1 TIP3W1474 -15.176 -11.663 -13.810 1.00 0.00 WT1 H
+ATOM 2246 H2 TIP3W1474 -15.112 -10.330 -14.435 1.00 0.00 WT1 H
+ATOM 2247 OH2 TIP3W1475 -6.325 -10.618 -1.042 1.00 0.00 WT1 O
+ATOM 2248 H1 TIP3W1475 -5.902 -11.534 -1.316 1.00 0.00 WT1 H
+ATOM 2249 H2 TIP3W1475 -5.798 -10.397 -0.321 1.00 0.00 WT1 H
+ATOM 2250 OH2 TIP3W1476 -18.528 -14.201 5.691 1.00 0.00 WT1 O
+ATOM 2251 H1 TIP3W1476 -19.311 -14.807 5.686 1.00 0.00 WT1 H
+ATOM 2252 H2 TIP3W1476 -17.750 -14.754 6.060 1.00 0.00 WT1 H
+ATOM 2253 OH2 TIP3W1477 -18.057 2.160 -1.301 1.00 0.00 WT1 O
+ATOM 2254 H1 TIP3W1477 -18.236 1.396 -1.855 1.00 0.00 WT1 H
+ATOM 2255 H2 TIP3W1477 -18.578 2.912 -1.748 1.00 0.00 WT1 H
+ATOM 2256 OH2 TIP3W1478 -6.508 -4.188 -6.731 1.00 0.00 WT1 O
+ATOM 2257 H1 TIP3W1478 -7.316 -3.801 -7.004 1.00 0.00 WT1 H
+ATOM 2258 H2 TIP3W1478 -6.099 -4.300 -7.613 1.00 0.00 WT1 H
+ATOM 2259 OH2 TIP3W1479 -12.525 -7.181 13.167 1.00 0.00 WT1 O
+ATOM 2260 H1 TIP3W1479 -12.395 -6.322 12.660 1.00 0.00 WT1 H
+ATOM 2261 H2 TIP3W1479 -11.536 -7.410 13.316 1.00 0.00 WT1 H
+ATOM 2262 OH2 TIP3W1480 -20.745 -3.851 -3.713 1.00 0.00 WT1 O
+ATOM 2263 H1 TIP3W1480 -20.000 -4.255 -4.123 1.00 0.00 WT1 H
+ATOM 2264 H2 TIP3W1480 -21.348 -3.684 -4.453 1.00 0.00 WT1 H
+ATOM 2265 OH2 TIP3W1481 -2.358 -7.852 10.145 1.00 0.00 WT1 O
+ATOM 2266 H1 TIP3W1481 -2.818 -8.487 9.525 1.00 0.00 WT1 H
+ATOM 2267 H2 TIP3W1481 -3.134 -7.609 10.773 1.00 0.00 WT1 H
+ATOM 2268 OH2 TIP3W1483 -20.327 8.782 17.715 1.00 0.00 WT1 O
+ATOM 2269 H1 TIP3W1483 -21.202 8.696 18.101 1.00 0.00 WT1 H
+ATOM 2270 H2 TIP3W1483 -19.744 8.257 18.315 1.00 0.00 WT1 H
+ATOM 2271 OH2 TIP3W1485 -7.614 3.562 19.290 1.00 0.00 WT1 O
+ATOM 2272 H1 TIP3W1485 -8.270 2.860 19.368 1.00 0.00 WT1 H
+ATOM 2273 H2 TIP3W1485 -6.831 3.094 19.614 1.00 0.00 WT1 H
+ATOM 2274 OH2 TIP3W1492 -18.057 8.661 -21.826 1.00 0.00 WT1 O
+ATOM 2275 H1 TIP3W1492 -17.787 7.760 -22.101 1.00 0.00 WT1 H
+ATOM 2276 H2 TIP3W1492 -19.067 8.591 -22.002 1.00 0.00 WT1 H
+ATOM 2277 OH2 TIP3W1493 -16.990 -8.527 -4.432 1.00 0.00 WT1 O
+ATOM 2278 H1 TIP3W1493 -16.859 -7.645 -4.009 1.00 0.00 WT1 H
+ATOM 2279 H2 TIP3W1493 -16.082 -8.803 -4.763 1.00 0.00 WT1 H
+ATOM 2280 OH2 TIP3W1494 -8.183 -24.592 -7.982 1.00 0.00 WT1 O
+ATOM 2281 H1 TIP3W1494 -9.054 -24.201 -8.283 1.00 0.00 WT1 H
+ATOM 2282 H2 TIP3W1494 -7.701 -24.726 -8.821 1.00 0.00 WT1 H
+ATOM 2283 OH2 TIP3W1497 -15.729 -21.269 -16.365 1.00 0.00 WT1 O
+ATOM 2284 H1 TIP3W1497 -16.479 -20.657 -16.394 1.00 0.00 WT1 H
+ATOM 2285 H2 TIP3W1497 -16.106 -22.020 -16.841 1.00 0.00 WT1 H
+ATOM 2286 OH2 TIP3W1498 -12.123 20.931 0.386 1.00 0.00 WT1 O
+ATOM 2287 H1 TIP3W1498 -11.742 21.061 -0.532 1.00 0.00 WT1 H
+ATOM 2288 H2 TIP3W1498 -13.053 20.677 0.156 1.00 0.00 WT1 H
+ATOM 2289 OH2 TIP3W1499 -10.829 -5.638 -2.846 1.00 0.00 WT1 O
+ATOM 2290 H1 TIP3W1499 -11.122 -4.911 -2.320 1.00 0.00 WT1 H
+ATOM 2291 H2 TIP3W1499 -11.600 -6.186 -2.907 1.00 0.00 WT1 H
+ATOM 2292 OH2 TIP3W1500 -6.383 0.654 13.091 1.00 0.00 WT1 O
+ATOM 2293 H1 TIP3W1500 -7.246 0.401 13.405 1.00 0.00 WT1 H
+ATOM 2294 H2 TIP3W1500 -5.942 1.231 13.733 1.00 0.00 WT1 H
+ATOM 2295 OH2 TIP3W1501 -17.179 -18.444 11.672 1.00 0.00 WT1 O
+ATOM 2296 H1 TIP3W1501 -16.931 -17.844 12.459 1.00 0.00 WT1 H
+ATOM 2297 H2 TIP3W1501 -17.383 -19.261 12.062 1.00 0.00 WT1 H
+ATOM 2298 OH2 TIP3W1502 -12.203 -4.643 18.943 1.00 0.00 WT1 O
+ATOM 2299 H1 TIP3W1502 -12.818 -3.889 18.855 1.00 0.00 WT1 H
+ATOM 2300 H2 TIP3W1502 -12.811 -5.302 18.622 1.00 0.00 WT1 H
+ATOM 2301 OH2 TIP3W1506 -5.119 0.610 15.781 1.00 0.00 WT1 O
+ATOM 2302 H1 TIP3W1506 -5.038 -0.260 15.475 1.00 0.00 WT1 H
+ATOM 2303 H2 TIP3W1506 -4.199 0.891 16.012 1.00 0.00 WT1 H
+ATOM 2304 OH2 TIP3W1507 -4.248 14.369 16.146 1.00 0.00 WT1 O
+ATOM 2305 H1 TIP3W1507 -3.338 14.358 15.759 1.00 0.00 WT1 H
+ATOM 2306 H2 TIP3W1507 -4.169 14.910 16.962 1.00 0.00 WT1 H
+ATOM 2307 OH2 TIP3W1512 -12.277 -10.907 -11.713 1.00 0.00 WT1 O
+ATOM 2308 H1 TIP3W1512 -11.572 -11.479 -12.009 1.00 0.00 WT1 H
+ATOM 2309 H2 TIP3W1512 -12.991 -11.446 -12.011 1.00 0.00 WT1 H
+ATOM 2310 OH2 TIP3W1514 -17.353 0.779 -10.375 1.00 0.00 WT1 O
+ATOM 2311 H1 TIP3W1514 -16.480 1.029 -10.488 1.00 0.00 WT1 H
+ATOM 2312 H2 TIP3W1514 -17.803 0.854 -11.240 1.00 0.00 WT1 H
+ATOM 2313 OH2 TIP3W1515 -5.897 -6.178 -14.905 1.00 0.00 WT1 O
+ATOM 2314 H1 TIP3W1515 -5.394 -6.616 -14.194 1.00 0.00 WT1 H
+ATOM 2315 H2 TIP3W1515 -6.584 -5.733 -14.342 1.00 0.00 WT1 H
+ATOM 2316 OH2 TIP3W1518 -18.257 -5.401 3.337 1.00 0.00 WT1 O
+ATOM 2317 H1 TIP3W1518 -18.493 -4.482 3.223 1.00 0.00 WT1 H
+ATOM 2318 H2 TIP3W1518 -17.823 -5.364 4.199 1.00 0.00 WT1 H
+ATOM 2319 OH2 TIP3W1519 -10.215 -2.754 -11.304 1.00 0.00 WT1 O
+ATOM 2320 H1 TIP3W1519 -9.276 -2.516 -11.209 1.00 0.00 WT1 H
+ATOM 2321 H2 TIP3W1519 -10.608 -2.026 -10.787 1.00 0.00 WT1 H
+ATOM 2322 OH2 TIP3W1520 -12.097 -2.995 13.473 1.00 0.00 WT1 O
+ATOM 2323 H1 TIP3W1520 -12.263 -2.059 13.605 1.00 0.00 WT1 H
+ATOM 2324 H2 TIP3W1520 -12.668 -3.195 12.676 1.00 0.00 WT1 H
+ATOM 2325 OH2 TIP3W1522 -17.314 -1.362 10.150 1.00 0.00 WT1 O
+ATOM 2326 H1 TIP3W1522 -16.549 -1.379 9.490 1.00 0.00 WT1 H
+ATOM 2327 H2 TIP3W1522 -17.921 -2.026 9.747 1.00 0.00 WT1 H
+ATOM 2328 OH2 TIP3W1523 -5.544 -2.775 6.486 1.00 0.00 WT1 O
+ATOM 2329 H1 TIP3W1523 -5.886 -1.964 6.989 1.00 0.00 WT1 H
+ATOM 2330 H2 TIP3W1523 -5.773 -3.502 7.164 1.00 0.00 WT1 H
+ATOM 2331 OH2 TIP3W1524 -21.239 -2.237 17.783 1.00 0.00 WT1 O
+ATOM 2332 H1 TIP3W1524 -21.202 -3.085 17.361 1.00 0.00 WT1 H
+ATOM 2333 H2 TIP3W1524 -22.029 -1.884 17.400 1.00 0.00 WT1 H
+ATOM 2334 OH2 TIP3W1526 3.830 0.308 18.504 1.00 0.00 WT1 O
+ATOM 2335 H1 TIP3W1526 4.325 1.041 18.077 1.00 0.00 WT1 H
+ATOM 2336 H2 TIP3W1526 4.438 -0.044 19.198 1.00 0.00 WT1 H
+ATOM 2337 OH2 TIP3W1527 -21.573 1.090 19.251 1.00 0.00 WT1 O
+ATOM 2338 H1 TIP3W1527 -22.229 0.407 19.263 1.00 0.00 WT1 H
+ATOM 2339 H2 TIP3W1527 -22.043 1.890 19.607 1.00 0.00 WT1 H
+ATOM 2340 OH2 TIP3W1531 -9.208 3.610 -13.103 1.00 0.00 WT1 O
+ATOM 2341 H1 TIP3W1531 -8.742 4.216 -12.593 1.00 0.00 WT1 H
+ATOM 2342 H2 TIP3W1531 -9.628 4.160 -13.789 1.00 0.00 WT1 H
+ATOM 2343 OH2 TIP3W1532 -9.351 -9.464 -7.561 1.00 0.00 WT1 O
+ATOM 2344 H1 TIP3W1532 -9.973 -9.882 -7.000 1.00 0.00 WT1 H
+ATOM 2345 H2 TIP3W1532 -8.559 -9.426 -7.014 1.00 0.00 WT1 H
+ATOM 2346 OH2 TIP3W1534 -3.350 0.412 -13.303 1.00 0.00 WT1 O
+ATOM 2347 H1 TIP3W1534 -3.479 -0.322 -13.840 1.00 0.00 WT1 H
+ATOM 2348 H2 TIP3W1534 -3.499 0.072 -12.437 1.00 0.00 WT1 H
+ATOM 2349 OH2 TIP3W1536 -7.293 13.162 -21.413 1.00 0.00 WT1 O
+ATOM 2350 H1 TIP3W1536 -6.588 13.784 -21.694 1.00 0.00 WT1 H
+ATOM 2351 H2 TIP3W1536 -7.868 13.783 -20.907 1.00 0.00 WT1 H
+ATOM 2352 OH2 TIP3W1537 -7.000 3.502 -10.270 1.00 0.00 WT1 O
+ATOM 2353 H1 TIP3W1537 -6.894 4.381 -10.634 1.00 0.00 WT1 H
+ATOM 2354 H2 TIP3W1537 -6.912 2.860 -11.044 1.00 0.00 WT1 H
+ATOM 2355 OH2 TIP3W1538 -7.585 0.103 -9.668 1.00 0.00 WT1 O
+ATOM 2356 H1 TIP3W1538 -7.509 0.730 -10.429 1.00 0.00 WT1 H
+ATOM 2357 H2 TIP3W1538 -6.730 0.200 -9.231 1.00 0.00 WT1 H
+ATOM 2358 OH2 TIP3W1542 -9.012 -8.047 1.426 1.00 0.00 WT1 O
+ATOM 2359 H1 TIP3W1542 -8.421 -7.595 0.765 1.00 0.00 WT1 H
+ATOM 2360 H2 TIP3W1542 -8.784 -8.999 1.239 1.00 0.00 WT1 H
+ATOM 2361 OH2 TIP3W1543 3.905 7.360 12.258 1.00 0.00 WT1 O
+ATOM 2362 H1 TIP3W1543 4.613 7.372 12.929 1.00 0.00 WT1 H
+ATOM 2363 H2 TIP3W1543 3.097 7.131 12.798 1.00 0.00 WT1 H
+ATOM 2364 OH2 TIP3W1544 -0.402 -24.594 14.887 1.00 0.00 WT1 O
+ATOM 2365 H1 TIP3W1544 -1.093 -24.654 14.140 1.00 0.00 WT1 H
+ATOM 2366 H2 TIP3W1544 0.294 -24.104 14.479 1.00 0.00 WT1 H
+ATOM 2367 OH2 TIP3W1545 -5.871 -0.041 10.454 1.00 0.00 WT1 O
+ATOM 2368 H1 TIP3W1545 -6.235 0.016 11.398 1.00 0.00 WT1 H
+ATOM 2369 H2 TIP3W1545 -6.206 0.863 10.093 1.00 0.00 WT1 H
+ATOM 2370 OH2 TIP3W1546 -20.919 2.308 6.588 1.00 0.00 WT1 O
+ATOM 2371 H1 TIP3W1546 -21.407 1.533 6.287 1.00 0.00 WT1 H
+ATOM 2372 H2 TIP3W1546 -20.336 1.940 7.284 1.00 0.00 WT1 H
+ATOM 2373 OH2 TIP3W1547 3.685 -7.454 16.786 1.00 0.00 WT1 O
+ATOM 2374 H1 TIP3W1547 4.672 -7.255 16.699 1.00 0.00 WT1 H
+ATOM 2375 H2 TIP3W1547 3.288 -6.671 17.078 1.00 0.00 WT1 H
+ATOM 2376 OH2 TIP3W1548 -12.183 -7.969 20.444 1.00 0.00 WT1 O
+ATOM 2377 H1 TIP3W1548 -13.041 -7.615 20.227 1.00 0.00 WT1 H
+ATOM 2378 H2 TIP3W1548 -12.250 -7.982 21.407 1.00 0.00 WT1 H
+ATOM 2379 OH2 TIP3W1552 -16.586 -0.102 -16.139 1.00 0.00 WT1 O
+ATOM 2380 H1 TIP3W1552 -17.163 0.589 -16.461 1.00 0.00 WT1 H
+ATOM 2381 H2 TIP3W1552 -15.780 0.400 -15.827 1.00 0.00 WT1 H
+ATOM 2382 OH2 TIP3W1555 -8.269 8.592 -7.036 1.00 0.00 WT1 O
+ATOM 2383 H1 TIP3W1555 -8.639 8.788 -7.908 1.00 0.00 WT1 H
+ATOM 2384 H2 TIP3W1555 -8.253 7.604 -7.049 1.00 0.00 WT1 H
+ATOM 2385 OH2 TIP3W1557 -20.552 6.700 1.607 1.00 0.00 WT1 O
+ATOM 2386 H1 TIP3W1557 -21.297 7.001 1.058 1.00 0.00 WT1 H
+ATOM 2387 H2 TIP3W1557 -20.277 7.539 2.086 1.00 0.00 WT1 H
+ATOM 2388 OH2 TIP3W1559 -15.768 -12.341 -3.044 1.00 0.00 WT1 O
+ATOM 2389 H1 TIP3W1559 -14.900 -12.340 -2.568 1.00 0.00 WT1 H
+ATOM 2390 H2 TIP3W1559 -15.617 -12.538 -3.982 1.00 0.00 WT1 H
+ATOM 2391 OH2 TIP3W1562 -13.757 19.577 3.304 1.00 0.00 WT1 O
+ATOM 2392 H1 TIP3W1562 -13.367 18.927 3.879 1.00 0.00 WT1 H
+ATOM 2393 H2 TIP3W1562 -13.421 20.415 3.565 1.00 0.00 WT1 H
+ATOM 2394 OH2 TIP3W1565 -11.293 9.070 10.346 1.00 0.00 WT1 O
+ATOM 2395 H1 TIP3W1565 -12.107 8.627 10.745 1.00 0.00 WT1 H
+ATOM 2396 H2 TIP3W1565 -10.719 8.309 10.225 1.00 0.00 WT1 H
+ATOM 2397 OH2 TIP3W1566 -8.142 4.257 22.865 1.00 0.00 WT1 O
+ATOM 2398 H1 TIP3W1566 -8.676 3.417 22.769 1.00 0.00 WT1 H
+ATOM 2399 H2 TIP3W1566 -8.656 4.859 22.355 1.00 0.00 WT1 H
+ATOM 2400 OH2 TIP3W1568 17.559 12.337 23.027 1.00 0.00 WT1 O
+ATOM 2401 H1 TIP3W1568 18.536 12.353 23.158 1.00 0.00 WT1 H
+ATOM 2402 H2 TIP3W1568 17.429 12.890 22.272 1.00 0.00 WT1 H
+ATOM 2403 OH2 TIP3W1569 -11.721 12.997 20.767 1.00 0.00 WT1 O
+ATOM 2404 H1 TIP3W1569 -10.955 12.642 20.357 1.00 0.00 WT1 H
+ATOM 2405 H2 TIP3W1569 -12.405 13.150 20.056 1.00 0.00 WT1 H
+ATOM 2406 OH2 TIP3W1570 -15.811 12.384 20.992 1.00 0.00 WT1 O
+ATOM 2407 H1 TIP3W1570 -16.534 12.245 20.363 1.00 0.00 WT1 H
+ATOM 2408 H2 TIP3W1570 -15.177 11.680 20.725 1.00 0.00 WT1 H
+ATOM 2409 OH2 TIP3W1576 -11.094 8.429 -2.521 1.00 0.00 WT1 O
+ATOM 2410 H1 TIP3W1576 -11.490 8.570 -1.689 1.00 0.00 WT1 H
+ATOM 2411 H2 TIP3W1576 -10.283 8.919 -2.453 1.00 0.00 WT1 H
+ATOM 2412 OH2 TIP3W1577 -7.829 9.452 -17.075 1.00 0.00 WT1 O
+ATOM 2413 H1 TIP3W1577 -7.548 10.187 -17.687 1.00 0.00 WT1 H
+ATOM 2414 H2 TIP3W1577 -8.313 8.906 -17.683 1.00 0.00 WT1 H
+ATOM 2415 OH2 TIP3W1578 -4.139 17.206 -20.899 1.00 0.00 WT1 O
+ATOM 2416 H1 TIP3W1578 -4.834 17.452 -20.222 1.00 0.00 WT1 H
+ATOM 2417 H2 TIP3W1578 -3.348 17.746 -20.569 1.00 0.00 WT1 H
+ATOM 2418 OH2 TIP3W1579 8.775 21.099 -9.957 1.00 0.00 WT1 O
+ATOM 2419 H1 TIP3W1579 8.230 21.519 -10.641 1.00 0.00 WT1 H
+ATOM 2420 H2 TIP3W1579 8.864 20.202 -10.308 1.00 0.00 WT1 H
+ATOM 2421 OH2 TIP3W1580 2.438 14.666 -2.868 1.00 0.00 WT1 O
+ATOM 2422 H1 TIP3W1580 2.925 15.366 -3.276 1.00 0.00 WT1 H
+ATOM 2423 H2 TIP3W1580 3.106 14.224 -2.359 1.00 0.00 WT1 H
+ATOM 2424 OH2 TIP3W1581 -11.011 9.521 0.849 1.00 0.00 WT1 O
+ATOM 2425 H1 TIP3W1581 -10.101 9.749 0.993 1.00 0.00 WT1 H
+ATOM 2426 H2 TIP3W1581 -11.327 10.324 0.361 1.00 0.00 WT1 H
+ATOM 2427 OH2 TIP3W1582 -5.535 3.372 -7.608 1.00 0.00 WT1 O
+ATOM 2428 H1 TIP3W1582 -6.414 3.002 -7.495 1.00 0.00 WT1 H
+ATOM 2429 H2 TIP3W1582 -4.988 2.904 -6.940 1.00 0.00 WT1 H
+ATOM 2430 OH2 TIP3W1583 4.854 2.574 -11.448 1.00 0.00 WT1 O
+ATOM 2431 H1 TIP3W1583 4.152 3.217 -11.769 1.00 0.00 WT1 H
+ATOM 2432 H2 TIP3W1583 4.481 2.130 -10.688 1.00 0.00 WT1 H
+ATOM 2433 OH2 TIP3W1586 -11.999 8.317 7.638 1.00 0.00 WT1 O
+ATOM 2434 H1 TIP3W1586 -12.351 9.172 7.806 1.00 0.00 WT1 H
+ATOM 2435 H2 TIP3W1586 -11.629 7.966 8.445 1.00 0.00 WT1 H
+ATOM 2436 OH2 TIP3W1587 -10.050 -2.968 6.228 1.00 0.00 WT1 O
+ATOM 2437 H1 TIP3W1587 -10.339 -3.607 5.525 1.00 0.00 WT1 H
+ATOM 2438 H2 TIP3W1587 -9.225 -2.752 5.874 1.00 0.00 WT1 H
+ATOM 2439 OH2 TIP3W1589 -20.988 4.648 15.394 1.00 0.00 WT1 O
+ATOM 2440 H1 TIP3W1589 -20.608 5.392 14.867 1.00 0.00 WT1 H
+ATOM 2441 H2 TIP3W1589 -20.252 4.460 16.052 1.00 0.00 WT1 H
+ATOM 2442 OH2 TIP3W1590 -9.149 4.915 16.774 1.00 0.00 WT1 O
+ATOM 2443 H1 TIP3W1590 -8.708 5.295 17.544 1.00 0.00 WT1 H
+ATOM 2444 H2 TIP3W1590 -9.047 3.941 16.888 1.00 0.00 WT1 H
+ATOM 2445 OH2 TIP3W1592 -21.422 -9.510 6.924 1.00 0.00 WT1 O
+ATOM 2446 H1 TIP3W1592 -20.594 -10.016 6.795 1.00 0.00 WT1 H
+ATOM 2447 H2 TIP3W1592 -22.080 -9.821 6.264 1.00 0.00 WT1 H
+ATOM 2448 OH2 TIP3W1593 0.341 -1.311 19.412 1.00 0.00 WT1 O
+ATOM 2449 H1 TIP3W1593 0.364 -0.988 18.502 1.00 0.00 WT1 H
+ATOM 2450 H2 TIP3W1593 -0.323 -2.082 19.390 1.00 0.00 WT1 H
+ATOM 2451 OH2 TIP3W1598 -9.698 7.981 4.206 1.00 0.00 WT1 O
+ATOM 2452 H1 TIP3W1598 -10.479 7.440 3.864 1.00 0.00 WT1 H
+ATOM 2453 H2 TIP3W1598 -9.865 8.925 3.929 1.00 0.00 WT1 H
+ATOM 2454 OH2 TIP3W1599 -18.530 12.058 -10.698 1.00 0.00 WT1 O
+ATOM 2455 H1 TIP3W1599 -18.170 12.509 -9.968 1.00 0.00 WT1 H
+ATOM 2456 H2 TIP3W1599 -17.690 11.946 -11.251 1.00 0.00 WT1 H
+ATOM 2457 OH2 TIP3W1600 -19.497 8.687 -0.614 1.00 0.00 WT1 O
+ATOM 2458 H1 TIP3W1600 -19.330 9.546 -1.074 1.00 0.00 WT1 H
+ATOM 2459 H2 TIP3W1600 -20.485 8.608 -0.589 1.00 0.00 WT1 H
+ATOM 2460 OH2 TIP3W1602 -7.785 14.777 11.808 1.00 0.00 WT1 O
+ATOM 2461 H1 TIP3W1602 -8.520 14.174 11.739 1.00 0.00 WT1 H
+ATOM 2462 H2 TIP3W1602 -7.314 14.454 12.660 1.00 0.00 WT1 H
+ATOM 2463 OH2 TIP3W1603 -8.790 0.381 5.355 1.00 0.00 WT1 O
+ATOM 2464 H1 TIP3W1603 -9.498 0.613 4.700 1.00 0.00 WT1 H
+ATOM 2465 H2 TIP3W1603 -8.375 -0.418 4.990 1.00 0.00 WT1 H
+ATOM 2466 OH2 TIP3W1604 -12.065 16.180 -7.807 1.00 0.00 WT1 O
+ATOM 2467 H1 TIP3W1604 -12.477 17.025 -7.519 1.00 0.00 WT1 H
+ATOM 2468 H2 TIP3W1604 -11.629 16.488 -8.634 1.00 0.00 WT1 H
+ATOM 2469 OH2 TIP3W1605 -14.143 18.159 -18.245 1.00 0.00 WT1 O
+ATOM 2470 H1 TIP3W1605 -14.766 18.290 -17.542 1.00 0.00 WT1 H
+ATOM 2471 H2 TIP3W1605 -13.507 17.492 -17.860 1.00 0.00 WT1 H
+ATOM 2472 OH2 TIP3W1607 -14.173 28.057 12.382 1.00 0.00 WT1 O
+ATOM 2473 H1 TIP3W1607 -13.193 27.975 12.683 1.00 0.00 WT1 H
+ATOM 2474 H2 TIP3W1607 -14.304 27.389 11.658 1.00 0.00 WT1 H
+ATOM 2475 OH2 TIP3W1608 -1.858 7.996 10.177 1.00 0.00 WT1 O
+ATOM 2476 H1 TIP3W1608 -0.941 7.681 10.092 1.00 0.00 WT1 H
+ATOM 2477 H2 TIP3W1608 -2.326 7.393 9.560 1.00 0.00 WT1 H
+ATOM 2478 OH2 TIP3W1609 -11.445 -1.923 18.474 1.00 0.00 WT1 O
+ATOM 2479 H1 TIP3W1609 -11.209 -1.622 19.388 1.00 0.00 WT1 H
+ATOM 2480 H2 TIP3W1609 -11.105 -2.816 18.454 1.00 0.00 WT1 H
+ATOM 2481 OH2 TIP3W1610 0.994 9.828 15.949 1.00 0.00 WT1 O
+ATOM 2482 H1 TIP3W1610 1.995 9.915 15.699 1.00 0.00 WT1 H
+ATOM 2483 H2 TIP3W1610 0.976 8.998 16.498 1.00 0.00 WT1 H
+ATOM 2484 OH2 TIP3W1611 -14.611 -12.377 -0.449 1.00 0.00 WT1 O
+ATOM 2485 H1 TIP3W1611 -13.954 -11.753 -0.759 1.00 0.00 WT1 H
+ATOM 2486 H2 TIP3W1611 -15.145 -11.917 0.307 1.00 0.00 WT1 H
+ATOM 2487 OH2 TIP3W1612 -18.920 3.373 9.799 1.00 0.00 WT1 O
+ATOM 2488 H1 TIP3W1612 -17.979 3.541 10.125 1.00 0.00 WT1 H
+ATOM 2489 H2 TIP3W1612 -19.111 4.129 9.219 1.00 0.00 WT1 H
+ATOM 2490 OH2 TIP3W1616 -11.333 10.066 -19.614 1.00 0.00 WT1 O
+ATOM 2491 H1 TIP3W1616 -12.081 9.490 -19.888 1.00 0.00 WT1 H
+ATOM 2492 H2 TIP3W1616 -11.396 10.847 -20.145 1.00 0.00 WT1 H
+ATOM 2493 OH2 TIP3W1617 3.576 14.041 -21.605 1.00 0.00 WT1 O
+ATOM 2494 H1 TIP3W1617 4.097 14.521 -22.301 1.00 0.00 WT1 H
+ATOM 2495 H2 TIP3W1617 4.269 13.830 -20.903 1.00 0.00 WT1 H
+ATOM 2496 OH2 TIP3W1618 -18.742 -1.027 -8.280 1.00 0.00 WT1 O
+ATOM 2497 H1 TIP3W1618 -18.073 -0.692 -8.893 1.00 0.00 WT1 H
+ATOM 2498 H2 TIP3W1618 -18.604 -1.969 -8.302 1.00 0.00 WT1 H
+ATOM 2499 OH2 TIP3W1620 -10.666 20.213 -9.499 1.00 0.00 WT1 O
+ATOM 2500 H1 TIP3W1620 -10.975 21.087 -9.429 1.00 0.00 WT1 H
+ATOM 2501 H2 TIP3W1620 -10.172 20.129 -8.718 1.00 0.00 WT1 H
+ATOM 2502 OH2 TIP3W1622 -15.595 21.763 -10.985 1.00 0.00 WT1 O
+ATOM 2503 H1 TIP3W1622 -16.473 21.624 -11.406 1.00 0.00 WT1 H
+ATOM 2504 H2 TIP3W1622 -15.387 20.894 -10.657 1.00 0.00 WT1 H
+ATOM 2505 OH2 TIP3W1623 -9.624 11.997 -4.018 1.00 0.00 WT1 O
+ATOM 2506 H1 TIP3W1623 -9.775 11.004 -4.136 1.00 0.00 WT1 H
+ATOM 2507 H2 TIP3W1623 -8.664 12.079 -4.361 1.00 0.00 WT1 H
+ATOM 2508 OH2 TIP3W1625 -19.702 11.114 -1.996 1.00 0.00 WT1 O
+ATOM 2509 H1 TIP3W1625 -20.158 11.281 -2.842 1.00 0.00 WT1 H
+ATOM 2510 H2 TIP3W1625 -20.217 11.657 -1.376 1.00 0.00 WT1 H
+ATOM 2511 OH2 TIP3W1626 -15.261 5.460 13.170 1.00 0.00 WT1 O
+ATOM 2512 H1 TIP3W1626 -16.090 5.850 13.499 1.00 0.00 WT1 H
+ATOM 2513 H2 TIP3W1626 -14.701 5.510 13.982 1.00 0.00 WT1 H
+ATOM 2514 OH2 TIP3W1627 -19.300 25.021 10.552 1.00 0.00 WT1 O
+ATOM 2515 H1 TIP3W1627 -18.526 25.578 10.522 1.00 0.00 WT1 H
+ATOM 2516 H2 TIP3W1627 -19.059 24.212 10.127 1.00 0.00 WT1 H
+ATOM 2517 OH2 TIP3W1628 -13.215 18.254 -6.459 1.00 0.00 WT1 O
+ATOM 2518 H1 TIP3W1628 -12.483 17.899 -5.887 1.00 0.00 WT1 H
+ATOM 2519 H2 TIP3W1628 -13.934 18.445 -5.835 1.00 0.00 WT1 H
+ATOM 2520 OH2 TIP3W1629 -22.037 4.967 11.079 1.00 0.00 WT1 O
+ATOM 2521 H1 TIP3W1629 -22.205 5.365 10.226 1.00 0.00 WT1 H
+ATOM 2522 H2 TIP3W1629 -21.951 4.059 10.923 1.00 0.00 WT1 H
+ATOM 2523 OH2 TIP3W1632 -7.196 21.666 8.714 1.00 0.00 WT1 O
+ATOM 2524 H1 TIP3W1632 -6.976 22.062 9.521 1.00 0.00 WT1 H
+ATOM 2525 H2 TIP3W1632 -7.925 21.052 8.875 1.00 0.00 WT1 H
+ATOM 2526 OH2 TIP3W1638 5.545 1.286 -17.782 1.00 0.00 WT1 O
+ATOM 2527 H1 TIP3W1638 5.453 0.414 -17.439 1.00 0.00 WT1 H
+ATOM 2528 H2 TIP3W1638 4.895 1.259 -18.526 1.00 0.00 WT1 H
+ATOM 2529 OH2 TIP3W1639 -6.318 18.202 -9.221 1.00 0.00 WT1 O
+ATOM 2530 H1 TIP3W1639 -5.477 17.904 -9.604 1.00 0.00 WT1 H
+ATOM 2531 H2 TIP3W1639 -6.513 19.040 -9.667 1.00 0.00 WT1 H
+ATOM 2532 OH2 TIP3W1641 5.511 16.962 -5.997 1.00 0.00 WT1 O
+ATOM 2533 H1 TIP3W1641 6.474 17.085 -6.002 1.00 0.00 WT1 H
+ATOM 2534 H2 TIP3W1641 5.263 17.393 -6.838 1.00 0.00 WT1 H
+ATOM 2535 OH2 TIP3W1642 -20.584 0.282 3.663 1.00 0.00 WT1 O
+ATOM 2536 H1 TIP3W1642 -19.936 0.849 4.243 1.00 0.00 WT1 H
+ATOM 2537 H2 TIP3W1642 -20.802 0.885 2.954 1.00 0.00 WT1 H
+ATOM 2538 OH2 TIP3W1643 -17.012 0.725 -6.480 1.00 0.00 WT1 O
+ATOM 2539 H1 TIP3W1643 -17.462 -0.078 -6.181 1.00 0.00 WT1 H
+ATOM 2540 H2 TIP3W1643 -17.507 1.379 -5.988 1.00 0.00 WT1 H
+ATOM 2541 OH2 TIP3W1644 12.143 26.520 2.661 1.00 0.00 WT1 O
+ATOM 2542 H1 TIP3W1644 12.656 27.045 3.264 1.00 0.00 WT1 H
+ATOM 2543 H2 TIP3W1644 12.745 26.203 1.984 1.00 0.00 WT1 H
+ATOM 2544 OH2 TIP3W1645 -12.565 20.251 -13.944 1.00 0.00 WT1 O
+ATOM 2545 H1 TIP3W1645 -13.233 19.514 -14.081 1.00 0.00 WT1 H
+ATOM 2546 H2 TIP3W1645 -11.710 19.840 -13.970 1.00 0.00 WT1 H
+ATOM 2547 OH2 TIP3W1646 -13.944 14.912 7.202 1.00 0.00 WT1 O
+ATOM 2548 H1 TIP3W1646 -14.065 15.578 6.531 1.00 0.00 WT1 H
+ATOM 2549 H2 TIP3W1646 -14.900 14.711 7.394 1.00 0.00 WT1 H
+ATOM 2550 OH2 TIP3W1647 -16.607 14.544 -3.289 1.00 0.00 WT1 O
+ATOM 2551 H1 TIP3W1647 -16.024 14.283 -3.992 1.00 0.00 WT1 H
+ATOM 2552 H2 TIP3W1647 -16.251 14.165 -2.559 1.00 0.00 WT1 H
+ATOM 2553 OH2 TIP3W1648 -18.988 30.131 -1.680 1.00 0.00 WT1 O
+ATOM 2554 H1 TIP3W1648 -18.788 31.076 -1.437 1.00 0.00 WT1 H
+ATOM 2555 H2 TIP3W1648 -19.766 30.234 -2.276 1.00 0.00 WT1 H
+ATOM 2556 OH2 TIP3W1649 -9.364 27.800 8.899 1.00 0.00 WT1 O
+ATOM 2557 H1 TIP3W1649 -9.319 27.333 8.045 1.00 0.00 WT1 H
+ATOM 2558 H2 TIP3W1649 -9.089 27.140 9.528 1.00 0.00 WT1 H
+ATOM 2559 OH2 TIP3W1651 -19.107 14.811 6.489 1.00 0.00 WT1 O
+ATOM 2560 H1 TIP3W1651 -19.436 14.027 6.151 1.00 0.00 WT1 H
+ATOM 2561 H2 TIP3W1651 -18.594 15.236 5.763 1.00 0.00 WT1 H
+ATOM 2562 OH2 TIP3W1653 -16.654 27.201 13.918 1.00 0.00 WT1 O
+ATOM 2563 H1 TIP3W1653 -16.003 27.767 13.567 1.00 0.00 WT1 H
+ATOM 2564 H2 TIP3W1653 -16.123 26.660 14.539 1.00 0.00 WT1 H
+ATOM 2565 OH2 TIP3W1655 -13.306 2.852 22.975 1.00 0.00 WT1 O
+ATOM 2566 H1 TIP3W1655 -14.181 3.064 22.810 1.00 0.00 WT1 H
+ATOM 2567 H2 TIP3W1655 -13.058 2.161 22.326 1.00 0.00 WT1 H
+ATOM 2568 OH2 TIP3W1656 -20.920 17.388 -19.909 1.00 0.00 WT1 O
+ATOM 2569 H1 TIP3W1656 -20.050 17.615 -19.605 1.00 0.00 WT1 H
+ATOM 2570 H2 TIP3W1656 -20.820 16.653 -20.549 1.00 0.00 WT1 H
+ATOM 2571 OH2 TIP3W1658 -5.059 8.469 -21.599 1.00 0.00 WT1 O
+ATOM 2572 H1 TIP3W1658 -5.858 9.011 -21.854 1.00 0.00 WT1 H
+ATOM 2573 H2 TIP3W1658 -4.391 8.615 -22.276 1.00 0.00 WT1 H
+ATOM 2574 OH2 TIP3W1659 -4.261 23.981 -14.352 1.00 0.00 WT1 O
+ATOM 2575 H1 TIP3W1659 -3.787 24.894 -14.399 1.00 0.00 WT1 H
+ATOM 2576 H2 TIP3W1659 -4.647 24.029 -13.496 1.00 0.00 WT1 H
+ATOM 2577 OH2 TIP3W1661 -10.762 31.054 -19.062 1.00 0.00 WT1 O
+ATOM 2578 H1 TIP3W1661 -10.355 30.471 -18.392 1.00 0.00 WT1 H
+ATOM 2579 H2 TIP3W1661 -10.802 31.900 -18.635 1.00 0.00 WT1 H
+ATOM 2580 OH2 TIP3W1663 -7.464 26.072 -4.085 1.00 0.00 WT1 O
+ATOM 2581 H1 TIP3W1663 -8.151 26.045 -3.381 1.00 0.00 WT1 H
+ATOM 2582 H2 TIP3W1663 -7.344 25.103 -4.334 1.00 0.00 WT1 H
+ATOM 2583 OH2 TIP3W1664 -18.070 21.982 -2.832 1.00 0.00 WT1 O
+ATOM 2584 H1 TIP3W1664 -18.474 21.869 -2.000 1.00 0.00 WT1 H
+ATOM 2585 H2 TIP3W1664 -18.847 21.879 -3.404 1.00 0.00 WT1 H
+ATOM 2586 OH2 TIP3W1666 9.195 8.132 -4.524 1.00 0.00 WT1 O
+ATOM 2587 H1 TIP3W1666 10.121 8.046 -4.877 1.00 0.00 WT1 H
+ATOM 2588 H2 TIP3W1666 8.625 7.961 -5.281 1.00 0.00 WT1 H
+ATOM 2589 OH2 TIP3W1667 -8.973 19.934 -6.914 1.00 0.00 WT1 O
+ATOM 2590 H1 TIP3W1667 -8.849 18.970 -7.091 1.00 0.00 WT1 H
+ATOM 2591 H2 TIP3W1667 -8.149 20.239 -6.530 1.00 0.00 WT1 H
+ATOM 2592 OH2 TIP3W1668 -12.095 19.835 8.190 1.00 0.00 WT1 O
+ATOM 2593 H1 TIP3W1668 -11.845 18.961 8.433 1.00 0.00 WT1 H
+ATOM 2594 H2 TIP3W1668 -12.859 20.079 8.821 1.00 0.00 WT1 H
+ATOM 2595 OH2 TIP3W1670 -11.669 -25.768 5.173 1.00 0.00 WT1 O
+ATOM 2596 H1 TIP3W1670 -10.945 -25.932 4.514 1.00 0.00 WT1 H
+ATOM 2597 H2 TIP3W1670 -11.447 -26.391 5.862 1.00 0.00 WT1 H
+ATOM 2598 OH2 TIP3W1671 -11.355 14.572 13.871 1.00 0.00 WT1 O
+ATOM 2599 H1 TIP3W1671 -10.597 14.920 14.374 1.00 0.00 WT1 H
+ATOM 2600 H2 TIP3W1671 -12.002 14.363 14.579 1.00 0.00 WT1 H
+ATOM 2601 OH2 TIP3W1681 1.509 15.721 -16.252 1.00 0.00 WT1 O
+ATOM 2602 H1 TIP3W1681 0.865 16.407 -16.247 1.00 0.00 WT1 H
+ATOM 2603 H2 TIP3W1681 1.035 15.045 -16.697 1.00 0.00 WT1 H
+ATOM 2604 OH2 TIP3W1683 -11.014 17.383 -4.979 1.00 0.00 WT1 O
+ATOM 2605 H1 TIP3W1683 -10.877 17.922 -4.165 1.00 0.00 WT1 H
+ATOM 2606 H2 TIP3W1683 -10.663 16.470 -4.806 1.00 0.00 WT1 H
+ATOM 2607 OH2 TIP3W1686 -7.706 12.603 -7.845 1.00 0.00 WT1 O
+ATOM 2608 H1 TIP3W1686 -6.848 12.498 -8.122 1.00 0.00 WT1 H
+ATOM 2609 H2 TIP3W1686 -7.695 12.050 -7.057 1.00 0.00 WT1 H
+ATOM 2610 OH2 TIP3W1687 -15.163 26.618 -1.785 1.00 0.00 WT1 O
+ATOM 2611 H1 TIP3W1687 -15.793 25.860 -2.095 1.00 0.00 WT1 H
+ATOM 2612 H2 TIP3W1687 -15.703 27.388 -1.857 1.00 0.00 WT1 H
+ATOM 2613 OH2 TIP3W1688 -5.396 24.610 -18.634 1.00 0.00 WT1 O
+ATOM 2614 H1 TIP3W1688 -5.385 25.186 -19.395 1.00 0.00 WT1 H
+ATOM 2615 H2 TIP3W1688 -5.965 23.844 -18.947 1.00 0.00 WT1 H
+ATOM 2616 OH2 TIP3W1689 -10.369 31.806 -4.707 1.00 0.00 WT1 O
+ATOM 2617 H1 TIP3W1689 -11.281 31.768 -4.418 1.00 0.00 WT1 H
+ATOM 2618 H2 TIP3W1689 -10.000 31.877 -3.809 1.00 0.00 WT1 H
+ATOM 2619 OH2 TIP3W1691 -17.956 16.880 -2.199 1.00 0.00 WT1 O
+ATOM 2620 H1 TIP3W1691 -17.464 16.083 -1.919 1.00 0.00 WT1 H
+ATOM 2621 H2 TIP3W1691 -17.498 17.087 -3.020 1.00 0.00 WT1 H
+ATOM 2622 OH2 TIP3W1692 -9.893 -31.077 12.268 1.00 0.00 WT1 O
+ATOM 2623 H1 TIP3W1692 -9.232 -30.530 11.821 1.00 0.00 WT1 H
+ATOM 2624 H2 TIP3W1692 -9.451 -31.332 13.123 1.00 0.00 WT1 H
+ATOM 2625 OH2 TIP3W1693 -13.627 16.951 9.403 1.00 0.00 WT1 O
+ATOM 2626 H1 TIP3W1693 -13.379 16.317 8.764 1.00 0.00 WT1 H
+ATOM 2627 H2 TIP3W1693 -13.012 16.638 10.103 1.00 0.00 WT1 H
+ATOM 2628 OH2 TIP3W1695 2.037 14.389 16.054 1.00 0.00 WT1 O
+ATOM 2629 H1 TIP3W1695 2.263 14.503 15.126 1.00 0.00 WT1 H
+ATOM 2630 H2 TIP3W1695 2.629 14.946 16.466 1.00 0.00 WT1 H
+ATOM 2631 OH2 TIP3W1701 -10.112 18.777 -14.152 1.00 0.00 WT1 O
+ATOM 2632 H1 TIP3W1701 -9.272 19.245 -14.175 1.00 0.00 WT1 H
+ATOM 2633 H2 TIP3W1701 -9.841 17.877 -14.354 1.00 0.00 WT1 H
+ATOM 2634 OH2 TIP3W1702 -15.888 25.156 -14.402 1.00 0.00 WT1 O
+ATOM 2635 H1 TIP3W1702 -15.079 24.884 -14.835 1.00 0.00 WT1 H
+ATOM 2636 H2 TIP3W1702 -15.614 25.554 -13.587 1.00 0.00 WT1 H
+ATOM 2637 OH2 TIP3W1704 -6.578 23.883 -22.048 1.00 0.00 WT1 O
+ATOM 2638 H1 TIP3W1704 -6.501 23.259 -22.853 1.00 0.00 WT1 H
+ATOM 2639 H2 TIP3W1704 -6.824 23.241 -21.339 1.00 0.00 WT1 H
+ATOM 2640 OH2 TIP3W1706 -20.429 19.159 -6.920 1.00 0.00 WT1 O
+ATOM 2641 H1 TIP3W1706 -20.327 18.201 -7.353 1.00 0.00 WT1 H
+ATOM 2642 H2 TIP3W1706 -20.014 19.748 -7.512 1.00 0.00 WT1 H
+ATOM 2643 OH2 TIP3W1707 -10.473 -31.486 -18.252 1.00 0.00 WT1 O
+ATOM 2644 H1 TIP3W1707 -9.767 -31.772 -17.632 1.00 0.00 WT1 H
+ATOM 2645 H2 TIP3W1707 -10.772 -30.511 -17.971 1.00 0.00 WT1 H
+ATOM 2646 OH2 TIP3W1708 11.054 18.650 -10.088 1.00 0.00 WT1 O
+ATOM 2647 H1 TIP3W1708 10.768 18.451 -11.014 1.00 0.00 WT1 H
+ATOM 2648 H2 TIP3W1708 11.854 19.215 -10.166 1.00 0.00 WT1 H
+ATOM 2649 OH2 TIP3W1709 -2.167 29.278 13.871 1.00 0.00 WT1 O
+ATOM 2650 H1 TIP3W1709 -2.670 28.479 14.246 1.00 0.00 WT1 H
+ATOM 2651 H2 TIP3W1709 -1.414 29.435 14.535 1.00 0.00 WT1 H
+ATOM 2652 OH2 TIP3W1711 -15.984 -26.591 20.803 1.00 0.00 WT1 O
+ATOM 2653 H1 TIP3W1711 -15.465 -25.980 21.299 1.00 0.00 WT1 H
+ATOM 2654 H2 TIP3W1711 -15.405 -27.338 20.532 1.00 0.00 WT1 H
+ATOM 2655 OH2 TIP3W1713 -11.440 27.472 14.735 1.00 0.00 WT1 O
+ATOM 2656 H1 TIP3W1713 -11.202 27.550 15.715 1.00 0.00 WT1 H
+ATOM 2657 H2 TIP3W1713 -12.008 26.703 14.601 1.00 0.00 WT1 H
+ATOM 2658 OH2 TIP3W1718 -17.071 -27.878 9.276 1.00 0.00 WT1 O
+ATOM 2659 H1 TIP3W1718 -17.983 -27.543 9.365 1.00 0.00 WT1 H
+ATOM 2660 H2 TIP3W1718 -17.104 -28.152 8.403 1.00 0.00 WT1 H
+ATOM 2661 OH2 TIP3W1719 -8.710 20.033 16.510 1.00 0.00 WT1 O
+ATOM 2662 H1 TIP3W1719 -8.241 19.211 16.274 1.00 0.00 WT1 H
+ATOM 2663 H2 TIP3W1719 -9.415 20.159 15.784 1.00 0.00 WT1 H
+ATOM 2664 OH2 TIP3W1722 -5.781 -23.701 18.507 1.00 0.00 WT1 O
+ATOM 2665 H1 TIP3W1722 -6.190 -22.853 18.490 1.00 0.00 WT1 H
+ATOM 2666 H2 TIP3W1722 -5.614 -23.917 17.558 1.00 0.00 WT1 H
+ATOM 2667 OH2 TIP3W1723 -13.389 -28.032 -7.230 1.00 0.00 WT1 O
+ATOM 2668 H1 TIP3W1723 -13.423 -28.817 -7.807 1.00 0.00 WT1 H
+ATOM 2669 H2 TIP3W1723 -14.070 -28.240 -6.590 1.00 0.00 WT1 H
+ATOM 2670 OH2 TIP3W1725 -20.165 -28.632 -18.136 1.00 0.00 WT1 O
+ATOM 2671 H1 TIP3W1725 -19.902 -29.473 -18.542 1.00 0.00 WT1 H
+ATOM 2672 H2 TIP3W1725 -19.367 -28.067 -18.146 1.00 0.00 WT1 H
+ATOM 2673 OH2 TIP3W1727 -4.212 -25.836 1.110 1.00 0.00 WT1 O
+ATOM 2674 H1 TIP3W1727 -4.956 -25.582 0.516 1.00 0.00 WT1 H
+ATOM 2675 H2 TIP3W1727 -4.613 -26.576 1.666 1.00 0.00 WT1 H
+ATOM 2676 OH2 TIP3W1728 -17.650 28.165 -11.104 1.00 0.00 WT1 O
+ATOM 2677 H1 TIP3W1728 -17.622 29.122 -10.983 1.00 0.00 WT1 H
+ATOM 2678 H2 TIP3W1728 -16.724 28.057 -11.503 1.00 0.00 WT1 H
+ATOM 2679 OH2 TIP3W1729 -15.792 -25.532 -0.197 1.00 0.00 WT1 O
+ATOM 2680 H1 TIP3W1729 -15.420 -24.592 -0.101 1.00 0.00 WT1 H
+ATOM 2681 H2 TIP3W1729 -16.752 -25.378 -0.158 1.00 0.00 WT1 H
+ATOM 2682 OH2 TIP3W1730 -11.068 -30.266 -8.359 1.00 0.00 WT1 O
+ATOM 2683 H1 TIP3W1730 -11.230 -29.638 -9.093 1.00 0.00 WT1 H
+ATOM 2684 H2 TIP3W1730 -10.241 -30.680 -8.611 1.00 0.00 WT1 H
+ATOM 2685 OH2 TIP3W1731 -4.885 28.869 -3.339 1.00 0.00 WT1 O
+ATOM 2686 H1 TIP3W1731 -5.537 28.285 -2.983 1.00 0.00 WT1 H
+ATOM 2687 H2 TIP3W1731 -4.917 28.603 -4.289 1.00 0.00 WT1 H
+ATOM 2688 OH2 TIP3W1732 -15.707 26.983 18.366 1.00 0.00 WT1 O
+ATOM 2689 H1 TIP3W1732 -16.467 26.921 17.655 1.00 0.00 WT1 H
+ATOM 2690 H2 TIP3W1732 -16.044 26.320 19.018 1.00 0.00 WT1 H
+ATOM 2691 OH2 TIP3W1733 -19.412 -30.823 -6.218 1.00 0.00 WT1 O
+ATOM 2692 H1 TIP3W1733 -20.216 -30.330 -6.384 1.00 0.00 WT1 H
+ATOM 2693 H2 TIP3W1733 -19.316 -31.446 -6.942 1.00 0.00 WT1 H
+ATOM 2694 OH2 TIP3W1734 0.488 26.001 2.270 1.00 0.00 WT1 O
+ATOM 2695 H1 TIP3W1734 0.688 25.257 1.657 1.00 0.00 WT1 H
+ATOM 2696 H2 TIP3W1734 -0.450 26.033 2.379 1.00 0.00 WT1 H
+ATOM 2697 OH2 TIP3W1735 0.997 -22.731 13.373 1.00 0.00 WT1 O
+ATOM 2698 H1 TIP3W1735 0.537 -22.209 12.731 1.00 0.00 WT1 H
+ATOM 2699 H2 TIP3W1735 1.440 -23.358 12.846 1.00 0.00 WT1 H
+ATOM 2700 OH2 TIP3W1737 -19.949 17.432 14.415 1.00 0.00 WT1 O
+ATOM 2701 H1 TIP3W1737 -19.262 17.120 15.004 1.00 0.00 WT1 H
+ATOM 2702 H2 TIP3W1737 -20.219 18.305 14.818 1.00 0.00 WT1 H
+ATOM 2703 OH2 TIP3W1738 -7.941 29.402 -4.956 1.00 0.00 WT1 O
+ATOM 2704 H1 TIP3W1738 -8.331 30.065 -5.508 1.00 0.00 WT1 H
+ATOM 2705 H2 TIP3W1738 -8.388 29.558 -4.104 1.00 0.00 WT1 H
+ATOM 2706 OH2 TIP3W1744 -2.767 -31.222 -16.773 1.00 0.00 WT1 O
+ATOM 2707 H1 TIP3W1744 -2.232 -30.764 -17.442 1.00 0.00 WT1 H
+ATOM 2708 H2 TIP3W1744 -2.819 -32.175 -17.095 1.00 0.00 WT1 H
+ATOM 2709 OH2 TIP3W1746 -11.738 -22.336 -4.563 1.00 0.00 WT1 O
+ATOM 2710 H1 TIP3W1746 -12.241 -21.930 -5.287 1.00 0.00 WT1 H
+ATOM 2711 H2 TIP3W1746 -10.923 -21.856 -4.556 1.00 0.00 WT1 H
+ATOM 2712 OH2 TIP3W1749 -4.716 23.546 -3.682 1.00 0.00 WT1 O
+ATOM 2713 H1 TIP3W1749 -4.426 22.647 -3.973 1.00 0.00 WT1 H
+ATOM 2714 H2 TIP3W1749 -5.659 23.454 -3.896 1.00 0.00 WT1 H
+ATOM 2715 OH2 TIP3W1750 -15.525 -7.435 -20.651 1.00 0.00 WT1 O
+ATOM 2716 H1 TIP3W1750 -14.601 -7.147 -20.757 1.00 0.00 WT1 H
+ATOM 2717 H2 TIP3W1750 -15.435 -8.404 -20.749 1.00 0.00 WT1 H
+ATOM 2718 OH2 TIP3W1751 -18.485 18.384 -22.194 1.00 0.00 WT1 O
+ATOM 2719 H1 TIP3W1751 -18.276 18.005 -21.352 1.00 0.00 WT1 H
+ATOM 2720 H2 TIP3W1751 -18.641 17.625 -22.798 1.00 0.00 WT1 H
+ATOM 2721 OH2 TIP3W1752 -10.517 -23.641 -0.112 1.00 0.00 WT1 O
+ATOM 2722 H1 TIP3W1752 -10.563 -23.117 0.694 1.00 0.00 WT1 H
+ATOM 2723 H2 TIP3W1752 -10.996 -24.451 0.206 1.00 0.00 WT1 H
+ATOM 2724 OH2 TIP3W1755 -1.502 -29.139 11.161 1.00 0.00 WT1 O
+ATOM 2725 H1 TIP3W1755 -2.154 -29.641 10.650 1.00 0.00 WT1 H
+ATOM 2726 H2 TIP3W1755 -1.721 -29.316 12.031 1.00 0.00 WT1 H
+ATOM 2727 OH2 TIP3W1757 -13.872 -21.553 3.146 1.00 0.00 WT1 O
+ATOM 2728 H1 TIP3W1757 -12.895 -21.847 3.170 1.00 0.00 WT1 H
+ATOM 2729 H2 TIP3W1757 -14.187 -21.596 4.093 1.00 0.00 WT1 H
+ATOM 2730 OH2 TIP3W1764 -17.445 -30.796 -22.695 1.00 0.00 WT1 O
+ATOM 2731 H1 TIP3W1764 -17.889 -31.297 -21.960 1.00 0.00 WT1 H
+ATOM 2732 H2 TIP3W1764 -16.555 -31.105 -22.608 1.00 0.00 WT1 H
+ATOM 2733 OH2 TIP3W1766 -4.655 -18.035 -11.600 1.00 0.00 WT1 O
+ATOM 2734 H1 TIP3W1766 -5.576 -17.983 -11.907 1.00 0.00 WT1 H
+ATOM 2735 H2 TIP3W1766 -4.660 -17.451 -10.795 1.00 0.00 WT1 H
+ATOM 2736 OH2 TIP3W1767 -0.161 26.638 -17.722 1.00 0.00 WT1 O
+ATOM 2737 H1 TIP3W1767 -1.093 26.686 -17.805 1.00 0.00 WT1 H
+ATOM 2738 H2 TIP3W1767 0.126 27.399 -18.175 1.00 0.00 WT1 H
+ATOM 2739 OH2 TIP3W1769 -22.018 30.996 -8.775 1.00 0.00 WT1 O
+ATOM 2740 H1 TIP3W1769 -22.365 30.283 -9.333 1.00 0.00 WT1 H
+ATOM 2741 H2 TIP3W1769 -21.481 30.534 -8.102 1.00 0.00 WT1 H
+ATOM 2742 OH2 TIP3W1770 -5.918 31.394 -2.707 1.00 0.00 WT1 O
+ATOM 2743 H1 TIP3W1770 -5.599 30.465 -2.827 1.00 0.00 WT1 H
+ATOM 2744 H2 TIP3W1770 -5.939 31.530 -1.780 1.00 0.00 WT1 H
+ATOM 2745 OH2 TIP3W1771 -20.077 -28.902 -10.284 1.00 0.00 WT1 O
+ATOM 2746 H1 TIP3W1771 -20.472 -28.269 -10.879 1.00 0.00 WT1 H
+ATOM 2747 H2 TIP3W1771 -19.871 -29.695 -10.811 1.00 0.00 WT1 H
+ATOM 2748 OH2 TIP3W1772 -8.686 -31.141 8.431 1.00 0.00 WT1 O
+ATOM 2749 H1 TIP3W1772 -7.954 -31.738 8.648 1.00 0.00 WT1 H
+ATOM 2750 H2 TIP3W1772 -8.319 -30.665 7.637 1.00 0.00 WT1 H
+ATOM 2751 OH2 TIP3W1773 -8.232 -31.055 -9.190 1.00 0.00 WT1 O
+ATOM 2752 H1 TIP3W1773 -7.892 -31.784 -8.629 1.00 0.00 WT1 H
+ATOM 2753 H2 TIP3W1773 -8.013 -30.212 -8.768 1.00 0.00 WT1 H
+ATOM 2754 OH2 TIP3W1774 -4.057 29.097 4.640 1.00 0.00 WT1 O
+ATOM 2755 H1 TIP3W1774 -3.272 28.615 4.358 1.00 0.00 WT1 H
+ATOM 2756 H2 TIP3W1774 -3.745 30.052 4.612 1.00 0.00 WT1 H
+ATOM 2757 OH2 TIP3W1775 -20.673 -31.001 4.474 1.00 0.00 WT1 O
+ATOM 2758 H1 TIP3W1775 -20.865 -30.980 5.443 1.00 0.00 WT1 H
+ATOM 2759 H2 TIP3W1775 -20.247 -30.108 4.380 1.00 0.00 WT1 H
+ATOM 2760 OH2 TIP3W1776 -15.578 -27.883 13.567 1.00 0.00 WT1 O
+ATOM 2761 H1 TIP3W1776 -16.316 -27.347 13.894 1.00 0.00 WT1 H
+ATOM 2762 H2 TIP3W1776 -14.841 -27.396 13.941 1.00 0.00 WT1 H
+ATOM 2763 OH2 TIP3W1777 -20.239 31.227 5.958 1.00 0.00 WT1 O
+ATOM 2764 H1 TIP3W1777 -19.751 31.594 6.692 1.00 0.00 WT1 H
+ATOM 2765 H2 TIP3W1777 -20.882 30.665 6.382 1.00 0.00 WT1 H
+ATOM 2766 OH2 TIP3W1778 -20.148 -26.403 12.906 1.00 0.00 WT1 O
+ATOM 2767 H1 TIP3W1778 -20.617 -26.882 13.559 1.00 0.00 WT1 H
+ATOM 2768 H2 TIP3W1778 -20.854 -26.389 12.197 1.00 0.00 WT1 H
+ATOM 2769 OH2 TIP3W1780 -3.803 30.158 17.116 1.00 0.00 WT1 O
+ATOM 2770 H1 TIP3W1780 -3.664 30.257 18.093 1.00 0.00 WT1 H
+ATOM 2771 H2 TIP3W1780 -3.013 30.624 16.769 1.00 0.00 WT1 H
+ATOM 2772 OH2 TIP3W1784 -9.282 24.571 -21.600 1.00 0.00 WT1 O
+ATOM 2773 H1 TIP3W1784 -8.563 24.528 -22.276 1.00 0.00 WT1 H
+ATOM 2774 H2 TIP3W1784 -9.313 25.471 -21.328 1.00 0.00 WT1 H
+ATOM 2775 OH2 TIP3W1785 -16.815 22.218 -7.723 1.00 0.00 WT1 O
+ATOM 2776 H1 TIP3W1785 -17.288 22.018 -8.488 1.00 0.00 WT1 H
+ATOM 2777 H2 TIP3W1785 -17.508 22.425 -7.115 1.00 0.00 WT1 H
+ATOM 2778 OH2 TIP3W1788 -8.008 -8.918 -5.344 1.00 0.00 WT1 O
+ATOM 2779 H1 TIP3W1788 -7.110 -9.140 -5.333 1.00 0.00 WT1 H
+ATOM 2780 H2 TIP3W1788 -8.227 -8.923 -4.423 1.00 0.00 WT1 H
+ATOM 2781 OH2 TIP3W1789 -17.125 -25.653 -21.251 1.00 0.00 WT1 O
+ATOM 2782 H1 TIP3W1789 -16.174 -25.780 -21.176 1.00 0.00 WT1 H
+ATOM 2783 H2 TIP3W1789 -17.377 -26.451 -21.760 1.00 0.00 WT1 H
+ATOM 2784 OH2 TIP3W1790 -4.523 -17.970 -6.282 1.00 0.00 WT1 O
+ATOM 2785 H1 TIP3W1790 -3.847 -18.519 -5.821 1.00 0.00 WT1 H
+ATOM 2786 H2 TIP3W1790 -5.402 -18.430 -6.236 1.00 0.00 WT1 H
+ATOM 2787 OH2 TIP3W1791 -12.859 31.558 -15.489 1.00 0.00 WT1 O
+ATOM 2788 H1 TIP3W1791 -13.630 30.980 -15.426 1.00 0.00 WT1 H
+ATOM 2789 H2 TIP3W1791 -13.081 32.066 -16.235 1.00 0.00 WT1 H
+ATOM 2790 OH2 TIP3W1793 -5.759 27.613 -5.740 1.00 0.00 WT1 O
+ATOM 2791 H1 TIP3W1793 -6.392 27.005 -5.283 1.00 0.00 WT1 H
+ATOM 2792 H2 TIP3W1793 -6.230 28.461 -5.870 1.00 0.00 WT1 H
+ATOM 2793 OH2 TIP3W1794 -7.287 -31.036 1.537 1.00 0.00 WT1 O
+ATOM 2794 H1 TIP3W1794 -7.730 -30.692 0.755 1.00 0.00 WT1 H
+ATOM 2795 H2 TIP3W1794 -6.358 -30.880 1.333 1.00 0.00 WT1 H
+ATOM 2796 OH2 TIP3W1795 -8.485 -30.505 -0.878 1.00 0.00 WT1 O
+ATOM 2797 H1 TIP3W1795 -7.700 -30.009 -1.192 1.00 0.00 WT1 H
+ATOM 2798 H2 TIP3W1795 -8.478 -31.366 -1.381 1.00 0.00 WT1 H
+ATOM 2799 OH2 TIP3W1796 -1.578 -27.346 -4.737 1.00 0.00 WT1 O
+ATOM 2800 H1 TIP3W1796 -2.202 -27.386 -3.987 1.00 0.00 WT1 H
+ATOM 2801 H2 TIP3W1796 -1.078 -28.197 -4.567 1.00 0.00 WT1 H
+ATOM 2802 OH2 TIP3W1797 -11.926 28.904 9.033 1.00 0.00 WT1 O
+ATOM 2803 H1 TIP3W1797 -11.133 28.513 8.631 1.00 0.00 WT1 H
+ATOM 2804 H2 TIP3W1797 -11.741 28.811 9.972 1.00 0.00 WT1 H
+ATOM 2805 OH2 TIP3W1798 -8.466 -13.410 10.707 1.00 0.00 WT1 O
+ATOM 2806 H1 TIP3W1798 -9.311 -13.219 11.133 1.00 0.00 WT1 H
+ATOM 2807 H2 TIP3W1798 -7.898 -12.610 10.964 1.00 0.00 WT1 H
+ATOM 2808 OH2 TIP3W1799 -6.221 26.571 4.147 1.00 0.00 WT1 O
+ATOM 2809 H1 TIP3W1799 -6.875 25.867 4.289 1.00 0.00 WT1 H
+ATOM 2810 H2 TIP3W1799 -5.583 26.391 4.845 1.00 0.00 WT1 H
+ATOM 2811 OH2 TIP3W1808 2.348 -22.288 0.394 1.00 0.00 WT1 O
+ATOM 2812 H1 TIP3W1808 2.538 -23.028 0.931 1.00 0.00 WT1 H
+ATOM 2813 H2 TIP3W1808 1.671 -21.868 0.875 1.00 0.00 WT1 H
+ATOM 2814 OH2 TIP3W1810 8.081 -10.930 -21.762 1.00 0.00 WT1 O
+ATOM 2815 H1 TIP3W1810 8.014 -10.324 -20.975 1.00 0.00 WT1 H
+ATOM 2816 H2 TIP3W1810 7.142 -11.164 -21.920 1.00 0.00 WT1 H
+ATOM 2817 OH2 TIP3W1811 8.081 -27.405 -15.305 1.00 0.00 WT1 O
+ATOM 2818 H1 TIP3W1811 7.421 -26.755 -15.636 1.00 0.00 WT1 H
+ATOM 2819 H2 TIP3W1811 8.818 -27.277 -15.948 1.00 0.00 WT1 H
+ATOM 2820 OH2 TIP3W1812 -17.143 -22.951 5.607 1.00 0.00 WT1 O
+ATOM 2821 H1 TIP3W1812 -17.957 -22.464 5.447 1.00 0.00 WT1 H
+ATOM 2822 H2 TIP3W1812 -17.459 -23.694 6.102 1.00 0.00 WT1 H
+ATOM 2823 OH2 TIP3W1813 -16.444 -20.549 -7.142 1.00 0.00 WT1 O
+ATOM 2824 H1 TIP3W1813 -16.824 -19.765 -7.519 1.00 0.00 WT1 H
+ATOM 2825 H2 TIP3W1813 -17.020 -21.261 -7.533 1.00 0.00 WT1 H
+ATOM 2826 OH2 TIP3W1814 -11.399 -13.303 -4.513 1.00 0.00 WT1 O
+ATOM 2827 H1 TIP3W1814 -10.557 -13.841 -4.331 1.00 0.00 WT1 H
+ATOM 2828 H2 TIP3W1814 -12.012 -13.634 -3.830 1.00 0.00 WT1 H
+ATOM 2829 OH2 TIP3W1815 -14.655 -12.672 4.811 1.00 0.00 WT1 O
+ATOM 2830 H1 TIP3W1815 -15.356 -12.450 4.197 1.00 0.00 WT1 H
+ATOM 2831 H2 TIP3W1815 -14.743 -12.011 5.559 1.00 0.00 WT1 H
+ATOM 2832 OH2 TIP3W1816 -12.681 -7.959 -2.010 1.00 0.00 WT1 O
+ATOM 2833 H1 TIP3W1816 -12.132 -8.038 -1.180 1.00 0.00 WT1 H
+ATOM 2834 H2 TIP3W1816 -13.490 -8.420 -1.826 1.00 0.00 WT1 H
+ATOM 2835 OH2 TIP3W1817 -3.435 -20.640 13.417 1.00 0.00 WT1 O
+ATOM 2836 H1 TIP3W1817 -4.217 -20.820 14.005 1.00 0.00 WT1 H
+ATOM 2837 H2 TIP3W1817 -3.870 -20.633 12.537 1.00 0.00 WT1 H
+ATOM 2838 OH2 TIP3W1818 -15.326 -27.799 17.810 1.00 0.00 WT1 O
+ATOM 2839 H1 TIP3W1818 -15.120 -27.338 16.987 1.00 0.00 WT1 H
+ATOM 2840 H2 TIP3W1818 -14.577 -27.486 18.344 1.00 0.00 WT1 H
+ATOM 2841 OH2 TIP3W1819 -16.095 -22.785 22.160 1.00 0.00 WT1 O
+ATOM 2842 H1 TIP3W1819 -16.715 -22.609 22.922 1.00 0.00 WT1 H
+ATOM 2843 H2 TIP3W1819 -16.717 -23.272 21.520 1.00 0.00 WT1 H
+ATOM 2844 OH2 TIP3W1820 -13.785 -29.073 6.415 1.00 0.00 WT1 O
+ATOM 2845 H1 TIP3W1820 -13.804 -30.022 6.594 1.00 0.00 WT1 H
+ATOM 2846 H2 TIP3W1820 -13.073 -28.990 5.799 1.00 0.00 WT1 H
+ATOM 2847 OH2 TIP3W1821 -6.646 -21.371 12.830 1.00 0.00 WT1 O
+ATOM 2848 H1 TIP3W1821 -6.173 -21.744 12.053 1.00 0.00 WT1 H
+ATOM 2849 H2 TIP3W1821 -6.237 -21.904 13.478 1.00 0.00 WT1 H
+ATOM 2850 OH2 TIP3W1824 -0.063 -30.249 -21.696 1.00 0.00 WT1 O
+ATOM 2851 H1 TIP3W1824 -0.154 -30.335 -22.648 1.00 0.00 WT1 H
+ATOM 2852 H2 TIP3W1824 -0.468 -31.086 -21.333 1.00 0.00 WT1 H
+ATOM 2853 OH2 TIP3W1829 -10.806 -18.898 -22.211 1.00 0.00 WT1 O
+ATOM 2854 H1 TIP3W1829 -10.275 -18.985 -21.400 1.00 0.00 WT1 H
+ATOM 2855 H2 TIP3W1829 -10.207 -18.591 -22.894 1.00 0.00 WT1 H
+ATOM 2856 OH2 TIP3W1830 -9.176 -18.611 -19.988 1.00 0.00 WT1 O
+ATOM 2857 H1 TIP3W1830 -9.726 -19.065 -19.242 1.00 0.00 WT1 H
+ATOM 2858 H2 TIP3W1830 -8.208 -18.783 -19.708 1.00 0.00 WT1 H
+ATOM 2859 OH2 TIP3W1831 -15.272 -32.179 -14.042 1.00 0.00 WT1 O
+ATOM 2860 H1 TIP3W1831 -15.139 -32.211 -15.037 1.00 0.00 WT1 H
+ATOM 2861 H2 TIP3W1831 -14.367 -32.071 -13.768 1.00 0.00 WT1 H
+ATOM 2862 OH2 TIP3W1832 -4.155 -22.549 -2.054 1.00 0.00 WT1 O
+ATOM 2863 H1 TIP3W1832 -4.366 -22.487 -3.034 1.00 0.00 WT1 H
+ATOM 2864 H2 TIP3W1832 -3.583 -23.369 -2.008 1.00 0.00 WT1 H
+ATOM 2865 OH2 TIP3W1833 -12.647 -22.214 13.856 1.00 0.00 WT1 O
+ATOM 2866 H1 TIP3W1833 -12.481 -21.653 14.686 1.00 0.00 WT1 H
+ATOM 2867 H2 TIP3W1833 -12.418 -21.573 13.170 1.00 0.00 WT1 H
+ATOM 2868 OH2 TIP3W1835 -10.980 -4.698 -5.587 1.00 0.00 WT1 O
+ATOM 2869 H1 TIP3W1835 -10.890 -5.623 -5.639 1.00 0.00 WT1 H
+ATOM 2870 H2 TIP3W1835 -10.740 -4.557 -4.676 1.00 0.00 WT1 H
+ATOM 2871 OH2 TIP3W1836 -6.655 -22.267 -0.715 1.00 0.00 WT1 O
+ATOM 2872 H1 TIP3W1836 -5.782 -22.456 -1.007 1.00 0.00 WT1 H
+ATOM 2873 H2 TIP3W1836 -7.133 -21.980 -1.549 1.00 0.00 WT1 H
+ATOM 2874 OH2 TIP3W1837 -13.323 -4.133 -10.771 1.00 0.00 WT1 O
+ATOM 2875 H1 TIP3W1837 -13.640 -3.521 -10.146 1.00 0.00 WT1 H
+ATOM 2876 H2 TIP3W1837 -13.789 -3.875 -11.609 1.00 0.00 WT1 H
+ATOM 2877 OH2 TIP3W1838 -1.388 -21.055 -1.032 1.00 0.00 WT1 O
+ATOM 2878 H1 TIP3W1838 -1.153 -21.757 -0.440 1.00 0.00 WT1 H
+ATOM 2879 H2 TIP3W1838 -2.105 -21.348 -1.604 1.00 0.00 WT1 H
+ATOM 2880 OH2 TIP3W1839 -8.183 -25.569 10.434 1.00 0.00 WT1 O
+ATOM 2881 H1 TIP3W1839 -8.972 -25.889 10.079 1.00 0.00 WT1 H
+ATOM 2882 H2 TIP3W1839 -7.699 -26.401 10.584 1.00 0.00 WT1 H
+ATOM 2883 OH2 TIP3W1840 3.131 -15.360 8.390 1.00 0.00 WT1 O
+ATOM 2884 H1 TIP3W1840 3.278 -14.472 8.189 1.00 0.00 WT1 H
+ATOM 2885 H2 TIP3W1840 3.981 -15.818 8.413 1.00 0.00 WT1 H
+ATOM 2886 OH2 TIP3W1841 -9.112 -18.221 15.587 1.00 0.00 WT1 O
+ATOM 2887 H1 TIP3W1841 -9.820 -17.614 15.937 1.00 0.00 WT1 H
+ATOM 2888 H2 TIP3W1841 -8.598 -17.556 15.145 1.00 0.00 WT1 H
+ATOM 2889 OH2 TIP3W1842 -10.760 -23.134 23.059 1.00 0.00 WT1 O
+ATOM 2890 H1 TIP3W1842 -10.079 -23.711 22.888 1.00 0.00 WT1 H
+ATOM 2891 H2 TIP3W1842 -11.226 -23.066 22.193 1.00 0.00 WT1 H
+ATOM 2892 OH2 TIP3W1844 -7.142 -21.733 17.191 1.00 0.00 WT1 O
+ATOM 2893 H1 TIP3W1844 -7.623 -20.940 17.390 1.00 0.00 WT1 H
+ATOM 2894 H2 TIP3W1844 -7.749 -22.243 16.707 1.00 0.00 WT1 H
+ATOM 2895 OH2 TIP3W1847 -9.206 -3.377 -20.384 1.00 0.00 WT1 O
+ATOM 2896 H1 TIP3W1847 -9.916 -3.274 -19.708 1.00 0.00 WT1 H
+ATOM 2897 H2 TIP3W1847 -9.392 -2.612 -21.011 1.00 0.00 WT1 H
+ATOM 2898 OH2 TIP3W1850 -11.885 -7.585 -15.655 1.00 0.00 WT1 O
+ATOM 2899 H1 TIP3W1850 -10.961 -7.899 -15.578 1.00 0.00 WT1 H
+ATOM 2900 H2 TIP3W1850 -12.209 -7.689 -14.718 1.00 0.00 WT1 H
+ATOM 2901 OH2 TIP3W1851 -1.740 -12.045 -18.453 1.00 0.00 WT1 O
+ATOM 2902 H1 TIP3W1851 -1.776 -11.561 -17.550 1.00 0.00 WT1 H
+ATOM 2903 H2 TIP3W1851 -1.746 -13.018 -18.259 1.00 0.00 WT1 H
+ATOM 2904 OH2 TIP3W1852 -12.558 -8.379 -13.187 1.00 0.00 WT1 O
+ATOM 2905 H1 TIP3W1852 -12.511 -9.275 -12.770 1.00 0.00 WT1 H
+ATOM 2906 H2 TIP3W1852 -12.546 -7.780 -12.409 1.00 0.00 WT1 H
+ATOM 2907 OH2 TIP3W1853 -22.297 -21.869 -9.726 1.00 0.00 WT1 O
+ATOM 2908 H1 TIP3W1853 -22.300 -21.470 -10.592 1.00 0.00 WT1 H
+ATOM 2909 H2 TIP3W1853 -21.324 -22.050 -9.525 1.00 0.00 WT1 H
+ATOM 2910 OH2 TIP3W1854 -6.372 -24.560 -18.428 1.00 0.00 WT1 O
+ATOM 2911 H1 TIP3W1854 -7.332 -24.415 -18.033 1.00 0.00 WT1 H
+ATOM 2912 H2 TIP3W1854 -6.681 -25.015 -19.198 1.00 0.00 WT1 H
+ATOM 2913 OH2 TIP3W1856 -10.146 -20.000 -17.824 1.00 0.00 WT1 O
+ATOM 2914 H1 TIP3W1856 -10.934 -20.520 -18.089 1.00 0.00 WT1 H
+ATOM 2915 H2 TIP3W1856 -9.693 -20.540 -17.217 1.00 0.00 WT1 H
+ATOM 2916 OH2 TIP3W1857 0.854 -14.031 19.843 1.00 0.00 WT1 O
+ATOM 2917 H1 TIP3W1857 0.175 -14.451 19.234 1.00 0.00 WT1 H
+ATOM 2918 H2 TIP3W1857 0.765 -14.451 20.710 1.00 0.00 WT1 H
+ATOM 2919 OH2 TIP3W1858 -19.250 -24.645 10.950 1.00 0.00 WT1 O
+ATOM 2920 H1 TIP3W1858 -20.030 -24.771 10.392 1.00 0.00 WT1 H
+ATOM 2921 H2 TIP3W1858 -19.381 -25.289 11.639 1.00 0.00 WT1 H
+ATOM 2922 OH2 TIP3W1859 -18.235 -24.627 7.543 1.00 0.00 WT1 O
+ATOM 2923 H1 TIP3W1859 -19.167 -24.676 7.847 1.00 0.00 WT1 H
+ATOM 2924 H2 TIP3W1859 -17.836 -25.313 8.077 1.00 0.00 WT1 H
+ATOM 2925 OH2 TIP3W1860 -11.250 -14.980 2.275 1.00 0.00 WT1 O
+ATOM 2926 H1 TIP3W1860 -10.467 -15.359 2.656 1.00 0.00 WT1 H
+ATOM 2927 H2 TIP3W1860 -11.343 -15.521 1.421 1.00 0.00 WT1 H
+ATOM 2928 OH2 TIP3W1862 12.531 -28.025 10.498 1.00 0.00 WT1 O
+ATOM 2929 H1 TIP3W1862 12.345 -28.916 10.288 1.00 0.00 WT1 H
+ATOM 2930 H2 TIP3W1862 13.297 -28.108 11.060 1.00 0.00 WT1 H
+ATOM 2931 OH2 TIP3W1864 -18.105 -15.982 19.405 1.00 0.00 WT1 O
+ATOM 2932 H1 TIP3W1864 -18.126 -16.884 19.894 1.00 0.00 WT1 H
+ATOM 2933 H2 TIP3W1864 -17.268 -15.576 19.704 1.00 0.00 WT1 H
+ATOM 2934 OH2 TIP3W1866 -9.749 -16.973 6.562 1.00 0.00 WT1 O
+ATOM 2935 H1 TIP3W1866 -9.922 -15.983 6.633 1.00 0.00 WT1 H
+ATOM 2936 H2 TIP3W1866 -10.644 -17.346 6.757 1.00 0.00 WT1 H
+ATOM 2937 OH2 TIP3W1870 -3.774 -3.067 -20.445 1.00 0.00 WT1 O
+ATOM 2938 H1 TIP3W1870 -3.703 -3.013 -19.517 1.00 0.00 WT1 H
+ATOM 2939 H2 TIP3W1870 -4.655 -3.548 -20.647 1.00 0.00 WT1 H
+ATOM 2940 OH2 TIP3W1871 -15.618 -20.778 -20.841 1.00 0.00 WT1 O
+ATOM 2941 H1 TIP3W1871 -16.011 -21.511 -21.387 1.00 0.00 WT1 H
+ATOM 2942 H2 TIP3W1871 -15.503 -20.117 -21.604 1.00 0.00 WT1 H
+ATOM 2943 OH2 TIP3W1872 8.211 -17.089 -16.411 1.00 0.00 WT1 O
+ATOM 2944 H1 TIP3W1872 8.570 -16.359 -15.955 1.00 0.00 WT1 H
+ATOM 2945 H2 TIP3W1872 7.548 -16.760 -16.984 1.00 0.00 WT1 H
+ATOM 2946 OH2 TIP3W1873 -9.053 -21.857 -16.034 1.00 0.00 WT1 O
+ATOM 2947 H1 TIP3W1873 -9.978 -22.098 -15.704 1.00 0.00 WT1 H
+ATOM 2948 H2 TIP3W1873 -8.578 -21.467 -15.269 1.00 0.00 WT1 H
+ATOM 2949 OH2 TIP3W1874 -9.543 -13.576 -0.261 1.00 0.00 WT1 O
+ATOM 2950 H1 TIP3W1874 -9.147 -14.471 -0.208 1.00 0.00 WT1 H
+ATOM 2951 H2 TIP3W1874 -10.447 -13.643 -0.049 1.00 0.00 WT1 H
+ATOM 2952 OH2 TIP3W1875 -9.718 -7.528 -18.868 1.00 0.00 WT1 O
+ATOM 2953 H1 TIP3W1875 -9.408 -7.017 -18.077 1.00 0.00 WT1 H
+ATOM 2954 H2 TIP3W1875 -9.397 -8.398 -18.691 1.00 0.00 WT1 H
+ATOM 2955 OH2 TIP3W1876 -12.455 -3.554 -1.250 1.00 0.00 WT1 O
+ATOM 2956 H1 TIP3W1876 -13.153 -2.871 -1.043 1.00 0.00 WT1 H
+ATOM 2957 H2 TIP3W1876 -12.236 -3.925 -0.393 1.00 0.00 WT1 H
+ATOM 2958 OH2 TIP3W1878 0.720 -24.596 -1.118 1.00 0.00 WT1 O
+ATOM 2959 H1 TIP3W1878 0.049 -24.521 -0.405 1.00 0.00 WT1 H
+ATOM 2960 H2 TIP3W1878 1.374 -25.241 -0.784 1.00 0.00 WT1 H
+ATOM 2961 OH2 TIP3W1879 -18.574 -12.485 17.358 1.00 0.00 WT1 O
+ATOM 2962 H1 TIP3W1879 -18.358 -13.411 17.039 1.00 0.00 WT1 H
+ATOM 2963 H2 TIP3W1879 -17.771 -12.240 17.810 1.00 0.00 WT1 H
+ATOM 2964 OH2 TIP3W1880 -22.250 -18.928 10.110 1.00 0.00 WT1 O
+ATOM 2965 H1 TIP3W1880 -22.522 -18.684 9.212 1.00 0.00 WT1 H
+ATOM 2966 H2 TIP3W1880 -21.274 -18.890 10.090 1.00 0.00 WT1 H
+ATOM 2967 OH2 TIP3W1881 -4.878 -11.637 -10.325 1.00 0.00 WT1 O
+ATOM 2968 H1 TIP3W1881 -5.882 -11.626 -10.414 1.00 0.00 WT1 H
+ATOM 2969 H2 TIP3W1881 -4.692 -12.459 -9.871 1.00 0.00 WT1 H
+ATOM 2970 OH2 TIP3W1882 -17.472 -11.974 21.777 1.00 0.00 WT1 O
+ATOM 2971 H1 TIP3W1882 -17.853 -12.327 22.587 1.00 0.00 WT1 H
+ATOM 2972 H2 TIP3W1882 -18.226 -11.686 21.201 1.00 0.00 WT1 H
+ATOM 2973 OH2 TIP3W1883 -14.723 -8.793 11.978 1.00 0.00 WT1 O
+ATOM 2974 H1 TIP3W1883 -15.250 -9.196 12.698 1.00 0.00 WT1 H
+ATOM 2975 H2 TIP3W1883 -14.206 -8.037 12.382 1.00 0.00 WT1 H
+ATOM 2976 OH2 TIP3W1885 2.378 -18.531 -20.325 1.00 0.00 WT1 O
+ATOM 2977 H1 TIP3W1885 1.625 -19.208 -20.321 1.00 0.00 WT1 H
+ATOM 2978 H2 TIP3W1885 2.571 -18.351 -21.284 1.00 0.00 WT1 H
+ATOM 2979 OH2 TIP3W1891 -11.524 -3.133 -19.008 1.00 0.00 WT1 O
+ATOM 2980 H1 TIP3W1891 -12.353 -3.303 -18.522 1.00 0.00 WT1 H
+ATOM 2981 H2 TIP3W1891 -10.850 -3.396 -18.355 1.00 0.00 WT1 H
+ATOM 2982 OH2 TIP3W1892 -17.707 1.638 -13.197 1.00 0.00 WT1 O
+ATOM 2983 H1 TIP3W1892 -17.403 2.003 -14.057 1.00 0.00 WT1 H
+ATOM 2984 H2 TIP3W1892 -17.231 2.289 -12.560 1.00 0.00 WT1 H
+ATOM 2985 OH2 TIP3W1894 -10.880 -16.596 -6.365 1.00 0.00 WT1 O
+ATOM 2986 H1 TIP3W1894 -11.694 -16.060 -6.604 1.00 0.00 WT1 H
+ATOM 2987 H2 TIP3W1894 -10.242 -15.941 -6.032 1.00 0.00 WT1 H
+ATOM 2988 OH2 TIP3W1895 3.951 -18.503 -7.702 1.00 0.00 WT1 O
+ATOM 2989 H1 TIP3W1895 3.779 -17.905 -7.017 1.00 0.00 WT1 H
+ATOM 2990 H2 TIP3W1895 4.823 -18.925 -7.501 1.00 0.00 WT1 H
+ATOM 2991 OH2 TIP3W1896 0.608 -12.196 -12.781 1.00 0.00 WT1 O
+ATOM 2992 H1 TIP3W1896 0.701 -12.545 -11.854 1.00 0.00 WT1 H
+ATOM 2993 H2 TIP3W1896 1.317 -11.538 -12.921 1.00 0.00 WT1 H
+ATOM 2994 OH2 TIP3W1897 -19.587 -8.570 -3.147 1.00 0.00 WT1 O
+ATOM 2995 H1 TIP3W1897 -20.001 -7.840 -3.575 1.00 0.00 WT1 H
+ATOM 2996 H2 TIP3W1897 -18.619 -8.446 -3.331 1.00 0.00 WT1 H
+ATOM 2997 OH2 TIP3W1898 -18.862 -6.823 0.349 1.00 0.00 WT1 O
+ATOM 2998 H1 TIP3W1898 -18.651 -5.943 0.028 1.00 0.00 WT1 H
+ATOM 2999 H2 TIP3W1898 -18.276 -6.899 1.120 1.00 0.00 WT1 H
+ATOM 3000 OH2 TIP3W1899 -6.325 -14.628 12.470 1.00 0.00 WT1 O
+ATOM 3001 H1 TIP3W1899 -5.522 -14.416 12.013 1.00 0.00 WT1 H
+ATOM 3002 H2 TIP3W1899 -6.979 -14.143 11.963 1.00 0.00 WT1 H
+ATOM 3003 OH2 TIP3W1900 -8.065 -15.811 0.862 1.00 0.00 WT1 O
+ATOM 3004 H1 TIP3W1900 -8.212 -16.407 1.614 1.00 0.00 WT1 H
+ATOM 3005 H2 TIP3W1900 -8.531 -16.275 0.153 1.00 0.00 WT1 H
+ATOM 3006 OH2 TIP3W1901 -11.045 -16.079 11.141 1.00 0.00 WT1 O
+ATOM 3007 H1 TIP3W1901 -11.279 -15.565 11.949 1.00 0.00 WT1 H
+ATOM 3008 H2 TIP3W1901 -10.074 -16.197 11.243 1.00 0.00 WT1 H
+ATOM 3009 OH2 TIP3W1902 -13.157 -10.516 10.039 1.00 0.00 WT1 O
+ATOM 3010 H1 TIP3W1902 -13.538 -9.930 10.720 1.00 0.00 WT1 H
+ATOM 3011 H2 TIP3W1902 -12.642 -9.877 9.519 1.00 0.00 WT1 H
+ATOM 3012 OH2 TIP3W1906 -13.411 -23.260 17.207 1.00 0.00 WT1 O
+ATOM 3013 H1 TIP3W1906 -13.881 -23.024 16.448 1.00 0.00 WT1 H
+ATOM 3014 H2 TIP3W1906 -14.163 -23.568 17.799 1.00 0.00 WT1 H
+ATOM 3015 OH2 TIP3W1907 -1.854 -16.840 14.751 1.00 0.00 WT1 O
+ATOM 3016 H1 TIP3W1907 -2.245 -16.768 13.854 1.00 0.00 WT1 H
+ATOM 3017 H2 TIP3W1907 -1.569 -17.743 14.725 1.00 0.00 WT1 H
+ATOM 3018 OH2 TIP3W1911 -10.944 -13.377 -18.328 1.00 0.00 WT1 O
+ATOM 3019 H1 TIP3W1911 -11.834 -13.621 -17.985 1.00 0.00 WT1 H
+ATOM 3020 H2 TIP3W1911 -11.052 -13.260 -19.297 1.00 0.00 WT1 H
+ATOM 3021 OH2 TIP3W1912 -9.036 -10.885 -13.629 1.00 0.00 WT1 O
+ATOM 3022 H1 TIP3W1912 -9.307 -10.663 -14.539 1.00 0.00 WT1 H
+ATOM 3023 H2 TIP3W1912 -8.727 -9.988 -13.280 1.00 0.00 WT1 H
+ATOM 3024 OH2 TIP3W1913 -1.489 0.453 -18.494 1.00 0.00 WT1 O
+ATOM 3025 H1 TIP3W1913 -1.733 1.371 -18.589 1.00 0.00 WT1 H
+ATOM 3026 H2 TIP3W1913 -2.310 -0.052 -18.585 1.00 0.00 WT1 H
+ATOM 3027 OH2 TIP3W1914 -10.585 -11.530 -9.086 1.00 0.00 WT1 O
+ATOM 3028 H1 TIP3W1914 -10.526 -10.841 -8.420 1.00 0.00 WT1 H
+ATOM 3029 H2 TIP3W1914 -11.400 -11.303 -9.565 1.00 0.00 WT1 H
+ATOM 3030 OH2 TIP3W1915 -9.772 -14.501 -15.811 1.00 0.00 WT1 O
+ATOM 3031 H1 TIP3W1915 -9.207 -14.997 -16.506 1.00 0.00 WT1 H
+ATOM 3032 H2 TIP3W1915 -10.623 -14.413 -16.240 1.00 0.00 WT1 H
+ATOM 3033 OH2 TIP3W1916 -13.423 2.070 1.654 1.00 0.00 WT1 O
+ATOM 3034 H1 TIP3W1916 -12.792 1.312 1.460 1.00 0.00 WT1 H
+ATOM 3035 H2 TIP3W1916 -14.085 1.944 0.913 1.00 0.00 WT1 H
+ATOM 3036 OH2 TIP3W1918 -21.222 1.694 -13.818 1.00 0.00 WT1 O
+ATOM 3037 H1 TIP3W1918 -22.164 1.830 -13.889 1.00 0.00 WT1 H
+ATOM 3038 H2 TIP3W1918 -20.833 2.290 -14.501 1.00 0.00 WT1 H
+ATOM 3039 OH2 TIP3W1919 -8.577 -6.730 -1.465 1.00 0.00 WT1 O
+ATOM 3040 H1 TIP3W1919 -8.317 -7.468 -1.993 1.00 0.00 WT1 H
+ATOM 3041 H2 TIP3W1919 -9.414 -6.515 -1.922 1.00 0.00 WT1 H
+ATOM 3042 OH2 TIP3W1920 -12.090 -14.139 13.080 1.00 0.00 WT1 O
+ATOM 3043 H1 TIP3W1920 -12.120 -13.674 13.944 1.00 0.00 WT1 H
+ATOM 3044 H2 TIP3W1920 -12.869 -14.706 13.085 1.00 0.00 WT1 H
+ATOM 3045 OH2 TIP3W1921 -17.312 -6.155 17.326 1.00 0.00 WT1 O
+ATOM 3046 H1 TIP3W1921 -16.423 -5.912 17.003 1.00 0.00 WT1 H
+ATOM 3047 H2 TIP3W1921 -17.423 -7.027 16.936 1.00 0.00 WT1 H
+ATOM 3048 OH2 TIP3W1922 -0.403 -19.338 7.657 1.00 0.00 WT1 O
+ATOM 3049 H1 TIP3W1922 0.029 -18.484 7.725 1.00 0.00 WT1 H
+ATOM 3050 H2 TIP3W1922 0.220 -19.793 7.071 1.00 0.00 WT1 H
+ATOM 3051 OH2 TIP3W1923 -14.476 -1.664 -0.202 1.00 0.00 WT1 O
+ATOM 3052 H1 TIP3W1923 -15.418 -1.504 -0.225 1.00 0.00 WT1 H
+ATOM 3053 H2 TIP3W1923 -14.380 -2.156 0.622 1.00 0.00 WT1 H
+ATOM 3054 OH2 TIP3W1924 -5.229 0.168 2.157 1.00 0.00 WT1 O
+ATOM 3055 H1 TIP3W1924 -5.885 0.794 1.800 1.00 0.00 WT1 H
+ATOM 3056 H2 TIP3W1924 -4.561 0.742 2.578 1.00 0.00 WT1 H
+ATOM 3057 OH2 TIP3W1925 -18.161 -10.517 14.932 1.00 0.00 WT1 O
+ATOM 3058 H1 TIP3W1925 -18.337 -10.768 15.912 1.00 0.00 WT1 H
+ATOM 3059 H2 TIP3W1925 -18.665 -11.288 14.481 1.00 0.00 WT1 H
+ATOM 3060 OH2 TIP3W1926 -10.069 -5.329 20.381 1.00 0.00 WT1 O
+ATOM 3061 H1 TIP3W1926 -10.172 -6.141 19.939 1.00 0.00 WT1 H
+ATOM 3062 H2 TIP3W1926 -10.481 -4.733 19.737 1.00 0.00 WT1 H
+ATOM 3063 OH2 TIP3W1934 -5.153 2.434 -19.049 1.00 0.00 WT1 O
+ATOM 3064 H1 TIP3W1934 -5.835 3.095 -18.737 1.00 0.00 WT1 H
+ATOM 3065 H2 TIP3W1934 -5.614 1.988 -19.790 1.00 0.00 WT1 H
+ATOM 3066 OH2 TIP3W1935 -4.591 -7.205 -12.771 1.00 0.00 WT1 O
+ATOM 3067 H1 TIP3W1935 -3.733 -6.859 -12.933 1.00 0.00 WT1 H
+ATOM 3068 H2 TIP3W1935 -4.428 -7.965 -12.120 1.00 0.00 WT1 H
+ATOM 3069 OH2 TIP3W1936 -6.898 -6.788 -8.168 1.00 0.00 WT1 O
+ATOM 3070 H1 TIP3W1936 -7.878 -6.632 -8.281 1.00 0.00 WT1 H
+ATOM 3071 H2 TIP3W1936 -6.860 -7.719 -8.497 1.00 0.00 WT1 H
+ATOM 3072 OH2 TIP3W1937 -11.142 -2.949 -7.726 1.00 0.00 WT1 O
+ATOM 3073 H1 TIP3W1937 -10.897 -3.403 -6.922 1.00 0.00 WT1 H
+ATOM 3074 H2 TIP3W1937 -12.072 -3.136 -7.745 1.00 0.00 WT1 H
+ATOM 3075 OH2 TIP3W1938 -6.575 -27.302 -2.132 1.00 0.00 WT1 O
+ATOM 3076 H1 TIP3W1938 -6.497 -28.240 -2.095 1.00 0.00 WT1 H
+ATOM 3077 H2 TIP3W1938 -7.452 -27.255 -2.500 1.00 0.00 WT1 H
+ATOM 3078 OH2 TIP3W1939 -19.908 -0.414 0.581 1.00 0.00 WT1 O
+ATOM 3079 H1 TIP3W1939 -20.405 -1.108 1.052 1.00 0.00 WT1 H
+ATOM 3080 H2 TIP3W1939 -20.650 0.120 0.148 1.00 0.00 WT1 H
+ATOM 3081 OH2 TIP3W1940 -3.509 -16.170 8.606 1.00 0.00 WT1 O
+ATOM 3082 H1 TIP3W1940 -4.078 -16.340 7.767 1.00 0.00 WT1 H
+ATOM 3083 H2 TIP3W1940 -2.681 -15.855 8.158 1.00 0.00 WT1 H
+ATOM 3084 OH2 TIP3W1942 -5.294 3.763 13.697 1.00 0.00 WT1 O
+ATOM 3085 H1 TIP3W1942 -5.310 3.913 14.674 1.00 0.00 WT1 H
+ATOM 3086 H2 TIP3W1942 -6.157 4.219 13.461 1.00 0.00 WT1 H
+ATOM 3087 OH2 TIP3W1943 -3.028 -4.079 15.742 1.00 0.00 WT1 O
+ATOM 3088 H1 TIP3W1943 -3.450 -4.126 14.892 1.00 0.00 WT1 H
+ATOM 3089 H2 TIP3W1943 -3.772 -3.834 16.347 1.00 0.00 WT1 H
+ATOM 3090 OH2 TIP3W1944 -2.689 -8.148 18.721 1.00 0.00 WT1 O
+ATOM 3091 H1 TIP3W1944 -3.490 -8.733 18.760 1.00 0.00 WT1 H
+ATOM 3092 H2 TIP3W1944 -2.173 -8.520 19.427 1.00 0.00 WT1 H
+ATOM 3093 OH2 TIP3W1945 -5.981 -9.436 20.085 1.00 0.00 WT1 O
+ATOM 3094 H1 TIP3W1945 -6.600 -10.115 19.734 1.00 0.00 WT1 H
+ATOM 3095 H2 TIP3W1945 -6.169 -9.302 21.010 1.00 0.00 WT1 H
+ATOM 3096 OH2 TIP3W1946 -13.843 6.212 9.527 1.00 0.00 WT1 O
+ATOM 3097 H1 TIP3W1946 -13.644 6.516 10.383 1.00 0.00 WT1 H
+ATOM 3098 H2 TIP3W1946 -13.588 5.254 9.523 1.00 0.00 WT1 H
+ATOM 3099 OH2 TIP3W1947 -10.699 -16.144 19.730 1.00 0.00 WT1 O
+ATOM 3100 H1 TIP3W1947 -10.474 -16.479 20.609 1.00 0.00 WT1 H
+ATOM 3101 H2 TIP3W1947 -10.394 -15.208 19.828 1.00 0.00 WT1 H
+ATOM 3102 OH2 TIP3W1948 -11.396 -20.041 15.993 1.00 0.00 WT1 O
+ATOM 3103 H1 TIP3W1948 -11.385 -20.593 16.762 1.00 0.00 WT1 H
+ATOM 3104 H2 TIP3W1948 -10.466 -19.716 15.938 1.00 0.00 WT1 H
+ATOM 3105 OH2 TIP3W1949 -19.715 -11.754 6.221 1.00 0.00 WT1 O
+ATOM 3106 H1 TIP3W1949 -19.471 -12.628 5.941 1.00 0.00 WT1 H
+ATOM 3107 H2 TIP3W1949 -20.469 -11.997 6.700 1.00 0.00 WT1 H
+ATOM 3108 OH2 TIP3W1950 -6.854 -3.567 -18.240 1.00 0.00 WT1 O
+ATOM 3109 H1 TIP3W1950 -7.794 -3.384 -18.382 1.00 0.00 WT1 H
+ATOM 3110 H2 TIP3W1950 -6.681 -4.196 -18.951 1.00 0.00 WT1 H
+ATOM 3111 OH2 TIP3W1952 -6.597 -12.656 -18.332 1.00 0.00 WT1 O
+ATOM 3112 H1 TIP3W1952 -6.634 -11.775 -18.734 1.00 0.00 WT1 H
+ATOM 3113 H2 TIP3W1952 -7.029 -13.197 -19.006 1.00 0.00 WT1 H
+ATOM 3114 OH2 TIP3W1953 -11.452 0.223 -19.200 1.00 0.00 WT1 O
+ATOM 3115 H1 TIP3W1953 -12.128 -0.112 -18.471 1.00 0.00 WT1 H
+ATOM 3116 H2 TIP3W1953 -11.419 1.170 -19.073 1.00 0.00 WT1 H
+ATOM 3117 OH2 TIP3W1954 -12.381 -1.744 -14.593 1.00 0.00 WT1 O
+ATOM 3118 H1 TIP3W1954 -12.357 -1.457 -13.646 1.00 0.00 WT1 H
+ATOM 3119 H2 TIP3W1954 -11.642 -2.356 -14.685 1.00 0.00 WT1 H
+ATOM 3120 OH2 TIP3W1955 -16.201 -6.752 -15.711 1.00 0.00 WT1 O
+ATOM 3121 H1 TIP3W1955 -16.001 -6.568 -16.655 1.00 0.00 WT1 H
+ATOM 3122 H2 TIP3W1955 -16.861 -6.070 -15.464 1.00 0.00 WT1 H
+ATOM 3123 OH2 TIP3W1960 -18.214 -3.557 16.498 1.00 0.00 WT1 O
+ATOM 3124 H1 TIP3W1960 -18.200 -4.309 17.116 1.00 0.00 WT1 H
+ATOM 3125 H2 TIP3W1960 -18.849 -3.885 15.875 1.00 0.00 WT1 H
+ATOM 3126 OH2 TIP3W1961 -11.569 -8.607 0.402 1.00 0.00 WT1 O
+ATOM 3127 H1 TIP3W1961 -11.822 -9.044 1.277 1.00 0.00 WT1 H
+ATOM 3128 H2 TIP3W1961 -10.618 -8.375 0.569 1.00 0.00 WT1 H
+ATOM 3129 OH2 TIP3W1963 -0.626 1.562 10.716 1.00 0.00 WT1 O
+ATOM 3130 H1 TIP3W1963 -0.042 0.934 11.178 1.00 0.00 WT1 H
+ATOM 3131 H2 TIP3W1963 -1.531 1.465 11.104 1.00 0.00 WT1 H
+ATOM 3132 OH2 TIP3W1965 -20.468 -19.984 12.590 1.00 0.00 WT1 O
+ATOM 3133 H1 TIP3W1965 -21.229 -20.576 12.619 1.00 0.00 WT1 H
+ATOM 3134 H2 TIP3W1965 -20.146 -20.136 11.643 1.00 0.00 WT1 H
+ATOM 3135 OH2 TIP3W1966 -3.989 -14.720 20.720 1.00 0.00 WT1 O
+ATOM 3136 H1 TIP3W1966 -4.427 -13.920 21.056 1.00 0.00 WT1 H
+ATOM 3137 H2 TIP3W1966 -4.488 -15.428 21.076 1.00 0.00 WT1 H
+ATOM 3138 OH2 TIP3W1967 -16.668 -16.573 6.736 1.00 0.00 WT1 O
+ATOM 3139 H1 TIP3W1967 -15.979 -15.850 6.490 1.00 0.00 WT1 H
+ATOM 3140 H2 TIP3W1967 -16.758 -16.598 7.723 1.00 0.00 WT1 H
+ATOM 3141 OH2 TIP3W1968 -15.529 7.976 21.250 1.00 0.00 WT1 O
+ATOM 3142 H1 TIP3W1968 -16.419 7.802 21.542 1.00 0.00 WT1 H
+ATOM 3143 H2 TIP3W1968 -15.057 7.357 21.715 1.00 0.00 WT1 H
+ATOM 3144 OH2 TIP3W1969 -16.557 -0.793 21.346 1.00 0.00 WT1 O
+ATOM 3145 H1 TIP3W1969 -17.461 -0.723 21.338 1.00 0.00 WT1 H
+ATOM 3146 H2 TIP3W1969 -16.399 -1.694 21.117 1.00 0.00 WT1 H
+ATOM 3147 OH2 TIP3W1976 -2.293 2.449 -21.655 1.00 0.00 WT1 O
+ATOM 3148 H1 TIP3W1976 -2.584 2.364 -22.587 1.00 0.00 WT1 H
+ATOM 3149 H2 TIP3W1976 -2.657 1.661 -21.228 1.00 0.00 WT1 H
+ATOM 3150 OH2 TIP3W1977 1.102 -9.205 -19.091 1.00 0.00 WT1 O
+ATOM 3151 H1 TIP3W1977 0.817 -10.013 -19.643 1.00 0.00 WT1 H
+ATOM 3152 H2 TIP3W1977 1.207 -8.540 -19.815 1.00 0.00 WT1 H
+ATOM 3153 OH2 TIP3W1978 -20.742 8.839 -22.794 1.00 0.00 WT1 O
+ATOM 3154 H1 TIP3W1978 -21.612 9.120 -22.741 1.00 0.00 WT1 H
+ATOM 3155 H2 TIP3W1978 -20.798 7.983 -22.358 1.00 0.00 WT1 H
+ATOM 3156 OH2 TIP3W1980 -9.805 0.186 8.499 1.00 0.00 WT1 O
+ATOM 3157 H1 TIP3W1980 -10.656 -0.054 7.974 1.00 0.00 WT1 H
+ATOM 3158 H2 TIP3W1980 -9.510 1.031 8.158 1.00 0.00 WT1 H
+ATOM 3159 OH2 TIP3W1981 -3.384 12.480 5.459 1.00 0.00 WT1 O
+ATOM 3160 H1 TIP3W1981 -3.586 11.840 4.768 1.00 0.00 WT1 H
+ATOM 3161 H2 TIP3W1981 -3.435 12.003 6.262 1.00 0.00 WT1 H
+ATOM 3162 OH2 TIP3W1982 -3.619 -5.936 13.616 1.00 0.00 WT1 O
+ATOM 3163 H1 TIP3W1982 -3.450 -6.758 14.034 1.00 0.00 WT1 H
+ATOM 3164 H2 TIP3W1982 -3.876 -6.178 12.757 1.00 0.00 WT1 H
+ATOM 3165 OH2 TIP3W1984 -12.630 -0.488 13.900 1.00 0.00 WT1 O
+ATOM 3166 H1 TIP3W1984 -12.425 0.476 14.063 1.00 0.00 WT1 H
+ATOM 3167 H2 TIP3W1984 -12.702 -0.795 14.848 1.00 0.00 WT1 H
+ATOM 3168 OH2 TIP3W1986 -14.673 5.241 6.646 1.00 0.00 WT1 O
+ATOM 3169 H1 TIP3W1986 -14.131 5.967 6.237 1.00 0.00 WT1 H
+ATOM 3170 H2 TIP3W1986 -14.605 5.476 7.562 1.00 0.00 WT1 H
+ATOM 3171 OH2 TIP3W1988 -0.356 -4.212 16.435 1.00 0.00 WT1 O
+ATOM 3172 H1 TIP3W1988 0.028 -5.068 16.162 1.00 0.00 WT1 H
+ATOM 3173 H2 TIP3W1988 -1.249 -4.141 15.970 1.00 0.00 WT1 H
+ATOM 3174 OH2 TIP3W1989 -2.851 5.183 12.582 1.00 0.00 WT1 O
+ATOM 3175 H1 TIP3W1989 -3.562 4.624 12.153 1.00 0.00 WT1 H
+ATOM 3176 H2 TIP3W1989 -3.322 5.838 13.087 1.00 0.00 WT1 H
+ATOM 3177 OH2 TIP3W1993 0.105 -3.334 -17.044 1.00 0.00 WT1 O
+ATOM 3178 H1 TIP3W1993 0.663 -3.769 -17.656 1.00 0.00 WT1 H
+ATOM 3179 H2 TIP3W1993 0.108 -3.966 -16.275 1.00 0.00 WT1 H
+ATOM 3180 OH2 TIP3W1994 -17.375 -8.318 21.491 1.00 0.00 WT1 O
+ATOM 3181 H1 TIP3W1994 -18.069 -8.617 20.894 1.00 0.00 WT1 H
+ATOM 3182 H2 TIP3W1994 -17.460 -8.918 22.216 1.00 0.00 WT1 H
+ATOM 3183 OH2 TIP3W1998 -12.844 3.019 -14.957 1.00 0.00 WT1 O
+ATOM 3184 H1 TIP3W1998 -12.353 3.208 -14.146 1.00 0.00 WT1 H
+ATOM 3185 H2 TIP3W1998 -12.163 2.763 -15.677 1.00 0.00 WT1 H
+ATOM 3186 OH2 TIP3W1999 -13.107 0.775 -1.426 1.00 0.00 WT1 O
+ATOM 3187 H1 TIP3W1999 -13.893 1.318 -1.433 1.00 0.00 WT1 H
+ATOM 3188 H2 TIP3W1999 -13.400 -0.068 -1.063 1.00 0.00 WT1 H
+ATOM 3189 OH2 TIP3W2000 -18.944 9.385 -15.212 1.00 0.00 WT1 O
+ATOM 3190 H1 TIP3W2000 -19.648 9.565 -14.609 1.00 0.00 WT1 H
+ATOM 3191 H2 TIP3W2000 -18.785 8.433 -15.090 1.00 0.00 WT1 H
+ATOM 3192 OH2 TIP3W2001 10.597 15.095 -5.909 1.00 0.00 WT1 O
+ATOM 3193 H1 TIP3W2001 10.541 15.554 -6.699 1.00 0.00 WT1 H
+ATOM 3194 H2 TIP3W2001 9.668 14.909 -5.728 1.00 0.00 WT1 H
+ATOM 3195 OH2 TIP3W2002 -7.239 -2.237 -11.165 1.00 0.00 WT1 O
+ATOM 3196 H1 TIP3W2002 -6.851 -2.759 -11.895 1.00 0.00 WT1 H
+ATOM 3197 H2 TIP3W2002 -6.504 -2.009 -10.612 1.00 0.00 WT1 H
+ATOM 3198 OH2 TIP3W2003 -12.847 -0.971 3.384 1.00 0.00 WT1 O
+ATOM 3199 H1 TIP3W2003 -13.405 -1.754 3.460 1.00 0.00 WT1 H
+ATOM 3200 H2 TIP3W2003 -12.448 -1.031 2.469 1.00 0.00 WT1 H
+ATOM 3201 OH2 TIP3W2005 -4.272 9.376 7.043 1.00 0.00 WT1 O
+ATOM 3202 H1 TIP3W2005 -4.800 9.767 7.796 1.00 0.00 WT1 H
+ATOM 3203 H2 TIP3W2005 -3.803 8.545 7.374 1.00 0.00 WT1 H
+ATOM 3204 OH2 TIP3W2007 -7.299 10.467 19.662 1.00 0.00 WT1 O
+ATOM 3205 H1 TIP3W2007 -6.422 10.413 19.904 1.00 0.00 WT1 H
+ATOM 3206 H2 TIP3W2007 -7.608 11.195 20.091 1.00 0.00 WT1 H
+ATOM 3207 OH2 TIP3W2009 -2.017 -12.756 15.594 1.00 0.00 WT1 O
+ATOM 3208 H1 TIP3W2009 -1.639 -13.573 16.011 1.00 0.00 WT1 H
+ATOM 3209 H2 TIP3W2009 -1.893 -12.892 14.653 1.00 0.00 WT1 H
+ATOM 3210 OH2 TIP3W2011 -0.325 15.738 20.860 1.00 0.00 WT1 O
+ATOM 3211 H1 TIP3W2011 -0.243 14.992 21.480 1.00 0.00 WT1 H
+ATOM 3212 H2 TIP3W2011 -0.262 15.268 19.977 1.00 0.00 WT1 H
+ATOM 3213 OH2 TIP3W2014 -5.905 1.224 -21.394 1.00 0.00 WT1 O
+ATOM 3214 H1 TIP3W2014 -5.960 1.479 -22.309 1.00 0.00 WT1 H
+ATOM 3215 H2 TIP3W2014 -6.704 0.806 -21.190 1.00 0.00 WT1 H
+ATOM 3216 OH2 TIP3W2016 -13.983 8.616 -12.296 1.00 0.00 WT1 O
+ATOM 3217 H1 TIP3W2016 -14.945 8.637 -12.067 1.00 0.00 WT1 H
+ATOM 3218 H2 TIP3W2016 -13.881 9.200 -13.130 1.00 0.00 WT1 H
+ATOM 3219 OH2 TIP3W2018 -8.745 6.716 -12.704 1.00 0.00 WT1 O
+ATOM 3220 H1 TIP3W2018 -8.324 6.921 -13.531 1.00 0.00 WT1 H
+ATOM 3221 H2 TIP3W2018 -9.229 7.508 -12.468 1.00 0.00 WT1 H
+ATOM 3222 OH2 TIP3W2021 -8.736 -1.353 -7.260 1.00 0.00 WT1 O
+ATOM 3223 H1 TIP3W2021 -8.410 -0.874 -8.038 1.00 0.00 WT1 H
+ATOM 3224 H2 TIP3W2021 -9.278 -1.993 -7.744 1.00 0.00 WT1 H
+ATOM 3225 OH2 TIP3W2022 -18.927 4.538 -9.559 1.00 0.00 WT1 O
+ATOM 3226 H1 TIP3W2022 -19.217 4.287 -10.446 1.00 0.00 WT1 H
+ATOM 3227 H2 TIP3W2022 -17.975 4.461 -9.626 1.00 0.00 WT1 H
+ATOM 3228 OH2 TIP3W2023 -16.069 23.960 0.446 1.00 0.00 WT1 O
+ATOM 3229 H1 TIP3W2023 -16.915 24.432 0.499 1.00 0.00 WT1 H
+ATOM 3230 H2 TIP3W2023 -15.390 24.439 0.977 1.00 0.00 WT1 H
+ATOM 3231 OH2 TIP3W2024 -10.260 13.805 -1.339 1.00 0.00 WT1 O
+ATOM 3232 H1 TIP3W2024 -9.526 13.979 -1.880 1.00 0.00 WT1 H
+ATOM 3233 H2 TIP3W2024 -10.236 12.836 -1.305 1.00 0.00 WT1 H
+ATOM 3234 OH2 TIP3W2025 -18.860 2.146 1.281 1.00 0.00 WT1 O
+ATOM 3235 H1 TIP3W2025 -18.478 2.407 0.405 1.00 0.00 WT1 H
+ATOM 3236 H2 TIP3W2025 -19.219 1.289 1.009 1.00 0.00 WT1 H
+ATOM 3237 OH2 TIP3W2026 2.979 0.272 14.194 1.00 0.00 WT1 O
+ATOM 3238 H1 TIP3W2026 3.681 -0.372 13.881 1.00 0.00 WT1 H
+ATOM 3239 H2 TIP3W2026 2.905 0.845 13.397 1.00 0.00 WT1 H
+ATOM 3240 OH2 TIP3W2027 8.637 3.143 20.131 1.00 0.00 WT1 O
+ATOM 3241 H1 TIP3W2027 8.359 3.431 19.253 1.00 0.00 WT1 H
+ATOM 3242 H2 TIP3W2027 8.026 2.474 20.401 1.00 0.00 WT1 H
+ATOM 3243 OH2 TIP3W2028 -1.879 -2.873 18.275 1.00 0.00 WT1 O
+ATOM 3244 H1 TIP3W2028 -1.441 -3.582 17.780 1.00 0.00 WT1 H
+ATOM 3245 H2 TIP3W2028 -2.560 -3.357 18.749 1.00 0.00 WT1 H
+ATOM 3246 OH2 TIP3W2029 8.236 7.767 16.221 1.00 0.00 WT1 O
+ATOM 3247 H1 TIP3W2029 8.457 8.358 16.899 1.00 0.00 WT1 H
+ATOM 3248 H2 TIP3W2029 9.061 7.756 15.684 1.00 0.00 WT1 H
+ATOM 3249 OH2 TIP3W2031 6.852 3.966 15.799 1.00 0.00 WT1 O
+ATOM 3250 H1 TIP3W2031 7.390 4.397 15.149 1.00 0.00 WT1 H
+ATOM 3251 H2 TIP3W2031 7.489 3.992 16.547 1.00 0.00 WT1 H
+ATOM 3252 OH2 TIP3W2032 -8.419 18.189 14.126 1.00 0.00 WT1 O
+ATOM 3253 H1 TIP3W2032 -8.990 18.737 13.565 1.00 0.00 WT1 H
+ATOM 3254 H2 TIP3W2032 -7.637 18.125 13.578 1.00 0.00 WT1 H
+ATOM 3255 OH2 TIP3W2037 -10.056 5.268 -15.411 1.00 0.00 WT1 O
+ATOM 3256 H1 TIP3W2037 -9.344 5.956 -15.304 1.00 0.00 WT1 H
+ATOM 3257 H2 TIP3W2037 -10.910 5.873 -15.436 1.00 0.00 WT1 H
+ATOM 3258 OH2 TIP3W2038 -11.537 7.809 -15.703 1.00 0.00 WT1 O
+ATOM 3259 H1 TIP3W2038 -11.014 8.324 -15.071 1.00 0.00 WT1 H
+ATOM 3260 H2 TIP3W2038 -12.504 8.124 -15.534 1.00 0.00 WT1 H
+ATOM 3261 OH2 TIP3W2039 -0.085 6.399 -22.598 1.00 0.00 WT1 O
+ATOM 3262 H1 TIP3W2039 -0.941 6.017 -22.298 1.00 0.00 WT1 H
+ATOM 3263 H2 TIP3W2039 -0.128 7.259 -22.088 1.00 0.00 WT1 H
+ATOM 3264 OH2 TIP3W2040 -10.424 5.443 -19.203 1.00 0.00 WT1 O
+ATOM 3265 H1 TIP3W2040 -9.752 6.127 -18.858 1.00 0.00 WT1 H
+ATOM 3266 H2 TIP3W2040 -11.270 5.734 -18.753 1.00 0.00 WT1 H
+ATOM 3267 OH2 TIP3W2041 -11.590 13.917 2.618 1.00 0.00 WT1 O
+ATOM 3268 H1 TIP3W2041 -11.037 14.663 2.369 1.00 0.00 WT1 H
+ATOM 3269 H2 TIP3W2041 -11.710 13.986 3.575 1.00 0.00 WT1 H
+ATOM 3270 OH2 TIP3W2043 12.813 6.498 -11.683 1.00 0.00 WT1 O
+ATOM 3271 H1 TIP3W2043 13.248 5.667 -11.917 1.00 0.00 WT1 H
+ATOM 3272 H2 TIP3W2043 13.114 6.665 -10.769 1.00 0.00 WT1 H
+ATOM 3273 OH2 TIP3W2046 -4.508 20.988 -4.279 1.00 0.00 WT1 O
+ATOM 3274 H1 TIP3W2046 -5.063 20.304 -4.686 1.00 0.00 WT1 H
+ATOM 3275 H2 TIP3W2046 -3.785 20.497 -3.900 1.00 0.00 WT1 H
+ATOM 3276 OH2 TIP3W2047 -11.709 14.769 8.612 1.00 0.00 WT1 O
+ATOM 3277 H1 TIP3W2047 -11.379 14.128 9.194 1.00 0.00 WT1 H
+ATOM 3278 H2 TIP3W2047 -12.509 14.421 8.190 1.00 0.00 WT1 H
+ATOM 3279 OH2 TIP3W2048 4.960 13.570 9.131 1.00 0.00 WT1 O
+ATOM 3280 H1 TIP3W2048 4.292 13.985 9.659 1.00 0.00 WT1 H
+ATOM 3281 H2 TIP3W2048 5.500 13.104 9.826 1.00 0.00 WT1 H
+ATOM 3282 OH2 TIP3W2049 -15.898 -2.373 18.228 1.00 0.00 WT1 O
+ATOM 3283 H1 TIP3W2049 -16.686 -2.942 18.560 1.00 0.00 WT1 H
+ATOM 3284 H2 TIP3W2049 -16.277 -1.617 17.801 1.00 0.00 WT1 H
+ATOM 3285 OH2 TIP3W2050 -4.269 3.834 18.170 1.00 0.00 WT1 O
+ATOM 3286 H1 TIP3W2050 -3.755 3.058 18.426 1.00 0.00 WT1 H
+ATOM 3287 H2 TIP3W2050 -4.957 3.451 17.550 1.00 0.00 WT1 H
+ATOM 3288 OH2 TIP3W2052 -3.913 6.475 19.466 1.00 0.00 WT1 O
+ATOM 3289 H1 TIP3W2052 -4.412 6.913 18.807 1.00 0.00 WT1 H
+ATOM 3290 H2 TIP3W2052 -3.966 5.524 19.182 1.00 0.00 WT1 H
+ATOM 3291 OH2 TIP3W2053 -19.632 -0.962 20.331 1.00 0.00 WT1 O
+ATOM 3292 H1 TIP3W2053 -20.313 -0.969 20.938 1.00 0.00 WT1 H
+ATOM 3293 H2 TIP3W2053 -20.001 -0.461 19.597 1.00 0.00 WT1 H
+ATOM 3294 OH2 TIP3W2060 -16.013 11.261 -11.903 1.00 0.00 WT1 O
+ATOM 3295 H1 TIP3W2060 -15.281 11.629 -11.315 1.00 0.00 WT1 H
+ATOM 3296 H2 TIP3W2060 -15.859 11.773 -12.729 1.00 0.00 WT1 H
+ATOM 3297 OH2 TIP3W2061 -5.047 6.221 -7.801 1.00 0.00 WT1 O
+ATOM 3298 H1 TIP3W2061 -5.304 6.503 -8.645 1.00 0.00 WT1 H
+ATOM 3299 H2 TIP3W2061 -5.100 5.286 -7.894 1.00 0.00 WT1 H
+ATOM 3300 OH2 TIP3W2063 -16.861 14.330 -14.254 1.00 0.00 WT1 O
+ATOM 3301 H1 TIP3W2063 -16.657 15.284 -14.059 1.00 0.00 WT1 H
+ATOM 3302 H2 TIP3W2063 -17.785 14.201 -13.983 1.00 0.00 WT1 H
+ATOM 3303 OH2 TIP3W2064 -13.300 29.362 -10.372 1.00 0.00 WT1 O
+ATOM 3304 H1 TIP3W2064 -12.555 29.307 -9.776 1.00 0.00 WT1 H
+ATOM 3305 H2 TIP3W2064 -13.954 29.213 -9.662 1.00 0.00 WT1 H
+ATOM 3306 OH2 TIP3W2065 3.565 13.368 18.923 1.00 0.00 WT1 O
+ATOM 3307 H1 TIP3W2065 3.236 13.159 18.088 1.00 0.00 WT1 H
+ATOM 3308 H2 TIP3W2065 4.389 13.808 18.724 1.00 0.00 WT1 H
+ATOM 3309 OH2 TIP3W2066 -0.157 12.047 -6.124 1.00 0.00 WT1 O
+ATOM 3310 H1 TIP3W2066 0.632 12.517 -6.491 1.00 0.00 WT1 H
+ATOM 3311 H2 TIP3W2066 -0.496 11.699 -6.942 1.00 0.00 WT1 H
+ATOM 3312 OH2 TIP3W2067 -14.849 20.412 0.535 1.00 0.00 WT1 O
+ATOM 3313 H1 TIP3W2067 -14.524 20.592 1.436 1.00 0.00 WT1 H
+ATOM 3314 H2 TIP3W2067 -15.838 20.264 0.686 1.00 0.00 WT1 H
+ATOM 3315 OH2 TIP3W2068 -7.870 12.536 1.026 1.00 0.00 WT1 O
+ATOM 3316 H1 TIP3W2068 -7.572 13.024 0.237 1.00 0.00 WT1 H
+ATOM 3317 H2 TIP3W2068 -7.214 12.835 1.659 1.00 0.00 WT1 H
+ATOM 3318 OH2 TIP3W2069 -9.928 16.401 5.473 1.00 0.00 WT1 O
+ATOM 3319 H1 TIP3W2069 -9.409 16.275 4.663 1.00 0.00 WT1 H
+ATOM 3320 H2 TIP3W2069 -10.114 15.439 5.617 1.00 0.00 WT1 H
+ATOM 3321 OH2 TIP3W2070 -13.868 3.348 9.956 1.00 0.00 WT1 O
+ATOM 3322 H1 TIP3W2070 -14.316 2.902 10.681 1.00 0.00 WT1 H
+ATOM 3323 H2 TIP3W2070 -14.005 2.671 9.248 1.00 0.00 WT1 H
+ATOM 3324 OH2 TIP3W2072 -2.785 20.196 15.097 1.00 0.00 WT1 O
+ATOM 3325 H1 TIP3W2072 -2.846 19.200 15.061 1.00 0.00 WT1 H
+ATOM 3326 H2 TIP3W2072 -3.239 20.410 14.350 1.00 0.00 WT1 H
+ATOM 3327 OH2 TIP3W2073 -6.012 11.882 16.746 1.00 0.00 WT1 O
+ATOM 3328 H1 TIP3W2073 -6.855 12.079 16.353 1.00 0.00 WT1 H
+ATOM 3329 H2 TIP3W2073 -6.289 11.459 17.580 1.00 0.00 WT1 H
+ATOM 3330 OH2 TIP3W2079 -7.157 4.787 -20.117 1.00 0.00 WT1 O
+ATOM 3331 H1 TIP3W2079 -7.759 4.294 -20.590 1.00 0.00 WT1 H
+ATOM 3332 H2 TIP3W2079 -7.330 4.600 -19.131 1.00 0.00 WT1 H
+ATOM 3333 OH2 TIP3W2081 13.545 12.251 -18.332 1.00 0.00 WT1 O
+ATOM 3334 H1 TIP3W2081 13.110 12.081 -19.160 1.00 0.00 WT1 H
+ATOM 3335 H2 TIP3W2081 14.242 11.514 -18.421 1.00 0.00 WT1 H
+ATOM 3336 OH2 TIP3W2082 -0.323 6.381 -19.223 1.00 0.00 WT1 O
+ATOM 3337 H1 TIP3W2082 0.541 6.720 -19.361 1.00 0.00 WT1 H
+ATOM 3338 H2 TIP3W2082 -0.927 6.680 -20.029 1.00 0.00 WT1 H
+ATOM 3339 OH2 TIP3W2083 -21.065 5.164 -7.862 1.00 0.00 WT1 O
+ATOM 3340 H1 TIP3W2083 -20.344 5.079 -8.543 1.00 0.00 WT1 H
+ATOM 3341 H2 TIP3W2083 -20.646 5.774 -7.189 1.00 0.00 WT1 H
+ATOM 3342 OH2 TIP3W2084 -13.224 8.549 -20.962 1.00 0.00 WT1 O
+ATOM 3343 H1 TIP3W2084 -12.592 8.160 -21.568 1.00 0.00 WT1 H
+ATOM 3344 H2 TIP3W2084 -13.635 7.777 -20.611 1.00 0.00 WT1 H
+ATOM 3345 OH2 TIP3W2087 -0.078 28.534 9.036 1.00 0.00 WT1 O
+ATOM 3346 H1 TIP3W2087 0.509 28.108 8.453 1.00 0.00 WT1 H
+ATOM 3347 H2 TIP3W2087 -0.747 28.932 8.378 1.00 0.00 WT1 H
+ATOM 3348 OH2 TIP3W2088 -10.404 18.735 -2.721 1.00 0.00 WT1 O
+ATOM 3349 H1 TIP3W2088 -10.891 19.558 -2.627 1.00 0.00 WT1 H
+ATOM 3350 H2 TIP3W2088 -9.740 18.926 -2.016 1.00 0.00 WT1 H
+ATOM 3351 OH2 TIP3W2089 -9.398 9.833 8.452 1.00 0.00 WT1 O
+ATOM 3352 H1 TIP3W2089 -10.169 9.925 9.031 1.00 0.00 WT1 H
+ATOM 3353 H2 TIP3W2089 -8.722 10.342 8.905 1.00 0.00 WT1 H
+ATOM 3354 OH2 TIP3W2090 -14.648 15.462 1.526 1.00 0.00 WT1 O
+ATOM 3355 H1 TIP3W2090 -15.469 15.415 1.028 1.00 0.00 WT1 H
+ATOM 3356 H2 TIP3W2090 -14.113 14.767 1.034 1.00 0.00 WT1 H
+ATOM 3357 OH2 TIP3W2092 -15.595 12.742 13.107 1.00 0.00 WT1 O
+ATOM 3358 H1 TIP3W2092 -15.427 13.447 12.441 1.00 0.00 WT1 H
+ATOM 3359 H2 TIP3W2092 -16.347 12.270 12.750 1.00 0.00 WT1 H
+ATOM 3360 OH2 TIP3W2093 -13.969 20.697 22.396 1.00 0.00 WT1 O
+ATOM 3361 H1 TIP3W2093 -14.919 20.784 22.049 1.00 0.00 WT1 H
+ATOM 3362 H2 TIP3W2093 -13.620 21.634 22.237 1.00 0.00 WT1 H
+ATOM 3363 OH2 TIP3W2095 -15.920 7.868 17.011 1.00 0.00 WT1 O
+ATOM 3364 H1 TIP3W2095 -16.345 8.662 17.337 1.00 0.00 WT1 H
+ATOM 3365 H2 TIP3W2095 -15.404 8.225 16.312 1.00 0.00 WT1 H
+ATOM 3366 OH2 TIP3W2098 -14.280 5.660 21.803 1.00 0.00 WT1 O
+ATOM 3367 H1 TIP3W2098 -14.851 5.129 22.338 1.00 0.00 WT1 H
+ATOM 3368 H2 TIP3W2098 -13.730 4.995 21.333 1.00 0.00 WT1 H
+ATOM 3369 OH2 TIP3W2102 -5.491 18.770 -5.523 1.00 0.00 WT1 O
+ATOM 3370 H1 TIP3W2102 -4.737 18.483 -6.070 1.00 0.00 WT1 H
+ATOM 3371 H2 TIP3W2102 -5.386 18.256 -4.665 1.00 0.00 WT1 H
+ATOM 3372 OH2 TIP3W2103 -15.625 7.158 -8.575 1.00 0.00 WT1 O
+ATOM 3373 H1 TIP3W2103 -16.430 7.408 -8.254 1.00 0.00 WT1 H
+ATOM 3374 H2 TIP3W2103 -15.107 7.896 -8.190 1.00 0.00 WT1 H
+ATOM 3375 OH2 TIP3W2104 -13.153 22.729 -14.519 1.00 0.00 WT1 O
+ATOM 3376 H1 TIP3W2104 -12.911 21.852 -14.191 1.00 0.00 WT1 H
+ATOM 3377 H2 TIP3W2104 -13.215 23.296 -13.769 1.00 0.00 WT1 H
+ATOM 3378 OH2 TIP3W2105 -14.513 -4.021 -7.309 1.00 0.00 WT1 O
+ATOM 3379 H1 TIP3W2105 -14.715 -3.494 -8.097 1.00 0.00 WT1 H
+ATOM 3380 H2 TIP3W2105 -14.378 -3.299 -6.621 1.00 0.00 WT1 H
+ATOM 3381 OH2 TIP3W2106 14.781 9.527 -4.589 1.00 0.00 WT1 O
+ATOM 3382 H1 TIP3W2106 15.392 8.768 -4.468 1.00 0.00 WT1 H
+ATOM 3383 H2 TIP3W2106 14.601 9.423 -5.538 1.00 0.00 WT1 H
+ATOM 3384 OH2 TIP3W2107 -14.146 10.606 0.888 1.00 0.00 WT1 O
+ATOM 3385 H1 TIP3W2107 -13.653 11.125 0.242 1.00 0.00 WT1 H
+ATOM 3386 H2 TIP3W2107 -13.823 9.695 0.709 1.00 0.00 WT1 H
+ATOM 3387 OH2 TIP3W2108 -20.733 28.329 -5.531 1.00 0.00 WT1 O
+ATOM 3388 H1 TIP3W2108 -20.251 28.691 -6.342 1.00 0.00 WT1 H
+ATOM 3389 H2 TIP3W2108 -21.305 27.684 -5.948 1.00 0.00 WT1 H
+ATOM 3390 OH2 TIP3W2109 -5.707 14.024 13.864 1.00 0.00 WT1 O
+ATOM 3391 H1 TIP3W2109 -5.554 13.100 13.534 1.00 0.00 WT1 H
+ATOM 3392 H2 TIP3W2109 -5.377 14.068 14.798 1.00 0.00 WT1 H
+ATOM 3393 OH2 TIP3W2110 2.635 12.397 4.078 1.00 0.00 WT1 O
+ATOM 3394 H1 TIP3W2110 1.650 12.252 4.100 1.00 0.00 WT1 H
+ATOM 3395 H2 TIP3W2110 2.770 12.565 5.015 1.00 0.00 WT1 H
+ATOM 3396 OH2 TIP3W2111 12.497 28.367 18.511 1.00 0.00 WT1 O
+ATOM 3397 H1 TIP3W2111 12.817 27.533 18.922 1.00 0.00 WT1 H
+ATOM 3398 H2 TIP3W2111 12.592 28.233 17.531 1.00 0.00 WT1 H
+ATOM 3399 OH2 TIP3W2112 -10.877 26.618 3.224 1.00 0.00 WT1 O
+ATOM 3400 H1 TIP3W2112 -11.223 27.237 3.931 1.00 0.00 WT1 H
+ATOM 3401 H2 TIP3W2112 -9.976 26.939 3.031 1.00 0.00 WT1 H
+ATOM 3402 OH2 TIP3W2116 -17.298 9.263 8.201 1.00 0.00 WT1 O
+ATOM 3403 H1 TIP3W2116 -17.007 9.399 9.111 1.00 0.00 WT1 H
+ATOM 3404 H2 TIP3W2116 -16.621 8.712 7.770 1.00 0.00 WT1 H
+ATOM 3405 OH2 TIP3W2122 -11.951 29.797 -13.302 1.00 0.00 WT1 O
+ATOM 3406 H1 TIP3W2122 -12.422 29.745 -12.471 1.00 0.00 WT1 H
+ATOM 3407 H2 TIP3W2122 -12.484 30.429 -13.897 1.00 0.00 WT1 H
+ATOM 3408 OH2 TIP3W2123 -11.623 -30.670 -11.404 1.00 0.00 WT1 O
+ATOM 3409 H1 TIP3W2123 -12.267 -30.167 -11.860 1.00 0.00 WT1 H
+ATOM 3410 H2 TIP3W2123 -10.877 -30.240 -11.984 1.00 0.00 WT1 H
+ATOM 3411 OH2 TIP3W2124 -15.507 17.874 -10.027 1.00 0.00 WT1 O
+ATOM 3412 H1 TIP3W2124 -14.849 17.692 -10.716 1.00 0.00 WT1 H
+ATOM 3413 H2 TIP3W2124 -14.963 18.363 -9.392 1.00 0.00 WT1 H
+ATOM 3414 OH2 TIP3W2125 -14.902 24.319 -10.023 1.00 0.00 WT1 O
+ATOM 3415 H1 TIP3W2125 -14.926 23.331 -10.315 1.00 0.00 WT1 H
+ATOM 3416 H2 TIP3W2125 -15.266 24.372 -9.200 1.00 0.00 WT1 H
+ATOM 3417 OH2 TIP3W2126 -6.680 31.135 -15.554 1.00 0.00 WT1 O
+ATOM 3418 H1 TIP3W2126 -5.824 31.359 -15.081 1.00 0.00 WT1 H
+ATOM 3419 H2 TIP3W2126 -6.774 30.238 -15.319 1.00 0.00 WT1 H
+ATOM 3420 OH2 TIP3W2127 -21.604 -24.995 2.745 1.00 0.00 WT1 O
+ATOM 3421 H1 TIP3W2127 -21.344 -24.377 2.014 1.00 0.00 WT1 H
+ATOM 3422 H2 TIP3W2127 -21.626 -25.884 2.310 1.00 0.00 WT1 H
+ATOM 3423 OH2 TIP3W2128 -1.460 22.674 -3.769 1.00 0.00 WT1 O
+ATOM 3424 H1 TIP3W2128 -0.796 23.340 -3.519 1.00 0.00 WT1 H
+ATOM 3425 H2 TIP3W2128 -1.582 22.066 -3.006 1.00 0.00 WT1 H
+ATOM 3426 OH2 TIP3W2129 -17.157 16.317 -7.801 1.00 0.00 WT1 O
+ATOM 3427 H1 TIP3W2129 -17.235 17.112 -8.329 1.00 0.00 WT1 H
+ATOM 3428 H2 TIP3W2129 -16.950 16.683 -6.926 1.00 0.00 WT1 H
+ATOM 3429 OH2 TIP3W2131 -9.028 29.697 -2.452 1.00 0.00 WT1 O
+ATOM 3430 H1 TIP3W2131 -9.682 29.015 -2.514 1.00 0.00 WT1 H
+ATOM 3431 H2 TIP3W2131 -8.258 29.219 -2.093 1.00 0.00 WT1 H
+ATOM 3432 OH2 TIP3W2132 -21.764 17.708 18.590 1.00 0.00 WT1 O
+ATOM 3433 H1 TIP3W2132 -22.580 18.029 18.956 1.00 0.00 WT1 H
+ATOM 3434 H2 TIP3W2132 -21.541 18.449 18.036 1.00 0.00 WT1 H
+ATOM 3435 OH2 TIP3W2133 -7.793 -27.815 15.334 1.00 0.00 WT1 O
+ATOM 3436 H1 TIP3W2133 -8.136 -27.300 14.564 1.00 0.00 WT1 H
+ATOM 3437 H2 TIP3W2133 -7.752 -27.178 16.000 1.00 0.00 WT1 H
+ATOM 3438 OH2 TIP3W2135 -10.207 8.601 13.108 1.00 0.00 WT1 O
+ATOM 3439 H1 TIP3W2135 -9.680 9.382 12.688 1.00 0.00 WT1 H
+ATOM 3440 H2 TIP3W2135 -11.055 8.958 13.368 1.00 0.00 WT1 H
+ATOM 3441 OH2 TIP3W2136 -9.614 14.401 18.808 1.00 0.00 WT1 O
+ATOM 3442 H1 TIP3W2136 -8.675 14.544 18.596 1.00 0.00 WT1 H
+ATOM 3443 H2 TIP3W2136 -9.970 13.838 18.100 1.00 0.00 WT1 H
+ATOM 3444 OH2 TIP3W2138 -8.033 21.017 4.123 1.00 0.00 WT1 O
+ATOM 3445 H1 TIP3W2138 -7.541 21.757 4.558 1.00 0.00 WT1 H
+ATOM 3446 H2 TIP3W2138 -8.383 20.442 4.830 1.00 0.00 WT1 H
+ATOM 3447 OH2 TIP3W2143 -14.360 22.767 -19.451 1.00 0.00 WT1 O
+ATOM 3448 H1 TIP3W2143 -14.849 22.673 -18.563 1.00 0.00 WT1 H
+ATOM 3449 H2 TIP3W2143 -14.171 21.869 -19.659 1.00 0.00 WT1 H
+ATOM 3450 OH2 TIP3W2146 -14.744 27.828 -8.396 1.00 0.00 WT1 O
+ATOM 3451 H1 TIP3W2146 -15.116 27.221 -7.716 1.00 0.00 WT1 H
+ATOM 3452 H2 TIP3W2146 -14.689 27.240 -9.171 1.00 0.00 WT1 H
+ATOM 3453 OH2 TIP3W2147 -14.304 -24.599 4.014 1.00 0.00 WT1 O
+ATOM 3454 H1 TIP3W2147 -13.373 -24.250 4.374 1.00 0.00 WT1 H
+ATOM 3455 H2 TIP3W2147 -14.694 -24.946 4.819 1.00 0.00 WT1 H
+ATOM 3456 OH2 TIP3W2148 -11.661 23.949 -16.461 1.00 0.00 WT1 O
+ATOM 3457 H1 TIP3W2148 -11.051 23.520 -15.903 1.00 0.00 WT1 H
+ATOM 3458 H2 TIP3W2148 -12.522 23.589 -16.181 1.00 0.00 WT1 H
+ATOM 3459 OH2 TIP3W2150 -19.005 23.737 -6.709 1.00 0.00 WT1 O
+ATOM 3460 H1 TIP3W2150 -19.500 23.883 -5.843 1.00 0.00 WT1 H
+ATOM 3461 H2 TIP3W2150 -19.713 24.065 -7.330 1.00 0.00 WT1 H
+ATOM 3462 OH2 TIP3W2151 -3.880 -31.400 15.031 1.00 0.00 WT1 O
+ATOM 3463 H1 TIP3W2151 -4.611 -32.016 15.137 1.00 0.00 WT1 H
+ATOM 3464 H2 TIP3W2151 -4.165 -30.640 15.562 1.00 0.00 WT1 H
+ATOM 3465 OH2 TIP3W2152 2.483 31.306 -1.875 1.00 0.00 WT1 O
+ATOM 3466 H1 TIP3W2152 2.322 31.588 -0.966 1.00 0.00 WT1 H
+ATOM 3467 H2 TIP3W2152 1.485 31.198 -2.140 1.00 0.00 WT1 H
+ATOM 3468 OH2 TIP3W2153 -7.403 25.596 7.156 1.00 0.00 WT1 O
+ATOM 3469 H1 TIP3W2153 -7.019 26.496 7.246 1.00 0.00 WT1 H
+ATOM 3470 H2 TIP3W2153 -8.301 25.747 6.747 1.00 0.00 WT1 H
+ATOM 3471 OH2 TIP3W2154 -8.771 29.573 13.092 1.00 0.00 WT1 O
+ATOM 3472 H1 TIP3W2154 -9.070 29.415 14.033 1.00 0.00 WT1 H
+ATOM 3473 H2 TIP3W2154 -8.093 30.221 13.280 1.00 0.00 WT1 H
+ATOM 3474 OH2 TIP3W2155 5.459 -24.023 8.427 1.00 0.00 WT1 O
+ATOM 3475 H1 TIP3W2155 4.770 -23.446 7.998 1.00 0.00 WT1 H
+ATOM 3476 H2 TIP3W2155 4.873 -24.480 9.107 1.00 0.00 WT1 H
+ATOM 3477 OH2 TIP3W2156 -18.834 22.091 15.345 1.00 0.00 WT1 O
+ATOM 3478 H1 TIP3W2156 -19.133 21.450 14.750 1.00 0.00 WT1 H
+ATOM 3479 H2 TIP3W2156 -19.647 22.332 15.811 1.00 0.00 WT1 H
+ATOM 3480 OH2 TIP3W2158 -16.339 21.369 21.009 1.00 0.00 WT1 O
+ATOM 3481 H1 TIP3W2158 -17.228 21.518 21.349 1.00 0.00 WT1 H
+ATOM 3482 H2 TIP3W2158 -16.106 22.242 20.478 1.00 0.00 WT1 H
+ATOM 3483 OH2 TIP3W2163 -17.060 -24.038 -8.336 1.00 0.00 WT1 O
+ATOM 3484 H1 TIP3W2163 -17.636 -24.189 -9.122 1.00 0.00 WT1 H
+ATOM 3485 H2 TIP3W2163 -17.641 -23.488 -7.831 1.00 0.00 WT1 H
+ATOM 3486 OH2 TIP3W2165 -7.810 -27.468 -10.751 1.00 0.00 WT1 O
+ATOM 3487 H1 TIP3W2165 -7.950 -26.455 -10.942 1.00 0.00 WT1 H
+ATOM 3488 H2 TIP3W2165 -8.721 -27.695 -10.590 1.00 0.00 WT1 H
+ATOM 3489 OH2 TIP3W2166 -11.214 28.014 -19.583 1.00 0.00 WT1 O
+ATOM 3490 H1 TIP3W2166 -11.947 27.516 -19.141 1.00 0.00 WT1 H
+ATOM 3491 H2 TIP3W2166 -11.085 28.693 -18.954 1.00 0.00 WT1 H
+ATOM 3492 OH2 TIP3W2167 -15.057 -27.899 -21.798 1.00 0.00 WT1 O
+ATOM 3493 H1 TIP3W2167 -14.273 -27.825 -22.337 1.00 0.00 WT1 H
+ATOM 3494 H2 TIP3W2167 -15.803 -27.896 -22.426 1.00 0.00 WT1 H
+ATOM 3495 OH2 TIP3W2168 -5.211 14.849 -21.956 1.00 0.00 WT1 O
+ATOM 3496 H1 TIP3W2168 -5.339 15.235 -22.855 1.00 0.00 WT1 H
+ATOM 3497 H2 TIP3W2168 -4.742 15.588 -21.527 1.00 0.00 WT1 H
+ATOM 3498 OH2 TIP3W2169 -1.861 28.962 -3.174 1.00 0.00 WT1 O
+ATOM 3499 H1 TIP3W2169 -2.690 28.510 -2.945 1.00 0.00 WT1 H
+ATOM 3500 H2 TIP3W2169 -1.650 28.631 -4.019 1.00 0.00 WT1 H
+ATOM 3501 OH2 TIP3W2170 -2.867 26.260 -18.530 1.00 0.00 WT1 O
+ATOM 3502 H1 TIP3W2170 -3.512 26.805 -19.120 1.00 0.00 WT1 H
+ATOM 3503 H2 TIP3W2170 -3.428 25.721 -17.935 1.00 0.00 WT1 H
+ATOM 3504 OH2 TIP3W2171 -19.726 18.529 3.392 1.00 0.00 WT1 O
+ATOM 3505 H1 TIP3W2171 -19.531 19.048 4.205 1.00 0.00 WT1 H
+ATOM 3506 H2 TIP3W2171 -20.180 19.145 2.793 1.00 0.00 WT1 H
+ATOM 3507 OH2 TIP3W2172 -11.151 -31.571 -1.135 1.00 0.00 WT1 O
+ATOM 3508 H1 TIP3W2172 -10.728 -32.304 -1.537 1.00 0.00 WT1 H
+ATOM 3509 H2 TIP3W2172 -10.367 -31.126 -0.686 1.00 0.00 WT1 H
+ATOM 3510 OH2 TIP3W2173 -21.429 25.562 17.208 1.00 0.00 WT1 O
+ATOM 3511 H1 TIP3W2173 -21.301 26.568 17.160 1.00 0.00 WT1 H
+ATOM 3512 H2 TIP3W2173 -21.148 25.166 16.404 1.00 0.00 WT1 H
+ATOM 3513 OH2 TIP3W2174 -2.710 26.929 15.523 1.00 0.00 WT1 O
+ATOM 3514 H1 TIP3W2174 -2.510 27.257 16.423 1.00 0.00 WT1 H
+ATOM 3515 H2 TIP3W2174 -1.781 26.672 15.213 1.00 0.00 WT1 H
+ATOM 3516 OH2 TIP3W2176 -15.127 23.161 19.318 1.00 0.00 WT1 O
+ATOM 3517 H1 TIP3W2176 -14.292 22.662 19.176 1.00 0.00 WT1 H
+ATOM 3518 H2 TIP3W2176 -15.522 23.317 18.407 1.00 0.00 WT1 H
+ATOM 3519 OH2 TIP3W2177 -11.473 30.029 14.330 1.00 0.00 WT1 O
+ATOM 3520 H1 TIP3W2177 -11.426 29.050 14.330 1.00 0.00 WT1 H
+ATOM 3521 H2 TIP3W2177 -10.547 30.230 14.488 1.00 0.00 WT1 H
+ATOM 3522 OH2 TIP3W2178 -11.219 24.752 17.200 1.00 0.00 WT1 O
+ATOM 3523 H1 TIP3W2178 -11.945 25.423 17.102 1.00 0.00 WT1 H
+ATOM 3524 H2 TIP3W2178 -11.555 24.210 17.859 1.00 0.00 WT1 H
+ATOM 3525 OH2 TIP3W2183 -20.737 29.058 -12.779 1.00 0.00 WT1 O
+ATOM 3526 H1 TIP3W2183 -20.799 28.144 -12.858 1.00 0.00 WT1 H
+ATOM 3527 H2 TIP3W2183 -21.064 29.368 -13.676 1.00 0.00 WT1 H
+ATOM 3528 OH2 TIP3W2185 -3.578 -30.210 -3.333 1.00 0.00 WT1 O
+ATOM 3529 H1 TIP3W2185 -3.650 -29.321 -3.769 1.00 0.00 WT1 H
+ATOM 3530 H2 TIP3W2185 -3.054 -30.696 -4.033 1.00 0.00 WT1 H
+ATOM 3531 OH2 TIP3W2186 1.462 -27.019 -6.461 1.00 0.00 WT1 O
+ATOM 3532 H1 TIP3W2186 1.585 -26.546 -5.585 1.00 0.00 WT1 H
+ATOM 3533 H2 TIP3W2186 0.539 -27.036 -6.595 1.00 0.00 WT1 H
+ATOM 3534 OH2 TIP3W2187 1.626 -30.693 -11.061 1.00 0.00 WT1 O
+ATOM 3535 H1 TIP3W2187 0.996 -31.046 -10.395 1.00 0.00 WT1 H
+ATOM 3536 H2 TIP3W2187 1.755 -31.408 -11.669 1.00 0.00 WT1 H
+ATOM 3537 OH2 TIP3W2188 -8.664 18.913 -21.013 1.00 0.00 WT1 O
+ATOM 3538 H1 TIP3W2188 -8.863 19.043 -21.951 1.00 0.00 WT1 H
+ATOM 3539 H2 TIP3W2188 -9.349 19.472 -20.591 1.00 0.00 WT1 H
+ATOM 3540 OH2 TIP3W2189 -12.379 31.185 -8.070 1.00 0.00 WT1 O
+ATOM 3541 H1 TIP3W2189 -11.762 30.456 -8.107 1.00 0.00 WT1 H
+ATOM 3542 H2 TIP3W2189 -12.763 31.120 -7.154 1.00 0.00 WT1 H
+ATOM 3543 OH2 TIP3W2190 -20.796 24.452 -14.835 1.00 0.00 WT1 O
+ATOM 3544 H1 TIP3W2190 -21.042 24.542 -15.787 1.00 0.00 WT1 H
+ATOM 3545 H2 TIP3W2190 -19.831 24.210 -14.908 1.00 0.00 WT1 H
+ATOM 3546 OH2 TIP3W2193 -0.031 30.968 -2.379 1.00 0.00 WT1 O
+ATOM 3547 H1 TIP3W2193 -0.610 30.112 -2.445 1.00 0.00 WT1 H
+ATOM 3548 H2 TIP3W2193 -0.682 31.443 -1.803 1.00 0.00 WT1 H
+ATOM 3549 OH2 TIP3W2194 -13.517 10.591 12.702 1.00 0.00 WT1 O
+ATOM 3550 H1 TIP3W2194 -12.930 11.002 12.147 1.00 0.00 WT1 H
+ATOM 3551 H2 TIP3W2194 -14.162 11.268 12.839 1.00 0.00 WT1 H
+ATOM 3552 OH2 TIP3W2195 7.709 -24.787 6.648 1.00 0.00 WT1 O
+ATOM 3553 H1 TIP3W2195 7.004 -25.069 6.020 1.00 0.00 WT1 H
+ATOM 3554 H2 TIP3W2195 7.285 -24.546 7.423 1.00 0.00 WT1 H
+ATOM 3555 OH2 TIP3W2197 -15.612 -18.675 16.315 1.00 0.00 WT1 O
+ATOM 3556 H1 TIP3W2197 -15.334 -18.405 17.172 1.00 0.00 WT1 H
+ATOM 3557 H2 TIP3W2197 -15.904 -19.605 16.494 1.00 0.00 WT1 H
+ATOM 3558 OH2 TIP3W2198 -10.954 -26.825 19.931 1.00 0.00 WT1 O
+ATOM 3559 H1 TIP3W2198 -10.927 -26.830 18.965 1.00 0.00 WT1 H
+ATOM 3560 H2 TIP3W2198 -10.011 -26.765 20.149 1.00 0.00 WT1 H
+ATOM 3561 OH2 TIP3W2200 -13.756 -24.680 21.635 1.00 0.00 WT1 O
+ATOM 3562 H1 TIP3W2200 -13.478 -25.454 22.211 1.00 0.00 WT1 H
+ATOM 3563 H2 TIP3W2200 -14.316 -24.154 22.180 1.00 0.00 WT1 H
+ATOM 3564 OH2 TIP3W2204 -9.596 17.009 17.695 1.00 0.00 WT1 O
+ATOM 3565 H1 TIP3W2204 -9.581 16.167 18.177 1.00 0.00 WT1 H
+ATOM 3566 H2 TIP3W2204 -9.483 17.678 18.396 1.00 0.00 WT1 H
+ATOM 3567 OH2 TIP3W2205 3.605 27.494 -18.383 1.00 0.00 WT1 O
+ATOM 3568 H1 TIP3W2205 4.520 27.177 -18.225 1.00 0.00 WT1 H
+ATOM 3569 H2 TIP3W2205 3.172 26.672 -18.823 1.00 0.00 WT1 H
+ATOM 3570 OH2 TIP3W2206 3.187 25.532 -9.702 1.00 0.00 WT1 O
+ATOM 3571 H1 TIP3W2206 3.682 25.833 -8.932 1.00 0.00 WT1 H
+ATOM 3572 H2 TIP3W2206 2.498 26.220 -9.863 1.00 0.00 WT1 H
+ATOM 3573 OH2 TIP3W2207 -10.034 29.038 -16.717 1.00 0.00 WT1 O
+ATOM 3574 H1 TIP3W2207 -9.609 28.504 -17.390 1.00 0.00 WT1 H
+ATOM 3575 H2 TIP3W2207 -9.368 29.250 -16.094 1.00 0.00 WT1 H
+ATOM 3576 OH2 TIP3W2208 9.689 -15.969 -12.502 1.00 0.00 WT1 O
+ATOM 3577 H1 TIP3W2208 10.359 -16.649 -12.562 1.00 0.00 WT1 H
+ATOM 3578 H2 TIP3W2208 9.618 -15.694 -13.452 1.00 0.00 WT1 H
+ATOM 3579 OH2 TIP3W2209 -2.119 27.511 -10.150 1.00 0.00 WT1 O
+ATOM 3580 H1 TIP3W2209 -1.888 28.251 -9.627 1.00 0.00 WT1 H
+ATOM 3581 H2 TIP3W2209 -3.026 27.435 -9.843 1.00 0.00 WT1 H
+ATOM 3582 OH2 TIP3W2210 -0.858 28.478 0.732 1.00 0.00 WT1 O
+ATOM 3583 H1 TIP3W2210 -1.841 28.267 0.750 1.00 0.00 WT1 H
+ATOM 3584 H2 TIP3W2210 -0.867 29.214 0.095 1.00 0.00 WT1 H
+ATOM 3585 OH2 TIP3W2211 -4.662 -27.727 3.225 1.00 0.00 WT1 O
+ATOM 3586 H1 TIP3W2211 -3.724 -27.877 3.122 1.00 0.00 WT1 H
+ATOM 3587 H2 TIP3W2211 -4.755 -27.696 4.201 1.00 0.00 WT1 H
+ATOM 3588 OH2 TIP3W2212 -1.247 -15.384 7.183 1.00 0.00 WT1 O
+ATOM 3589 H1 TIP3W2212 -0.838 -15.781 6.496 1.00 0.00 WT1 H
+ATOM 3590 H2 TIP3W2212 -1.452 -14.477 6.874 1.00 0.00 WT1 H
+ATOM 3591 OH2 TIP3W2213 12.327 -17.352 2.457 1.00 0.00 WT1 O
+ATOM 3592 H1 TIP3W2213 11.652 -17.352 3.170 1.00 0.00 WT1 H
+ATOM 3593 H2 TIP3W2213 12.710 -16.432 2.576 1.00 0.00 WT1 H
+ATOM 3594 OH2 TIP3W2214 2.030 28.660 0.322 1.00 0.00 WT1 O
+ATOM 3595 H1 TIP3W2214 1.857 29.436 -0.248 1.00 0.00 WT1 H
+ATOM 3596 H2 TIP3W2214 1.162 28.153 0.256 1.00 0.00 WT1 H
+ATOM 3597 OH2 TIP3W2215 1.620 25.965 5.028 1.00 0.00 WT1 O
+ATOM 3598 H1 TIP3W2215 1.119 25.792 4.212 1.00 0.00 WT1 H
+ATOM 3599 H2 TIP3W2215 2.045 25.111 5.266 1.00 0.00 WT1 H
+ATOM 3600 OH2 TIP3W2216 -6.778 27.532 16.288 1.00 0.00 WT1 O
+ATOM 3601 H1 TIP3W2216 -6.488 28.439 16.383 1.00 0.00 WT1 H
+ATOM 3602 H2 TIP3W2216 -6.675 27.394 15.363 1.00 0.00 WT1 H
+ATOM 3603 OH2 TIP3W2217 -6.111 -23.241 10.661 1.00 0.00 WT1 O
+ATOM 3604 H1 TIP3W2217 -7.145 -23.191 10.637 1.00 0.00 WT1 H
+ATOM 3605 H2 TIP3W2217 -5.861 -23.313 9.703 1.00 0.00 WT1 H
+ATOM 3606 OH2 TIP3W2219 -9.037 -26.087 13.440 1.00 0.00 WT1 O
+ATOM 3607 H1 TIP3W2219 -8.557 -25.439 12.910 1.00 0.00 WT1 H
+ATOM 3608 H2 TIP3W2219 -9.571 -26.531 12.717 1.00 0.00 WT1 H
+ATOM 3609 OH2 TIP3W2220 -12.310 22.749 19.107 1.00 0.00 WT1 O
+ATOM 3610 H1 TIP3W2220 -12.752 22.940 19.976 1.00 0.00 WT1 H
+ATOM 3611 H2 TIP3W2220 -11.330 22.749 19.219 1.00 0.00 WT1 H
+ATOM 3612 OH2 TIP3W2227 -11.386 -28.256 -19.723 1.00 0.00 WT1 O
+ATOM 3613 H1 TIP3W2227 -10.533 -28.047 -19.266 1.00 0.00 WT1 H
+ATOM 3614 H2 TIP3W2227 -12.014 -27.981 -19.056 1.00 0.00 WT1 H
+ATOM 3615 OH2 TIP3W2228 1.777 23.180 -14.954 1.00 0.00 WT1 O
+ATOM 3616 H1 TIP3W2228 0.823 23.283 -14.819 1.00 0.00 WT1 H
+ATOM 3617 H2 TIP3W2228 2.020 23.292 -14.070 1.00 0.00 WT1 H
+ATOM 3618 OH2 TIP3W2229 -1.672 -14.119 -13.966 1.00 0.00 WT1 O
+ATOM 3619 H1 TIP3W2229 -0.867 -13.939 -13.375 1.00 0.00 WT1 H
+ATOM 3620 H2 TIP3W2229 -1.527 -13.532 -14.678 1.00 0.00 WT1 H
+ATOM 3621 OH2 TIP3W2231 -17.702 -28.326 -9.481 1.00 0.00 WT1 O
+ATOM 3622 H1 TIP3W2231 -17.616 -27.661 -8.821 1.00 0.00 WT1 H
+ATOM 3623 H2 TIP3W2231 -18.654 -28.432 -9.601 1.00 0.00 WT1 H
+ATOM 3624 OH2 TIP3W2232 -3.019 -18.627 -3.907 1.00 0.00 WT1 O
+ATOM 3625 H1 TIP3W2232 -2.555 -17.725 -3.801 1.00 0.00 WT1 H
+ATOM 3626 H2 TIP3W2232 -2.384 -19.171 -4.449 1.00 0.00 WT1 H
+ATOM 3627 OH2 TIP3W2234 -0.994 -24.246 3.776 1.00 0.00 WT1 O
+ATOM 3628 H1 TIP3W2234 -0.608 -25.140 3.854 1.00 0.00 WT1 H
+ATOM 3629 H2 TIP3W2234 -1.053 -23.899 4.687 1.00 0.00 WT1 H
+ATOM 3630 OH2 TIP3W2235 7.537 -24.537 13.884 1.00 0.00 WT1 O
+ATOM 3631 H1 TIP3W2235 8.320 -24.164 13.431 1.00 0.00 WT1 H
+ATOM 3632 H2 TIP3W2235 7.783 -24.676 14.803 1.00 0.00 WT1 H
+ATOM 3633 OH2 TIP3W2236 -20.790 -15.760 3.328 1.00 0.00 WT1 O
+ATOM 3634 H1 TIP3W2236 -20.148 -15.027 3.500 1.00 0.00 WT1 H
+ATOM 3635 H2 TIP3W2236 -20.655 -16.381 4.073 1.00 0.00 WT1 H
+ATOM 3636 OH2 TIP3W2237 3.778 -30.214 16.945 1.00 0.00 WT1 O
+ATOM 3637 H1 TIP3W2237 3.436 -31.020 17.431 1.00 0.00 WT1 H
+ATOM 3638 H2 TIP3W2237 3.977 -30.552 16.016 1.00 0.00 WT1 H
+ATOM 3639 OH2 TIP3W2238 -8.761 -25.217 21.443 1.00 0.00 WT1 O
+ATOM 3640 H1 TIP3W2238 -8.274 -25.874 20.903 1.00 0.00 WT1 H
+ATOM 3641 H2 TIP3W2238 -8.372 -25.414 22.291 1.00 0.00 WT1 H
+ATOM 3642 OH2 TIP3W2239 8.093 20.123 10.434 1.00 0.00 WT1 O
+ATOM 3643 H1 TIP3W2239 8.499 19.214 10.355 1.00 0.00 WT1 H
+ATOM 3644 H2 TIP3W2239 8.867 20.643 10.134 1.00 0.00 WT1 H
+ATOM 3645 OH2 TIP3W2240 -6.252 -30.144 10.715 1.00 0.00 WT1 O
+ATOM 3646 H1 TIP3W2240 -6.439 -30.949 11.315 1.00 0.00 WT1 H
+ATOM 3647 H2 TIP3W2240 -5.334 -30.326 10.447 1.00 0.00 WT1 H
+ATOM 3648 OH2 TIP3W2241 -5.364 -26.620 21.183 1.00 0.00 WT1 O
+ATOM 3649 H1 TIP3W2241 -4.851 -25.797 20.937 1.00 0.00 WT1 H
+ATOM 3650 H2 TIP3W2241 -5.357 -27.145 20.349 1.00 0.00 WT1 H
+ATOM 3651 OH2 TIP3W2244 -8.719 -27.783 -19.240 1.00 0.00 WT1 O
+ATOM 3652 H1 TIP3W2244 -8.519 -27.766 -18.290 1.00 0.00 WT1 H
+ATOM 3653 H2 TIP3W2244 -8.464 -26.913 -19.546 1.00 0.00 WT1 H
+ATOM 3654 OH2 TIP3W2250 -5.164 -29.007 -18.992 1.00 0.00 WT1 O
+ATOM 3655 H1 TIP3W2250 -4.391 -28.973 -19.596 1.00 0.00 WT1 H
+ATOM 3656 H2 TIP3W2250 -5.189 -29.982 -18.787 1.00 0.00 WT1 H
+ATOM 3657 OH2 TIP3W2251 -5.895 -14.491 -16.435 1.00 0.00 WT1 O
+ATOM 3658 H1 TIP3W2251 -6.180 -13.854 -17.102 1.00 0.00 WT1 H
+ATOM 3659 H2 TIP3W2251 -5.771 -13.881 -15.612 1.00 0.00 WT1 H
+ATOM 3660 OH2 TIP3W2252 -4.578 31.390 -7.828 1.00 0.00 WT1 O
+ATOM 3661 H1 TIP3W2252 -4.920 31.975 -7.078 1.00 0.00 WT1 H
+ATOM 3662 H2 TIP3W2252 -5.405 30.973 -8.193 1.00 0.00 WT1 H
+ATOM 3663 OH2 TIP3W2253 -4.393 -14.437 -13.444 1.00 0.00 WT1 O
+ATOM 3664 H1 TIP3W2253 -4.628 -13.496 -13.361 1.00 0.00 WT1 H
+ATOM 3665 H2 TIP3W2253 -3.435 -14.417 -13.547 1.00 0.00 WT1 H
+ATOM 3666 OH2 TIP3W2254 -5.159 -23.947 -8.132 1.00 0.00 WT1 O
+ATOM 3667 H1 TIP3W2254 -6.127 -23.884 -8.151 1.00 0.00 WT1 H
+ATOM 3668 H2 TIP3W2254 -4.949 -24.638 -8.806 1.00 0.00 WT1 H
+ATOM 3669 OH2 TIP3W2256 -7.241 -22.355 4.197 1.00 0.00 WT1 O
+ATOM 3670 H1 TIP3W2256 -6.440 -22.571 4.579 1.00 0.00 WT1 H
+ATOM 3671 H2 TIP3W2256 -7.935 -22.534 4.918 1.00 0.00 WT1 H
+ATOM 3672 OH2 TIP3W2257 -12.914 -31.819 1.664 1.00 0.00 WT1 O
+ATOM 3673 H1 TIP3W2257 -13.638 -32.113 2.183 1.00 0.00 WT1 H
+ATOM 3674 H2 TIP3W2257 -13.245 -31.001 1.324 1.00 0.00 WT1 H
+ATOM 3675 OH2 TIP3W2258 -0.166 -26.273 10.938 1.00 0.00 WT1 O
+ATOM 3676 H1 TIP3W2258 -0.693 -27.072 11.042 1.00 0.00 WT1 H
+ATOM 3677 H2 TIP3W2258 0.568 -26.639 10.338 1.00 0.00 WT1 H
+ATOM 3678 OH2 TIP3W2259 3.416 -19.405 20.409 1.00 0.00 WT1 O
+ATOM 3679 H1 TIP3W2259 2.973 -19.227 19.584 1.00 0.00 WT1 H
+ATOM 3680 H2 TIP3W2259 3.095 -18.675 20.931 1.00 0.00 WT1 H
+ATOM 3681 OH2 TIP3W2260 -10.839 -16.547 17.051 1.00 0.00 WT1 O
+ATOM 3682 H1 TIP3W2260 -10.512 -16.574 17.939 1.00 0.00 WT1 H
+ATOM 3683 H2 TIP3W2260 -11.646 -15.970 17.006 1.00 0.00 WT1 H
+ATOM 3684 OH2 TIP3W2261 -7.342 -25.757 17.115 1.00 0.00 WT1 O
+ATOM 3685 H1 TIP3W2261 -8.148 -25.276 17.126 1.00 0.00 WT1 H
+ATOM 3686 H2 TIP3W2261 -6.794 -25.234 17.707 1.00 0.00 WT1 H
+ATOM 3687 OH2 TIP3W2269 -1.946 -24.419 -2.556 1.00 0.00 WT1 O
+ATOM 3688 H1 TIP3W2269 -1.927 -24.463 -3.499 1.00 0.00 WT1 H
+ATOM 3689 H2 TIP3W2269 -1.051 -24.103 -2.283 1.00 0.00 WT1 H
+ATOM 3690 OH2 TIP3W2270 -19.412 -21.248 -17.240 1.00 0.00 WT1 O
+ATOM 3691 H1 TIP3W2270 -18.682 -21.334 -17.842 1.00 0.00 WT1 H
+ATOM 3692 H2 TIP3W2270 -19.382 -20.303 -17.065 1.00 0.00 WT1 H
+ATOM 3693 OH2 TIP3W2271 1.449 -20.970 -12.252 1.00 0.00 WT1 O
+ATOM 3694 H1 TIP3W2271 1.821 -20.060 -12.355 1.00 0.00 WT1 H
+ATOM 3695 H2 TIP3W2271 0.897 -21.065 -13.042 1.00 0.00 WT1 H
+ATOM 3696 OH2 TIP3W2272 -9.664 -29.496 -5.782 1.00 0.00 WT1 O
+ATOM 3697 H1 TIP3W2272 -10.165 -29.976 -5.105 1.00 0.00 WT1 H
+ATOM 3698 H2 TIP3W2272 -10.346 -29.411 -6.493 1.00 0.00 WT1 H
+ATOM 3699 OH2 TIP3W2273 6.986 -7.498 -4.378 1.00 0.00 WT1 O
+ATOM 3700 H1 TIP3W2273 7.621 -7.012 -3.882 1.00 0.00 WT1 H
+ATOM 3701 H2 TIP3W2273 7.438 -8.342 -4.450 1.00 0.00 WT1 H
+ATOM 3702 OH2 TIP3W2274 -8.831 -2.031 -4.534 1.00 0.00 WT1 O
+ATOM 3703 H1 TIP3W2274 -9.785 -2.077 -4.384 1.00 0.00 WT1 H
+ATOM 3704 H2 TIP3W2274 -8.702 -1.781 -5.416 1.00 0.00 WT1 H
+ATOM 3705 OH2 TIP3W2275 -1.743 -17.404 -14.602 1.00 0.00 WT1 O
+ATOM 3706 H1 TIP3W2275 -0.970 -16.752 -14.670 1.00 0.00 WT1 H
+ATOM 3707 H2 TIP3W2275 -2.538 -16.888 -14.639 1.00 0.00 WT1 H
+ATOM 3708 OH2 TIP3W2277 -8.942 -24.446 -2.248 1.00 0.00 WT1 O
+ATOM 3709 H1 TIP3W2277 -9.403 -25.249 -2.514 1.00 0.00 WT1 H
+ATOM 3710 H2 TIP3W2277 -9.568 -24.092 -1.507 1.00 0.00 WT1 H
+ATOM 3711 OH2 TIP3W2278 0.079 -26.777 3.757 1.00 0.00 WT1 O
+ATOM 3712 H1 TIP3W2278 0.070 -27.546 4.296 1.00 0.00 WT1 H
+ATOM 3713 H2 TIP3W2278 0.898 -26.915 3.226 1.00 0.00 WT1 H
+ATOM 3714 OH2 TIP3W2280 -15.974 -29.011 -6.152 1.00 0.00 WT1 O
+ATOM 3715 H1 TIP3W2280 -16.448 -29.420 -5.364 1.00 0.00 WT1 H
+ATOM 3716 H2 TIP3W2280 -16.338 -29.524 -6.888 1.00 0.00 WT1 H
+ATOM 3717 OH2 TIP3W2281 -12.668 -20.629 7.580 1.00 0.00 WT1 O
+ATOM 3718 H1 TIP3W2281 -12.834 -19.705 7.439 1.00 0.00 WT1 H
+ATOM 3719 H2 TIP3W2281 -13.282 -21.096 6.951 1.00 0.00 WT1 H
+ATOM 3720 OH2 TIP3W2282 -20.946 -22.924 19.632 1.00 0.00 WT1 O
+ATOM 3721 H1 TIP3W2282 -21.837 -23.029 19.289 1.00 0.00 WT1 H
+ATOM 3722 H2 TIP3W2282 -20.541 -22.131 19.232 1.00 0.00 WT1 H
+ATOM 3723 OH2 TIP3W2283 -16.791 -17.089 14.096 1.00 0.00 WT1 O
+ATOM 3724 H1 TIP3W2283 -17.747 -16.956 14.284 1.00 0.00 WT1 H
+ATOM 3725 H2 TIP3W2283 -16.533 -17.818 14.690 1.00 0.00 WT1 H
+ATOM 3726 OH2 TIP3W2284 -8.292 -16.008 10.788 1.00 0.00 WT1 O
+ATOM 3727 H1 TIP3W2284 -8.370 -15.098 10.415 1.00 0.00 WT1 H
+ATOM 3728 H2 TIP3W2284 -7.315 -16.184 10.725 1.00 0.00 WT1 H
+ATOM 3729 OH2 TIP3W2285 1.697 -27.448 18.341 1.00 0.00 WT1 O
+ATOM 3730 H1 TIP3W2285 1.411 -27.286 17.406 1.00 0.00 WT1 H
+ATOM 3731 H2 TIP3W2285 2.618 -27.750 18.260 1.00 0.00 WT1 H
+ATOM 3732 OH2 TIP3W2286 -14.244 -15.869 13.886 1.00 0.00 WT1 O
+ATOM 3733 H1 TIP3W2286 -13.719 -16.554 14.307 1.00 0.00 WT1 H
+ATOM 3734 H2 TIP3W2286 -15.165 -16.247 13.760 1.00 0.00 WT1 H
+ATOM 3735 OH2 TIP3W2288 -18.958 -16.954 -13.510 1.00 0.00 WT1 O
+ATOM 3736 H1 TIP3W2288 -18.982 -16.039 -13.829 1.00 0.00 WT1 H
+ATOM 3737 H2 TIP3W2288 -19.320 -16.929 -12.602 1.00 0.00 WT1 H
+ATOM 3738 OH2 TIP3W2290 -20.974 0.088 -18.660 1.00 0.00 WT1 O
+ATOM 3739 H1 TIP3W2290 -20.662 -0.579 -18.013 1.00 0.00 WT1 H
+ATOM 3740 H2 TIP3W2290 -21.908 0.150 -18.463 1.00 0.00 WT1 H
+ATOM 3741 OH2 TIP3W2292 -3.126 -26.816 -8.749 1.00 0.00 WT1 O
+ATOM 3742 H1 TIP3W2292 -2.390 -26.157 -8.549 1.00 0.00 WT1 H
+ATOM 3743 H2 TIP3W2292 -3.492 -26.532 -9.613 1.00 0.00 WT1 H
+ATOM 3744 OH2 TIP3W2293 -20.945 -14.143 -15.058 1.00 0.00 WT1 O
+ATOM 3745 H1 TIP3W2293 -21.831 -13.917 -15.186 1.00 0.00 WT1 H
+ATOM 3746 H2 TIP3W2293 -20.605 -13.404 -14.529 1.00 0.00 WT1 H
+ATOM 3747 OH2 TIP3W2294 6.909 -9.269 -7.304 1.00 0.00 WT1 O
+ATOM 3748 H1 TIP3W2294 6.553 -10.153 -7.035 1.00 0.00 WT1 H
+ATOM 3749 H2 TIP3W2294 7.852 -9.495 -7.402 1.00 0.00 WT1 H
+ATOM 3750 OH2 TIP3W2295 -13.870 -31.588 -1.623 1.00 0.00 WT1 O
+ATOM 3751 H1 TIP3W2295 -14.227 -32.008 -0.734 1.00 0.00 WT1 H
+ATOM 3752 H2 TIP3W2295 -12.964 -31.361 -1.504 1.00 0.00 WT1 H
+ATOM 3753 OH2 TIP3W2296 4.722 -21.766 -10.651 1.00 0.00 WT1 O
+ATOM 3754 H1 TIP3W2296 4.743 -22.123 -11.594 1.00 0.00 WT1 H
+ATOM 3755 H2 TIP3W2296 4.750 -20.810 -10.820 1.00 0.00 WT1 H
+ATOM 3756 OH2 TIP3W2298 0.626 -26.604 7.652 1.00 0.00 WT1 O
+ATOM 3757 H1 TIP3W2298 1.217 -26.893 8.363 1.00 0.00 WT1 H
+ATOM 3758 H2 TIP3W2298 1.222 -26.272 6.964 1.00 0.00 WT1 H
+ATOM 3759 OH2 TIP3W2299 -9.152 -7.070 10.196 1.00 0.00 WT1 O
+ATOM 3760 H1 TIP3W2299 -9.004 -8.043 10.336 1.00 0.00 WT1 H
+ATOM 3761 H2 TIP3W2299 -9.723 -6.958 9.394 1.00 0.00 WT1 H
+ATOM 3762 OH2 TIP3W2300 -8.117 -10.530 1.041 1.00 0.00 WT1 O
+ATOM 3763 H1 TIP3W2300 -7.262 -10.535 0.609 1.00 0.00 WT1 H
+ATOM 3764 H2 TIP3W2300 -8.161 -11.414 1.446 1.00 0.00 WT1 H
+ATOM 3765 OH2 TIP3W2301 -12.221 -22.696 10.265 1.00 0.00 WT1 O
+ATOM 3766 H1 TIP3W2301 -11.852 -22.701 9.358 1.00 0.00 WT1 H
+ATOM 3767 H2 TIP3W2301 -11.749 -21.981 10.715 1.00 0.00 WT1 H
+ATOM 3768 OH2 TIP3W2302 -7.477 -18.953 0.900 1.00 0.00 WT1 O
+ATOM 3769 H1 TIP3W2302 -7.053 -19.781 1.219 1.00 0.00 WT1 H
+ATOM 3770 H2 TIP3W2302 -6.804 -18.508 0.392 1.00 0.00 WT1 H
+ATOM 3771 OH2 TIP3W2305 -1.631 -30.430 21.228 1.00 0.00 WT1 O
+ATOM 3772 H1 TIP3W2305 -2.451 -30.832 21.328 1.00 0.00 WT1 H
+ATOM 3773 H2 TIP3W2305 -1.192 -30.683 22.037 1.00 0.00 WT1 H
+ATOM 3774 OH2 TIP3W2309 -8.317 -22.406 -18.825 1.00 0.00 WT1 O
+ATOM 3775 H1 TIP3W2309 -7.613 -21.879 -18.442 1.00 0.00 WT1 H
+ATOM 3776 H2 TIP3W2309 -8.896 -22.548 -18.102 1.00 0.00 WT1 H
+ATOM 3777 OH2 TIP3W2311 -7.895 -18.590 -14.144 1.00 0.00 WT1 O
+ATOM 3778 H1 TIP3W2311 -7.424 -18.035 -14.809 1.00 0.00 WT1 H
+ATOM 3779 H2 TIP3W2311 -8.765 -18.157 -14.081 1.00 0.00 WT1 H
+ATOM 3780 OH2 TIP3W2313 5.722 -24.656 -11.993 1.00 0.00 WT1 O
+ATOM 3781 H1 TIP3W2313 5.978 -25.582 -12.278 1.00 0.00 WT1 H
+ATOM 3782 H2 TIP3W2313 5.539 -24.756 -11.054 1.00 0.00 WT1 H
+ATOM 3783 OH2 TIP3W2316 -10.313 -26.983 -12.790 1.00 0.00 WT1 O
+ATOM 3784 H1 TIP3W2316 -10.202 -27.935 -12.984 1.00 0.00 WT1 H
+ATOM 3785 H2 TIP3W2316 -9.433 -26.693 -12.693 1.00 0.00 WT1 H
+ATOM 3786 OH2 TIP3W2317 -18.827 -19.154 -8.051 1.00 0.00 WT1 O
+ATOM 3787 H1 TIP3W2317 -19.034 -18.861 -7.135 1.00 0.00 WT1 H
+ATOM 3788 H2 TIP3W2317 -19.724 -19.086 -8.454 1.00 0.00 WT1 H
+ATOM 3789 OH2 TIP3W2318 -12.297 -8.371 -20.901 1.00 0.00 WT1 O
+ATOM 3790 H1 TIP3W2318 -12.239 -7.465 -21.176 1.00 0.00 WT1 H
+ATOM 3791 H2 TIP3W2318 -11.397 -8.543 -20.639 1.00 0.00 WT1 H
+ATOM 3792 OH2 TIP3W2321 -13.919 -6.506 7.558 1.00 0.00 WT1 O
+ATOM 3793 H1 TIP3W2321 -14.272 -7.204 6.893 1.00 0.00 WT1 H
+ATOM 3794 H2 TIP3W2321 -14.639 -6.519 8.236 1.00 0.00 WT1 H
+ATOM 3795 OH2 TIP3W2322 2.595 -18.440 5.414 1.00 0.00 WT1 O
+ATOM 3796 H1 TIP3W2322 2.625 -18.501 6.403 1.00 0.00 WT1 H
+ATOM 3797 H2 TIP3W2322 1.953 -19.196 5.260 1.00 0.00 WT1 H
+ATOM 3798 OH2 TIP3W2324 -18.056 -15.116 16.625 1.00 0.00 WT1 O
+ATOM 3799 H1 TIP3W2324 -18.442 -15.720 17.309 1.00 0.00 WT1 H
+ATOM 3800 H2 TIP3W2324 -18.691 -15.264 15.949 1.00 0.00 WT1 H
+ATOM 3801 OH2 TIP3W2325 -0.845 -15.341 16.892 1.00 0.00 WT1 O
+ATOM 3802 H1 TIP3W2325 0.052 -15.191 16.691 1.00 0.00 WT1 H
+ATOM 3803 H2 TIP3W2325 -1.172 -15.856 16.131 1.00 0.00 WT1 H
+ATOM 3804 OH2 TIP3W2326 -9.041 -19.783 12.974 1.00 0.00 WT1 O
+ATOM 3805 H1 TIP3W2326 -9.071 -19.387 13.861 1.00 0.00 WT1 H
+ATOM 3806 H2 TIP3W2326 -8.385 -20.534 13.053 1.00 0.00 WT1 H
+ATOM 3807 OH2 TIP3W2327 -18.504 -7.752 15.301 1.00 0.00 WT1 O
+ATOM 3808 H1 TIP3W2327 -18.223 -8.719 15.197 1.00 0.00 WT1 H
+ATOM 3809 H2 TIP3W2327 -19.446 -7.837 15.503 1.00 0.00 WT1 H
+ATOM 3810 OH2 TIP3W2328 1.934 -5.869 22.000 1.00 0.00 WT1 O
+ATOM 3811 H1 TIP3W2328 1.799 -5.265 21.251 1.00 0.00 WT1 H
+ATOM 3812 H2 TIP3W2328 1.913 -6.768 21.582 1.00 0.00 WT1 H
+ATOM 3813 OH2 TIP3W2329 2.989 -15.648 -21.252 1.00 0.00 WT1 O
+ATOM 3814 H1 TIP3W2329 2.858 -16.100 -20.374 1.00 0.00 WT1 H
+ATOM 3815 H2 TIP3W2329 3.178 -16.445 -21.839 1.00 0.00 WT1 H
+ATOM 3816 OH2 TIP3W2331 4.531 -19.003 -16.069 1.00 0.00 WT1 O
+ATOM 3817 H1 TIP3W2331 4.428 -19.065 -15.115 1.00 0.00 WT1 H
+ATOM 3818 H2 TIP3W2331 5.308 -19.534 -16.257 1.00 0.00 WT1 H
+ATOM 3819 OH2 TIP3W2332 3.464 -13.654 -12.748 1.00 0.00 WT1 O
+ATOM 3820 H1 TIP3W2332 3.314 -12.734 -12.829 1.00 0.00 WT1 H
+ATOM 3821 H2 TIP3W2332 3.869 -13.891 -13.647 1.00 0.00 WT1 H
+ATOM 3822 OH2 TIP3W2333 -9.484 -3.015 -16.880 1.00 0.00 WT1 O
+ATOM 3823 H1 TIP3W2333 -9.382 -2.171 -17.244 1.00 0.00 WT1 H
+ATOM 3824 H2 TIP3W2333 -9.313 -2.842 -15.933 1.00 0.00 WT1 H
+ATOM 3825 OH2 TIP3W2335 -15.267 -17.975 -8.179 1.00 0.00 WT1 O
+ATOM 3826 H1 TIP3W2335 -14.953 -17.088 -8.452 1.00 0.00 WT1 H
+ATOM 3827 H2 TIP3W2335 -14.884 -18.104 -7.261 1.00 0.00 WT1 H
+ATOM 3828 OH2 TIP3W2336 1.001 1.085 -17.618 1.00 0.00 WT1 O
+ATOM 3829 H1 TIP3W2336 0.364 0.819 -18.279 1.00 0.00 WT1 H
+ATOM 3830 H2 TIP3W2336 0.874 2.074 -17.523 1.00 0.00 WT1 H
+ATOM 3831 OH2 TIP3W2337 -3.425 3.222 -9.440 1.00 0.00 WT1 O
+ATOM 3832 H1 TIP3W2337 -4.074 3.324 -8.739 1.00 0.00 WT1 H
+ATOM 3833 H2 TIP3W2337 -2.560 3.392 -8.981 1.00 0.00 WT1 H
+ATOM 3834 OH2 TIP3W2338 -3.781 0.553 -10.674 1.00 0.00 WT1 O
+ATOM 3835 H1 TIP3W2338 -3.289 -0.240 -10.412 1.00 0.00 WT1 H
+ATOM 3836 H2 TIP3W2338 -3.031 1.203 -10.475 1.00 0.00 WT1 H
+ATOM 3837 OH2 TIP3W2339 -5.583 -10.172 -3.997 1.00 0.00 WT1 O
+ATOM 3838 H1 TIP3W2339 -5.192 -10.822 -4.622 1.00 0.00 WT1 H
+ATOM 3839 H2 TIP3W2339 -5.957 -10.594 -3.207 1.00 0.00 WT1 H
+ATOM 3840 OH2 TIP3W2340 -11.314 -9.122 7.734 1.00 0.00 WT1 O
+ATOM 3841 H1 TIP3W2340 -11.216 -8.217 8.029 1.00 0.00 WT1 H
+ATOM 3842 H2 TIP3W2340 -11.430 -9.064 6.770 1.00 0.00 WT1 H
+ATOM 3843 OH2 TIP3W2341 -8.150 -11.039 19.277 1.00 0.00 WT1 O
+ATOM 3844 H1 TIP3W2341 -8.524 -10.944 18.362 1.00 0.00 WT1 H
+ATOM 3845 H2 TIP3W2341 -8.903 -10.754 19.830 1.00 0.00 WT1 H
+ATOM 3846 OH2 TIP3W2342 -6.757 -12.868 7.887 1.00 0.00 WT1 O
+ATOM 3847 H1 TIP3W2342 -7.024 -11.894 7.813 1.00 0.00 WT1 H
+ATOM 3848 H2 TIP3W2342 -7.178 -13.192 8.737 1.00 0.00 WT1 H
+ATOM 3849 OH2 TIP3W2343 10.505 8.406 0.642 1.00 0.00 WT1 O
+ATOM 3850 H1 TIP3W2343 9.758 7.991 0.199 1.00 0.00 WT1 H
+ATOM 3851 H2 TIP3W2343 10.992 8.707 -0.122 1.00 0.00 WT1 H
+ATOM 3852 OH2 TIP3W2344 -7.837 -21.292 23.035 1.00 0.00 WT1 O
+ATOM 3853 H1 TIP3W2344 -7.910 -22.219 23.123 1.00 0.00 WT1 H
+ATOM 3854 H2 TIP3W2344 -6.935 -21.193 22.814 1.00 0.00 WT1 H
+ATOM 3855 OH2 TIP3W2345 -9.125 -16.639 3.547 1.00 0.00 WT1 O
+ATOM 3856 H1 TIP3W2345 -8.977 -16.041 4.316 1.00 0.00 WT1 H
+ATOM 3857 H2 TIP3W2345 -9.186 -17.536 3.971 1.00 0.00 WT1 H
+ATOM 3858 OH2 TIP3W2346 2.011 -21.828 10.013 1.00 0.00 WT1 O
+ATOM 3859 H1 TIP3W2346 1.636 -20.986 10.275 1.00 0.00 WT1 H
+ATOM 3860 H2 TIP3W2346 2.531 -22.098 10.780 1.00 0.00 WT1 H
+ATOM 3861 OH2 TIP3W2351 -5.296 -13.115 -20.835 1.00 0.00 WT1 O
+ATOM 3862 H1 TIP3W2351 -5.015 -13.994 -21.122 1.00 0.00 WT1 H
+ATOM 3863 H2 TIP3W2351 -5.338 -13.162 -19.848 1.00 0.00 WT1 H
+ATOM 3864 OH2 TIP3W2352 -3.820 -8.620 -19.210 1.00 0.00 WT1 O
+ATOM 3865 H1 TIP3W2352 -3.601 -9.400 -19.737 1.00 0.00 WT1 H
+ATOM 3866 H2 TIP3W2352 -4.150 -9.005 -18.412 1.00 0.00 WT1 H
+ATOM 3867 OH2 TIP3W2354 -5.723 -1.097 -15.851 1.00 0.00 WT1 O
+ATOM 3868 H1 TIP3W2354 -5.507 -0.135 -15.923 1.00 0.00 WT1 H
+ATOM 3869 H2 TIP3W2354 -4.875 -1.546 -15.975 1.00 0.00 WT1 H
+ATOM 3870 OH2 TIP3W2355 -3.520 -15.939 -16.397 1.00 0.00 WT1 O
+ATOM 3871 H1 TIP3W2355 -4.286 -15.477 -16.005 1.00 0.00 WT1 H
+ATOM 3872 H2 TIP3W2355 -3.842 -16.115 -17.311 1.00 0.00 WT1 H
+ATOM 3873 OH2 TIP3W2357 -19.469 -20.588 -13.124 1.00 0.00 WT1 O
+ATOM 3874 H1 TIP3W2357 -19.096 -19.911 -13.671 1.00 0.00 WT1 H
+ATOM 3875 H2 TIP3W2357 -18.649 -20.824 -12.655 1.00 0.00 WT1 H
+ATOM 3876 OH2 TIP3W2358 -22.037 -16.014 -12.828 1.00 0.00 WT1 O
+ATOM 3877 H1 TIP3W2358 -21.294 -16.085 -12.178 1.00 0.00 WT1 H
+ATOM 3878 H2 TIP3W2358 -21.921 -15.124 -13.222 1.00 0.00 WT1 H
+ATOM 3879 OH2 TIP3W2359 -1.182 -9.035 -9.771 1.00 0.00 WT1 O
+ATOM 3880 H1 TIP3W2359 -0.429 -8.575 -10.103 1.00 0.00 WT1 H
+ATOM 3881 H2 TIP3W2359 -0.884 -9.810 -9.258 1.00 0.00 WT1 H
+ATOM 3882 OH2 TIP3W2360 -12.093 -7.443 4.419 1.00 0.00 WT1 O
+ATOM 3883 H1 TIP3W2360 -11.446 -8.102 4.128 1.00 0.00 WT1 H
+ATOM 3884 H2 TIP3W2360 -12.870 -7.948 4.704 1.00 0.00 WT1 H
+ATOM 3885 OH2 TIP3W2361 -11.484 -4.688 10.610 1.00 0.00 WT1 O
+ATOM 3886 H1 TIP3W2361 -10.949 -3.906 10.298 1.00 0.00 WT1 H
+ATOM 3887 H2 TIP3W2361 -12.310 -4.234 10.883 1.00 0.00 WT1 H
+ATOM 3888 OH2 TIP3W2362 -4.963 -27.444 5.825 1.00 0.00 WT1 O
+ATOM 3889 H1 TIP3W2362 -4.122 -27.820 6.130 1.00 0.00 WT1 H
+ATOM 3890 H2 TIP3W2362 -5.368 -26.884 6.587 1.00 0.00 WT1 H
+ATOM 3891 OH2 TIP3W2363 4.120 -18.997 13.922 1.00 0.00 WT1 O
+ATOM 3892 H1 TIP3W2363 4.642 -18.528 13.278 1.00 0.00 WT1 H
+ATOM 3893 H2 TIP3W2363 4.467 -19.891 13.851 1.00 0.00 WT1 H
+ATOM 3894 OH2 TIP3W2364 -2.420 1.511 12.748 1.00 0.00 WT1 O
+ATOM 3895 H1 TIP3W2364 -1.567 1.508 13.339 1.00 0.00 WT1 H
+ATOM 3896 H2 TIP3W2364 -2.962 2.312 13.056 1.00 0.00 WT1 H
+ATOM 3897 OH2 TIP3W2365 7.663 -16.151 6.331 1.00 0.00 WT1 O
+ATOM 3898 H1 TIP3W2365 7.288 -15.400 5.938 1.00 0.00 WT1 H
+ATOM 3899 H2 TIP3W2365 6.976 -16.583 6.818 1.00 0.00 WT1 H
+ATOM 3900 OH2 TIP3W2367 -4.971 -1.905 13.224 1.00 0.00 WT1 O
+ATOM 3901 H1 TIP3W2367 -5.102 -2.261 12.362 1.00 0.00 WT1 H
+ATOM 3902 H2 TIP3W2367 -4.750 -0.951 13.104 1.00 0.00 WT1 H
+ATOM 3903 OH2 TIP3W2368 3.256 -16.761 18.893 1.00 0.00 WT1 O
+ATOM 3904 H1 TIP3W2368 2.624 -17.073 18.293 1.00 0.00 WT1 H
+ATOM 3905 H2 TIP3W2368 2.879 -15.848 19.072 1.00 0.00 WT1 H
+ATOM 3906 OH2 TIP3W2376 -5.650 -6.368 -19.243 1.00 0.00 WT1 O
+ATOM 3907 H1 TIP3W2376 -6.034 -6.892 -18.578 1.00 0.00 WT1 H
+ATOM 3908 H2 TIP3W2376 -4.855 -6.883 -19.510 1.00 0.00 WT1 H
+ATOM 3909 OH2 TIP3W2377 -5.239 -25.513 -10.484 1.00 0.00 WT1 O
+ATOM 3910 H1 TIP3W2377 -5.551 -25.126 -11.263 1.00 0.00 WT1 H
+ATOM 3911 H2 TIP3W2377 -4.898 -26.360 -10.808 1.00 0.00 WT1 H
+ATOM 3912 OH2 TIP3W2380 -6.775 -17.118 -15.994 1.00 0.00 WT1 O
+ATOM 3913 H1 TIP3W2380 -6.972 -17.438 -16.885 1.00 0.00 WT1 H
+ATOM 3914 H2 TIP3W2380 -6.562 -16.209 -16.207 1.00 0.00 WT1 H
+ATOM 3915 OH2 TIP3W2381 -3.652 -11.567 10.174 1.00 0.00 WT1 O
+ATOM 3916 H1 TIP3W2381 -3.815 -12.501 10.304 1.00 0.00 WT1 H
+ATOM 3917 H2 TIP3W2381 -3.674 -11.139 11.048 1.00 0.00 WT1 H
+ATOM 3918 OH2 TIP3W2383 -12.032 -0.631 6.774 1.00 0.00 WT1 O
+ATOM 3919 H1 TIP3W2383 -11.855 -1.543 6.449 1.00 0.00 WT1 H
+ATOM 3920 H2 TIP3W2383 -11.608 -0.058 6.129 1.00 0.00 WT1 H
+ATOM 3921 OH2 TIP3W2384 -7.108 -7.365 18.177 1.00 0.00 WT1 O
+ATOM 3922 H1 TIP3W2384 -6.660 -7.911 18.840 1.00 0.00 WT1 H
+ATOM 3923 H2 TIP3W2384 -6.433 -7.379 17.469 1.00 0.00 WT1 H
+ATOM 3924 OH2 TIP3W2385 -9.393 2.510 7.004 1.00 0.00 WT1 O
+ATOM 3925 H1 TIP3W2385 -9.374 1.746 6.479 1.00 0.00 WT1 H
+ATOM 3926 H2 TIP3W2385 -9.184 3.175 6.365 1.00 0.00 WT1 H
+ATOM 3927 OH2 TIP3W2392 -8.468 -0.698 22.176 1.00 0.00 WT1 O
+ATOM 3928 H1 TIP3W2392 -7.926 0.059 22.478 1.00 0.00 WT1 H
+ATOM 3929 H2 TIP3W2392 -7.754 -1.276 21.796 1.00 0.00 WT1 H
+ATOM 3930 OH2 TIP3W2395 -17.538 14.672 -22.422 1.00 0.00 WT1 O
+ATOM 3931 H1 TIP3W2395 -16.620 14.725 -22.102 1.00 0.00 WT1 H
+ATOM 3932 H2 TIP3W2395 -17.694 13.733 -22.471 1.00 0.00 WT1 H
+ATOM 3933 OH2 TIP3W2397 -15.292 -2.071 -18.762 1.00 0.00 WT1 O
+ATOM 3934 H1 TIP3W2397 -15.044 -1.345 -18.280 1.00 0.00 WT1 H
+ATOM 3935 H2 TIP3W2397 -14.466 -2.593 -18.779 1.00 0.00 WT1 H
+ATOM 3936 OH2 TIP3W2399 -11.032 5.918 -6.889 1.00 0.00 WT1 O
+ATOM 3937 H1 TIP3W2399 -10.638 5.525 -6.039 1.00 0.00 WT1 H
+ATOM 3938 H2 TIP3W2399 -10.194 6.262 -7.312 1.00 0.00 WT1 H
+ATOM 3939 OH2 TIP3W2400 -8.220 5.821 -7.233 1.00 0.00 WT1 O
+ATOM 3940 H1 TIP3W2400 -7.354 5.614 -7.524 1.00 0.00 WT1 H
+ATOM 3941 H2 TIP3W2400 -8.510 4.979 -6.846 1.00 0.00 WT1 H
+ATOM 3942 OH2 TIP3W2402 -11.968 -10.206 2.825 1.00 0.00 WT1 O
+ATOM 3943 H1 TIP3W2402 -12.637 -10.177 3.555 1.00 0.00 WT1 H
+ATOM 3944 H2 TIP3W2402 -11.643 -11.092 2.942 1.00 0.00 WT1 H
+ATOM 3945 OH2 TIP3W2404 -4.199 3.254 11.074 1.00 0.00 WT1 O
+ATOM 3946 H1 TIP3W2404 -4.767 2.592 11.518 1.00 0.00 WT1 H
+ATOM 3947 H2 TIP3W2404 -4.358 3.080 10.157 1.00 0.00 WT1 H
+ATOM 3948 OH2 TIP3W2405 -17.849 -5.509 6.059 1.00 0.00 WT1 O
+ATOM 3949 H1 TIP3W2405 -18.596 -4.895 6.057 1.00 0.00 WT1 H
+ATOM 3950 H2 TIP3W2405 -17.069 -4.940 5.915 1.00 0.00 WT1 H
+ATOM 3951 OH2 TIP3W2406 -4.087 -14.411 10.865 1.00 0.00 WT1 O
+ATOM 3952 H1 TIP3W2406 -3.545 -14.878 11.554 1.00 0.00 WT1 H
+ATOM 3953 H2 TIP3W2406 -4.050 -15.018 10.125 1.00 0.00 WT1 H
+ATOM 3954 OH2 TIP3W2407 5.593 -12.941 13.428 1.00 0.00 WT1 O
+ATOM 3955 H1 TIP3W2407 4.831 -13.276 13.073 1.00 0.00 WT1 H
+ATOM 3956 H2 TIP3W2407 5.883 -12.242 12.748 1.00 0.00 WT1 H
+ATOM 3957 OH2 TIP3W2416 9.500 4.237 -12.155 1.00 0.00 WT1 O
+ATOM 3958 H1 TIP3W2416 9.114 3.481 -11.615 1.00 0.00 WT1 H
+ATOM 3959 H2 TIP3W2416 8.807 4.360 -12.855 1.00 0.00 WT1 H
+ATOM 3960 OH2 TIP3W2417 -9.110 12.413 -17.265 1.00 0.00 WT1 O
+ATOM 3961 H1 TIP3W2417 -8.734 11.724 -16.726 1.00 0.00 WT1 H
+ATOM 3962 H2 TIP3W2417 -8.659 12.376 -18.112 1.00 0.00 WT1 H
+ATOM 3963 OH2 TIP3W2419 -3.441 -0.087 -21.145 1.00 0.00 WT1 O
+ATOM 3964 H1 TIP3W2419 -3.598 -1.020 -21.212 1.00 0.00 WT1 H
+ATOM 3965 H2 TIP3W2419 -4.334 0.262 -20.861 1.00 0.00 WT1 H
+ATOM 3966 OH2 TIP3W2420 6.964 3.049 -0.386 1.00 0.00 WT1 O
+ATOM 3967 H1 TIP3W2420 6.159 3.291 -0.826 1.00 0.00 WT1 H
+ATOM 3968 H2 TIP3W2420 7.358 3.943 -0.116 1.00 0.00 WT1 H
+ATOM 3969 OH2 TIP3W2421 -12.949 -0.704 -10.833 1.00 0.00 WT1 O
+ATOM 3970 H1 TIP3W2421 -13.035 0.223 -11.163 1.00 0.00 WT1 H
+ATOM 3971 H2 TIP3W2421 -12.209 -0.601 -10.167 1.00 0.00 WT1 H
+ATOM 3972 OH2 TIP3W2423 -9.828 9.115 -12.226 1.00 0.00 WT1 O
+ATOM 3973 H1 TIP3W2423 -9.094 9.473 -12.799 1.00 0.00 WT1 H
+ATOM 3974 H2 TIP3W2423 -10.431 9.883 -12.319 1.00 0.00 WT1 H
+ATOM 3975 OH2 TIP3W2424 4.859 4.126 12.925 1.00 0.00 WT1 O
+ATOM 3976 H1 TIP3W2424 4.641 4.918 13.409 1.00 0.00 WT1 H
+ATOM 3977 H2 TIP3W2424 4.138 3.512 13.251 1.00 0.00 WT1 H
+ATOM 3978 OH2 TIP3W2425 -9.191 11.533 6.042 1.00 0.00 WT1 O
+ATOM 3979 H1 TIP3W2425 -9.192 10.923 6.781 1.00 0.00 WT1 H
+ATOM 3980 H2 TIP3W2425 -9.579 10.994 5.279 1.00 0.00 WT1 H
+ATOM 3981 OH2 TIP3W2427 9.206 -7.339 14.207 1.00 0.00 WT1 O
+ATOM 3982 H1 TIP3W2427 9.631 -6.732 14.803 1.00 0.00 WT1 H
+ATOM 3983 H2 TIP3W2427 9.550 -8.191 14.552 1.00 0.00 WT1 H
+ATOM 3984 OH2 TIP3W2428 -0.208 12.809 15.798 1.00 0.00 WT1 O
+ATOM 3985 H1 TIP3W2428 -0.125 11.892 15.529 1.00 0.00 WT1 H
+ATOM 3986 H2 TIP3W2428 0.741 13.129 15.725 1.00 0.00 WT1 H
+ATOM 3987 OH2 TIP3W2430 -17.355 0.964 19.220 1.00 0.00 WT1 O
+ATOM 3988 H1 TIP3W2430 -16.572 0.366 19.468 1.00 0.00 WT1 H
+ATOM 3989 H2 TIP3W2430 -17.804 0.400 18.523 1.00 0.00 WT1 H
+ATOM 3990 OH2 TIP3W2431 -9.471 22.606 19.517 1.00 0.00 WT1 O
+ATOM 3991 H1 TIP3W2431 -8.831 22.594 18.847 1.00 0.00 WT1 H
+ATOM 3992 H2 TIP3W2431 -8.945 22.170 20.211 1.00 0.00 WT1 H
+ATOM 3993 OH2 TIP3W2436 -6.167 -1.028 -18.767 1.00 0.00 WT1 O
+ATOM 3994 H1 TIP3W2436 -6.083 -0.646 -17.910 1.00 0.00 WT1 H
+ATOM 3995 H2 TIP3W2436 -6.249 -1.983 -18.620 1.00 0.00 WT1 H
+ATOM 3996 OH2 TIP3W2440 -5.370 11.553 -13.815 1.00 0.00 WT1 O
+ATOM 3997 H1 TIP3W2440 -4.440 11.143 -13.906 1.00 0.00 WT1 H
+ATOM 3998 H2 TIP3W2440 -5.269 12.409 -14.229 1.00 0.00 WT1 H
+ATOM 3999 OH2 TIP3W2441 -11.675 13.073 -15.699 1.00 0.00 WT1 O
+ATOM 4000 H1 TIP3W2441 -10.799 13.050 -16.143 1.00 0.00 WT1 H
+ATOM 4001 H2 TIP3W2441 -12.234 12.565 -16.292 1.00 0.00 WT1 H
+ATOM 4002 OH2 TIP3W2443 -7.857 4.488 2.218 1.00 0.00 WT1 O
+ATOM 4003 H1 TIP3W2443 -7.808 5.328 1.750 1.00 0.00 WT1 H
+ATOM 4004 H2 TIP3W2443 -8.757 4.472 2.522 1.00 0.00 WT1 H
+ATOM 4005 OH2 TIP3W2446 -0.368 5.629 20.298 1.00 0.00 WT1 O
+ATOM 4006 H1 TIP3W2446 0.061 4.992 20.923 1.00 0.00 WT1 H
+ATOM 4007 H2 TIP3W2446 0.165 5.398 19.446 1.00 0.00 WT1 H
+ATOM 4008 OH2 TIP3W2447 -2.920 20.898 -8.907 1.00 0.00 WT1 O
+ATOM 4009 H1 TIP3W2447 -2.094 20.892 -8.442 1.00 0.00 WT1 H
+ATOM 4010 H2 TIP3W2447 -3.103 21.842 -9.087 1.00 0.00 WT1 H
+ATOM 4011 OH2 TIP3W2448 4.768 11.245 20.035 1.00 0.00 WT1 O
+ATOM 4012 H1 TIP3W2448 4.511 11.313 20.968 1.00 0.00 WT1 H
+ATOM 4013 H2 TIP3W2448 4.293 12.019 19.630 1.00 0.00 WT1 H
+ATOM 4014 OH2 TIP3W2449 -6.204 -12.490 14.219 1.00 0.00 WT1 O
+ATOM 4015 H1 TIP3W2449 -6.399 -13.343 13.761 1.00 0.00 WT1 H
+ATOM 4016 H2 TIP3W2449 -6.137 -12.728 15.135 1.00 0.00 WT1 H
+ATOM 4017 OH2 TIP3W2450 -2.099 4.202 15.113 1.00 0.00 WT1 O
+ATOM 4018 H1 TIP3W2450 -2.044 3.952 14.144 1.00 0.00 WT1 H
+ATOM 4019 H2 TIP3W2450 -2.665 4.999 15.034 1.00 0.00 WT1 H
+ATOM 4020 OH2 TIP3W2452 -1.519 2.810 22.649 1.00 0.00 WT1 O
+ATOM 4021 H1 TIP3W2452 -1.760 2.407 21.818 1.00 0.00 WT1 H
+ATOM 4022 H2 TIP3W2452 -1.854 3.760 22.538 1.00 0.00 WT1 H
+ATOM 4023 OH2 TIP3W2453 9.762 -13.662 20.899 1.00 0.00 WT1 O
+ATOM 4024 H1 TIP3W2453 10.008 -14.434 21.407 1.00 0.00 WT1 H
+ATOM 4025 H2 TIP3W2453 9.565 -13.080 21.582 1.00 0.00 WT1 H
+ATOM 4026 OH2 TIP3W2454 -5.762 8.525 21.594 1.00 0.00 WT1 O
+ATOM 4027 H1 TIP3W2454 -5.074 8.611 22.248 1.00 0.00 WT1 H
+ATOM 4028 H2 TIP3W2454 -5.355 8.114 20.805 1.00 0.00 WT1 H
+ATOM 4029 OH2 TIP3W2458 2.367 4.661 -20.279 1.00 0.00 WT1 O
+ATOM 4030 H1 TIP3W2458 3.029 4.560 -20.992 1.00 0.00 WT1 H
+ATOM 4031 H2 TIP3W2458 1.559 4.109 -20.627 1.00 0.00 WT1 H
+ATOM 4032 OH2 TIP3W2459 -3.323 15.246 -14.049 1.00 0.00 WT1 O
+ATOM 4033 H1 TIP3W2459 -3.830 14.929 -13.299 1.00 0.00 WT1 H
+ATOM 4034 H2 TIP3W2459 -3.216 16.215 -13.867 1.00 0.00 WT1 H
+ATOM 4035 OH2 TIP3W2460 0.806 3.742 -17.873 1.00 0.00 WT1 O
+ATOM 4036 H1 TIP3W2460 -0.132 3.846 -18.160 1.00 0.00 WT1 H
+ATOM 4037 H2 TIP3W2460 1.187 4.189 -18.637 1.00 0.00 WT1 H
+ATOM 4038 OH2 TIP3W2461 -1.116 24.881 -21.940 1.00 0.00 WT1 O
+ATOM 4039 H1 TIP3W2461 -1.598 24.627 -22.726 1.00 0.00 WT1 H
+ATOM 4040 H2 TIP3W2461 -0.520 25.562 -22.377 1.00 0.00 WT1 H
+ATOM 4041 OH2 TIP3W2462 -21.485 12.270 -0.012 1.00 0.00 WT1 O
+ATOM 4042 H1 TIP3W2462 -20.746 12.144 0.577 1.00 0.00 WT1 H
+ATOM 4043 H2 TIP3W2462 -21.618 13.262 0.051 1.00 0.00 WT1 H
+ATOM 4044 OH2 TIP3W2463 -12.949 3.924 -3.590 1.00 0.00 WT1 O
+ATOM 4045 H1 TIP3W2463 -12.118 3.779 -3.211 1.00 0.00 WT1 H
+ATOM 4046 H2 TIP3W2463 -12.934 3.273 -4.312 1.00 0.00 WT1 H
+ATOM 4047 OH2 TIP3W2464 -9.012 -0.913 2.595 1.00 0.00 WT1 O
+ATOM 4048 H1 TIP3W2464 -8.530 -0.789 1.806 1.00 0.00 WT1 H
+ATOM 4049 H2 TIP3W2464 -8.337 -1.364 3.120 1.00 0.00 WT1 H
+ATOM 4050 OH2 TIP3W2466 0.849 4.592 15.589 1.00 0.00 WT1 O
+ATOM 4051 H1 TIP3W2466 -0.015 4.387 15.247 1.00 0.00 WT1 H
+ATOM 4052 H2 TIP3W2466 1.358 4.392 14.824 1.00 0.00 WT1 H
+ATOM 4053 OH2 TIP3W2467 -6.985 5.509 10.655 1.00 0.00 WT1 O
+ATOM 4054 H1 TIP3W2467 -6.939 5.458 9.698 1.00 0.00 WT1 H
+ATOM 4055 H2 TIP3W2467 -6.623 6.403 10.800 1.00 0.00 WT1 H
+ATOM 4056 OH2 TIP3W2468 -20.429 26.547 7.506 1.00 0.00 WT1 O
+ATOM 4057 H1 TIP3W2468 -21.215 26.852 7.961 1.00 0.00 WT1 H
+ATOM 4058 H2 TIP3W2468 -19.637 26.865 8.041 1.00 0.00 WT1 H
+ATOM 4059 OH2 TIP3W2471 -20.276 6.845 19.864 1.00 0.00 WT1 O
+ATOM 4060 H1 TIP3W2471 -19.930 6.135 20.407 1.00 0.00 WT1 H
+ATOM 4061 H2 TIP3W2471 -21.161 6.559 19.592 1.00 0.00 WT1 H
+ATOM 4062 OH2 TIP3W2473 -2.922 -5.500 18.569 1.00 0.00 WT1 O
+ATOM 4063 H1 TIP3W2473 -3.015 -5.449 17.636 1.00 0.00 WT1 H
+ATOM 4064 H2 TIP3W2473 -2.874 -6.441 18.785 1.00 0.00 WT1 H
+ATOM 4065 OH2 TIP3W2479 -9.905 1.287 -0.182 1.00 0.00 WT1 O
+ATOM 4066 H1 TIP3W2479 -10.072 1.084 -1.117 1.00 0.00 WT1 H
+ATOM 4067 H2 TIP3W2479 -10.549 0.720 0.248 1.00 0.00 WT1 H
+ATOM 4068 OH2 TIP3W2480 -4.848 11.608 -4.949 1.00 0.00 WT1 O
+ATOM 4069 H1 TIP3W2480 -4.709 11.539 -5.886 1.00 0.00 WT1 H
+ATOM 4070 H2 TIP3W2480 -3.963 11.875 -4.579 1.00 0.00 WT1 H
+ATOM 4071 OH2 TIP3W2482 -14.613 5.050 -22.356 1.00 0.00 WT1 O
+ATOM 4072 H1 TIP3W2482 -14.631 5.554 -21.494 1.00 0.00 WT1 H
+ATOM 4073 H2 TIP3W2482 -15.451 5.325 -22.803 1.00 0.00 WT1 H
+ATOM 4074 OH2 TIP3W2483 -7.749 12.850 -11.487 1.00 0.00 WT1 O
+ATOM 4075 H1 TIP3W2483 -8.555 12.975 -10.977 1.00 0.00 WT1 H
+ATOM 4076 H2 TIP3W2483 -8.166 12.704 -12.368 1.00 0.00 WT1 H
+ATOM 4077 OH2 TIP3W2484 -15.178 7.759 -3.520 1.00 0.00 WT1 O
+ATOM 4078 H1 TIP3W2484 -14.466 7.130 -3.925 1.00 0.00 WT1 H
+ATOM 4079 H2 TIP3W2484 -15.043 8.546 -4.031 1.00 0.00 WT1 H
+ATOM 4080 OH2 TIP3W2485 1.731 2.383 19.287 1.00 0.00 WT1 O
+ATOM 4081 H1 TIP3W2485 2.067 1.825 18.596 1.00 0.00 WT1 H
+ATOM 4082 H2 TIP3W2485 2.147 2.092 20.060 1.00 0.00 WT1 H
+ATOM 4083 OH2 TIP3W2486 0.917 13.159 9.992 1.00 0.00 WT1 O
+ATOM 4084 H1 TIP3W2486 1.429 12.422 10.061 1.00 0.00 WT1 H
+ATOM 4085 H2 TIP3W2486 1.525 13.780 9.650 1.00 0.00 WT1 H
+ATOM 4086 OH2 TIP3W2487 -10.717 13.822 5.311 1.00 0.00 WT1 O
+ATOM 4087 H1 TIP3W2487 -11.484 13.312 5.438 1.00 0.00 WT1 H
+ATOM 4088 H2 TIP3W2487 -9.967 13.241 5.254 1.00 0.00 WT1 H
+ATOM 4089 OH2 TIP3W2488 -9.702 6.725 10.010 1.00 0.00 WT1 O
+ATOM 4090 H1 TIP3W2488 -10.200 5.999 9.529 1.00 0.00 WT1 H
+ATOM 4091 H2 TIP3W2488 -8.957 6.368 10.463 1.00 0.00 WT1 H
+ATOM 4092 OH2 TIP3W2489 -7.638 10.423 10.824 1.00 0.00 WT1 O
+ATOM 4093 H1 TIP3W2489 -8.050 10.503 11.693 1.00 0.00 WT1 H
+ATOM 4094 H2 TIP3W2489 -7.374 9.486 10.883 1.00 0.00 WT1 H
+ATOM 4095 OH2 TIP3W2491 -5.483 20.363 20.091 1.00 0.00 WT1 O
+ATOM 4096 H1 TIP3W2491 -4.698 20.008 19.620 1.00 0.00 WT1 H
+ATOM 4097 H2 TIP3W2491 -6.107 19.611 20.102 1.00 0.00 WT1 H
+ATOM 4098 OH2 TIP3W2492 -3.820 6.669 14.584 1.00 0.00 WT1 O
+ATOM 4099 H1 TIP3W2492 -4.768 6.480 14.787 1.00 0.00 WT1 H
+ATOM 4100 H2 TIP3W2492 -3.628 7.390 15.159 1.00 0.00 WT1 H
+ATOM 4101 OH2 TIP3W2494 4.069 18.082 1.955 1.00 0.00 WT1 O
+ATOM 4102 H1 TIP3W2494 4.428 17.329 2.580 1.00 0.00 WT1 H
+ATOM 4103 H2 TIP3W2494 4.058 18.889 2.493 1.00 0.00 WT1 H
+ATOM 4104 OH2 TIP3W2499 -0.635 19.455 -14.637 1.00 0.00 WT1 O
+ATOM 4105 H1 TIP3W2499 -1.273 20.179 -14.707 1.00 0.00 WT1 H
+ATOM 4106 H2 TIP3W2499 0.042 19.784 -14.007 1.00 0.00 WT1 H
+ATOM 4107 OH2 TIP3W2500 -20.430 9.414 -7.382 1.00 0.00 WT1 O
+ATOM 4108 H1 TIP3W2500 -20.916 9.410 -6.525 1.00 0.00 WT1 H
+ATOM 4109 H2 TIP3W2500 -19.673 8.788 -7.266 1.00 0.00 WT1 H
+ATOM 4110 OH2 TIP3W2501 12.155 6.272 -0.203 1.00 0.00 WT1 O
+ATOM 4111 H1 TIP3W2501 12.251 6.409 -1.144 1.00 0.00 WT1 H
+ATOM 4112 H2 TIP3W2501 11.262 6.585 -0.016 1.00 0.00 WT1 H
+ATOM 4113 OH2 TIP3W2503 -10.275 14.785 -11.056 1.00 0.00 WT1 O
+ATOM 4114 H1 TIP3W2503 -10.300 13.913 -10.752 1.00 0.00 WT1 H
+ATOM 4115 H2 TIP3W2503 -9.834 15.291 -10.296 1.00 0.00 WT1 H
+ATOM 4116 OH2 TIP3W2504 7.241 9.749 12.426 1.00 0.00 WT1 O
+ATOM 4117 H1 TIP3W2504 6.854 9.092 11.873 1.00 0.00 WT1 H
+ATOM 4118 H2 TIP3W2504 8.165 9.675 12.119 1.00 0.00 WT1 H
+ATOM 4119 OH2 TIP3W2507 6.556 1.365 8.458 1.00 0.00 WT1 O
+ATOM 4120 H1 TIP3W2507 6.286 0.706 9.081 1.00 0.00 WT1 H
+ATOM 4121 H2 TIP3W2507 5.862 1.359 7.804 1.00 0.00 WT1 H
+ATOM 4122 OH2 TIP3W2508 -11.382 -2.274 -3.750 1.00 0.00 WT1 O
+ATOM 4123 H1 TIP3W2508 -11.364 -1.330 -3.461 1.00 0.00 WT1 H
+ATOM 4124 H2 TIP3W2508 -11.359 -2.739 -2.886 1.00 0.00 WT1 H
+ATOM 4125 OH2 TIP3W2509 15.315 11.625 5.097 1.00 0.00 WT1 O
+ATOM 4126 H1 TIP3W2509 14.537 11.907 4.568 1.00 0.00 WT1 H
+ATOM 4127 H2 TIP3W2509 16.068 12.216 4.942 1.00 0.00 WT1 H
+ATOM 4128 OH2 TIP3W2510 -7.516 24.284 15.248 1.00 0.00 WT1 O
+ATOM 4129 H1 TIP3W2510 -7.396 23.377 15.420 1.00 0.00 WT1 H
+ATOM 4130 H2 TIP3W2510 -6.629 24.612 15.141 1.00 0.00 WT1 H
+ATOM 4131 OH2 TIP3W2511 -13.532 10.715 7.687 1.00 0.00 WT1 O
+ATOM 4132 H1 TIP3W2511 -13.383 11.418 6.940 1.00 0.00 WT1 H
+ATOM 4133 H2 TIP3W2511 -14.119 10.135 7.277 1.00 0.00 WT1 H
+ATOM 4134 OH2 TIP3W2512 -5.759 11.142 8.736 1.00 0.00 WT1 O
+ATOM 4135 H1 TIP3W2512 -6.249 11.828 8.311 1.00 0.00 WT1 H
+ATOM 4136 H2 TIP3W2512 -6.385 10.841 9.383 1.00 0.00 WT1 H
+ATOM 4137 OH2 TIP3W2513 -1.103 -5.735 20.684 1.00 0.00 WT1 O
+ATOM 4138 H1 TIP3W2513 -1.899 -5.660 20.136 1.00 0.00 WT1 H
+ATOM 4139 H2 TIP3W2513 -0.929 -4.788 20.960 1.00 0.00 WT1 H
+ATOM 4140 OH2 TIP3W2514 -5.694 13.248 20.745 1.00 0.00 WT1 O
+ATOM 4141 H1 TIP3W2514 -6.096 13.356 21.665 1.00 0.00 WT1 H
+ATOM 4142 H2 TIP3W2514 -4.918 13.868 20.873 1.00 0.00 WT1 H
+ATOM 4143 OH2 TIP3W2515 -6.368 10.413 14.428 1.00 0.00 WT1 O
+ATOM 4144 H1 TIP3W2515 -5.792 10.934 13.870 1.00 0.00 WT1 H
+ATOM 4145 H2 TIP3W2515 -6.072 10.610 15.357 1.00 0.00 WT1 H
+ATOM 4146 OH2 TIP3W2519 -16.243 8.795 -15.480 1.00 0.00 WT1 O
+ATOM 4147 H1 TIP3W2519 -16.894 9.274 -14.928 1.00 0.00 WT1 H
+ATOM 4148 H2 TIP3W2519 -15.381 8.786 -14.985 1.00 0.00 WT1 H
+ATOM 4149 OH2 TIP3W2521 -17.593 13.391 -8.556 1.00 0.00 WT1 O
+ATOM 4150 H1 TIP3W2521 -17.441 14.253 -8.193 1.00 0.00 WT1 H
+ATOM 4151 H2 TIP3W2521 -18.520 13.135 -8.264 1.00 0.00 WT1 H
+ATOM 4152 OH2 TIP3W2522 8.277 24.616 -21.580 1.00 0.00 WT1 O
+ATOM 4153 H1 TIP3W2522 8.314 25.594 -21.469 1.00 0.00 WT1 H
+ATOM 4154 H2 TIP3W2522 7.531 24.572 -22.203 1.00 0.00 WT1 H
+ATOM 4155 OH2 TIP3W2523 -7.148 9.520 -13.680 1.00 0.00 WT1 O
+ATOM 4156 H1 TIP3W2523 -7.188 8.982 -14.429 1.00 0.00 WT1 H
+ATOM 4157 H2 TIP3W2523 -6.456 10.209 -13.918 1.00 0.00 WT1 H
+ATOM 4158 OH2 TIP3W2525 -19.067 20.728 -20.434 1.00 0.00 WT1 O
+ATOM 4159 H1 TIP3W2525 -19.596 21.409 -20.907 1.00 0.00 WT1 H
+ATOM 4160 H2 TIP3W2525 -18.957 20.038 -21.120 1.00 0.00 WT1 H
+ATOM 4161 OH2 TIP3W2526 -9.550 16.107 -13.305 1.00 0.00 WT1 O
+ATOM 4162 H1 TIP3W2526 -8.674 16.420 -13.074 1.00 0.00 WT1 H
+ATOM 4163 H2 TIP3W2526 -9.768 15.631 -12.457 1.00 0.00 WT1 H
+ATOM 4164 OH2 TIP3W2527 3.421 22.589 -6.076 1.00 0.00 WT1 O
+ATOM 4165 H1 TIP3W2527 3.066 23.502 -6.076 1.00 0.00 WT1 H
+ATOM 4166 H2 TIP3W2527 4.279 22.651 -5.548 1.00 0.00 WT1 H
+ATOM 4167 OH2 TIP3W2528 -1.069 8.592 -9.879 1.00 0.00 WT1 O
+ATOM 4168 H1 TIP3W2528 -0.904 9.219 -10.560 1.00 0.00 WT1 H
+ATOM 4169 H2 TIP3W2528 -1.083 7.800 -10.362 1.00 0.00 WT1 H
+ATOM 4170 OH2 TIP3W2529 -13.328 19.792 -9.550 1.00 0.00 WT1 O
+ATOM 4171 H1 TIP3W2529 -12.428 19.868 -9.860 1.00 0.00 WT1 H
+ATOM 4172 H2 TIP3W2529 -13.202 19.569 -8.593 1.00 0.00 WT1 H
+ATOM 4173 OH2 TIP3W2531 4.923 15.476 12.591 1.00 0.00 WT1 O
+ATOM 4174 H1 TIP3W2531 5.278 15.269 13.409 1.00 0.00 WT1 H
+ATOM 4175 H2 TIP3W2531 4.596 14.644 12.311 1.00 0.00 WT1 H
+ATOM 4176 OH2 TIP3W2532 -10.588 26.758 21.317 1.00 0.00 WT1 O
+ATOM 4177 H1 TIP3W2532 -11.045 27.461 21.934 1.00 0.00 WT1 H
+ATOM 4178 H2 TIP3W2532 -10.634 27.236 20.438 1.00 0.00 WT1 H
+ATOM 4179 OH2 TIP3W2533 -6.485 22.942 11.585 1.00 0.00 WT1 O
+ATOM 4180 H1 TIP3W2533 -6.689 23.851 11.971 1.00 0.00 WT1 H
+ATOM 4181 H2 TIP3W2533 -7.136 22.382 11.956 1.00 0.00 WT1 H
+ATOM 4182 OH2 TIP3W2539 -13.844 22.100 -22.240 1.00 0.00 WT1 O
+ATOM 4183 H1 TIP3W2539 -14.063 22.550 -21.436 1.00 0.00 WT1 H
+ATOM 4184 H2 TIP3W2539 -12.912 22.071 -22.148 1.00 0.00 WT1 H
+ATOM 4185 OH2 TIP3W2540 -11.049 12.356 -21.080 1.00 0.00 WT1 O
+ATOM 4186 H1 TIP3W2540 -11.637 12.745 -21.714 1.00 0.00 WT1 H
+ATOM 4187 H2 TIP3W2540 -10.239 12.476 -21.501 1.00 0.00 WT1 H
+ATOM 4188 OH2 TIP3W2541 -14.290 2.386 -17.386 1.00 0.00 WT1 O
+ATOM 4189 H1 TIP3W2541 -14.958 2.295 -18.080 1.00 0.00 WT1 H
+ATOM 4190 H2 TIP3W2541 -13.674 3.080 -17.707 1.00 0.00 WT1 H
+ATOM 4191 OH2 TIP3W2544 -7.371 14.117 -3.584 1.00 0.00 WT1 O
+ATOM 4192 H1 TIP3W2544 -6.455 13.956 -3.829 1.00 0.00 WT1 H
+ATOM 4193 H2 TIP3W2544 -7.780 14.593 -4.260 1.00 0.00 WT1 H
+ATOM 4194 OH2 TIP3W2545 2.831 18.063 -7.366 1.00 0.00 WT1 O
+ATOM 4195 H1 TIP3W2545 3.044 18.940 -7.762 1.00 0.00 WT1 H
+ATOM 4196 H2 TIP3W2545 2.289 18.224 -6.572 1.00 0.00 WT1 H
+ATOM 4197 OH2 TIP3W2547 8.027 19.650 -16.174 1.00 0.00 WT1 O
+ATOM 4198 H1 TIP3W2547 7.768 20.016 -15.257 1.00 0.00 WT1 H
+ATOM 4199 H2 TIP3W2547 7.338 19.969 -16.752 1.00 0.00 WT1 H
+ATOM 4200 OH2 TIP3W2548 -9.930 22.681 -4.857 1.00 0.00 WT1 O
+ATOM 4201 H1 TIP3W2548 -10.455 23.221 -4.199 1.00 0.00 WT1 H
+ATOM 4202 H2 TIP3W2548 -10.461 21.831 -5.107 1.00 0.00 WT1 H
+ATOM 4203 OH2 TIP3W2549 -4.887 24.240 2.785 1.00 0.00 WT1 O
+ATOM 4204 H1 TIP3W2549 -4.468 23.516 3.282 1.00 0.00 WT1 H
+ATOM 4205 H2 TIP3W2549 -5.151 24.805 3.479 1.00 0.00 WT1 H
+ATOM 4206 OH2 TIP3W2550 0.412 23.820 8.087 1.00 0.00 WT1 O
+ATOM 4207 H1 TIP3W2550 1.000 23.125 7.704 1.00 0.00 WT1 H
+ATOM 4208 H2 TIP3W2550 0.374 23.664 9.054 1.00 0.00 WT1 H
+ATOM 4209 OH2 TIP3W2551 0.726 15.597 4.185 1.00 0.00 WT1 O
+ATOM 4210 H1 TIP3W2551 1.289 14.751 4.118 1.00 0.00 WT1 H
+ATOM 4211 H2 TIP3W2551 0.873 15.960 5.106 1.00 0.00 WT1 H
+ATOM 4212 OH2 TIP3W2552 -13.389 18.243 14.756 1.00 0.00 WT1 O
+ATOM 4213 H1 TIP3W2552 -12.939 18.617 15.447 1.00 0.00 WT1 H
+ATOM 4214 H2 TIP3W2552 -14.072 17.631 15.164 1.00 0.00 WT1 H
+ATOM 4215 OH2 TIP3W2553 3.018 20.353 3.286 1.00 0.00 WT1 O
+ATOM 4216 H1 TIP3W2553 2.427 21.094 3.020 1.00 0.00 WT1 H
+ATOM 4217 H2 TIP3W2553 2.520 19.841 3.922 1.00 0.00 WT1 H
+ATOM 4218 OH2 TIP3W2554 -11.255 27.960 11.707 1.00 0.00 WT1 O
+ATOM 4219 H1 TIP3W2554 -10.544 28.346 12.275 1.00 0.00 WT1 H
+ATOM 4220 H2 TIP3W2554 -11.311 27.083 12.111 1.00 0.00 WT1 H
+ATOM 4221 OH2 TIP3W2556 -8.232 27.556 22.810 1.00 0.00 WT1 O
+ATOM 4222 H1 TIP3W2556 -8.990 27.198 22.463 1.00 0.00 WT1 H
+ATOM 4223 H2 TIP3W2556 -7.776 28.028 22.115 1.00 0.00 WT1 H
+ATOM 4224 OH2 TIP3W2558 2.009 23.842 21.040 1.00 0.00 WT1 O
+ATOM 4225 H1 TIP3W2558 1.681 23.473 21.830 1.00 0.00 WT1 H
+ATOM 4226 H2 TIP3W2558 1.319 23.465 20.418 1.00 0.00 WT1 H
+ATOM 4227 OH2 TIP3W2562 0.406 11.432 -22.646 1.00 0.00 WT1 O
+ATOM 4228 H1 TIP3W2562 0.096 12.347 -22.996 1.00 0.00 WT1 H
+ATOM 4229 H2 TIP3W2562 0.836 11.667 -21.816 1.00 0.00 WT1 H
+ATOM 4230 OH2 TIP3W2563 -4.436 9.872 -19.151 1.00 0.00 WT1 O
+ATOM 4231 H1 TIP3W2563 -4.753 9.163 -19.694 1.00 0.00 WT1 H
+ATOM 4232 H2 TIP3W2563 -5.282 10.385 -18.997 1.00 0.00 WT1 H
+ATOM 4233 OH2 TIP3W2564 -5.276 21.699 -19.232 1.00 0.00 WT1 O
+ATOM 4234 H1 TIP3W2564 -5.748 21.609 -20.115 1.00 0.00 WT1 H
+ATOM 4235 H2 TIP3W2564 -5.972 21.967 -18.645 1.00 0.00 WT1 H
+ATOM 4236 OH2 TIP3W2565 0.432 18.360 -16.863 1.00 0.00 WT1 O
+ATOM 4237 H1 TIP3W2565 0.744 19.161 -17.349 1.00 0.00 WT1 H
+ATOM 4238 H2 TIP3W2565 0.129 18.786 -16.014 1.00 0.00 WT1 H
+ATOM 4239 OH2 TIP3W2567 -9.979 27.305 -6.200 1.00 0.00 WT1 O
+ATOM 4240 H1 TIP3W2567 -9.085 27.423 -5.800 1.00 0.00 WT1 H
+ATOM 4241 H2 TIP3W2567 -10.468 27.998 -5.731 1.00 0.00 WT1 H
+ATOM 4242 OH2 TIP3W2568 -20.225 30.700 1.511 1.00 0.00 WT1 O
+ATOM 4243 H1 TIP3W2568 -20.267 31.114 0.662 1.00 0.00 WT1 H
+ATOM 4244 H2 TIP3W2568 -21.164 30.696 1.788 1.00 0.00 WT1 H
+ATOM 4245 OH2 TIP3W2569 -12.232 31.016 0.738 1.00 0.00 WT1 O
+ATOM 4246 H1 TIP3W2569 -12.974 30.669 0.153 1.00 0.00 WT1 H
+ATOM 4247 H2 TIP3W2569 -12.530 31.967 0.921 1.00 0.00 WT1 H
+ATOM 4248 OH2 TIP3W2570 -18.388 26.333 -9.100 1.00 0.00 WT1 O
+ATOM 4249 H1 TIP3W2570 -18.983 25.831 -9.680 1.00 0.00 WT1 H
+ATOM 4250 H2 TIP3W2570 -17.999 27.039 -9.675 1.00 0.00 WT1 H
+ATOM 4251 OH2 TIP3W2571 -1.267 28.409 3.604 1.00 0.00 WT1 O
+ATOM 4252 H1 TIP3W2571 -0.400 27.951 3.599 1.00 0.00 WT1 H
+ATOM 4253 H2 TIP3W2571 -1.615 28.360 2.715 1.00 0.00 WT1 H
+ATOM 4254 OH2 TIP3W2572 -9.700 26.899 6.286 1.00 0.00 WT1 O
+ATOM 4255 H1 TIP3W2572 -10.419 26.199 6.305 1.00 0.00 WT1 H
+ATOM 4256 H2 TIP3W2572 -9.871 27.337 5.445 1.00 0.00 WT1 H
+ATOM 4257 OH2 TIP3W2574 -13.976 20.614 10.116 1.00 0.00 WT1 O
+ATOM 4258 H1 TIP3W2574 -14.383 21.487 9.905 1.00 0.00 WT1 H
+ATOM 4259 H2 TIP3W2574 -14.721 20.006 10.152 1.00 0.00 WT1 H
+ATOM 4260 OH2 TIP3W2575 0.695 22.556 18.784 1.00 0.00 WT1 O
+ATOM 4261 H1 TIP3W2575 0.248 23.376 18.593 1.00 0.00 WT1 H
+ATOM 4262 H2 TIP3W2575 0.607 22.053 18.007 1.00 0.00 WT1 H
+ATOM 4263 OH2 TIP3W2580 3.162 20.410 -20.202 1.00 0.00 WT1 O
+ATOM 4264 H1 TIP3W2580 3.669 20.949 -20.802 1.00 0.00 WT1 H
+ATOM 4265 H2 TIP3W2580 3.753 19.792 -19.835 1.00 0.00 WT1 H
+ATOM 4266 OH2 TIP3W2582 -9.281 4.561 -22.422 1.00 0.00 WT1 O
+ATOM 4267 H1 TIP3W2582 -10.237 4.670 -22.599 1.00 0.00 WT1 H
+ATOM 4268 H2 TIP3W2582 -8.853 5.384 -22.651 1.00 0.00 WT1 H
+ATOM 4269 OH2 TIP3W2584 -9.569 15.222 -16.232 1.00 0.00 WT1 O
+ATOM 4270 H1 TIP3W2584 -8.854 14.615 -16.521 1.00 0.00 WT1 H
+ATOM 4271 H2 TIP3W2584 -9.189 15.730 -15.526 1.00 0.00 WT1 H
+ATOM 4272 OH2 TIP3W2587 2.514 -26.664 -1.315 1.00 0.00 WT1 O
+ATOM 4273 H1 TIP3W2587 2.858 -27.319 -2.009 1.00 0.00 WT1 H
+ATOM 4274 H2 TIP3W2587 3.135 -26.831 -0.598 1.00 0.00 WT1 H
+ATOM 4275 OH2 TIP3W2588 -14.137 18.852 -1.687 1.00 0.00 WT1 O
+ATOM 4276 H1 TIP3W2588 -14.396 19.533 -0.995 1.00 0.00 WT1 H
+ATOM 4277 H2 TIP3W2588 -14.439 19.295 -2.432 1.00 0.00 WT1 H
+ATOM 4278 OH2 TIP3W2589 -17.103 17.373 -4.815 1.00 0.00 WT1 O
+ATOM 4279 H1 TIP3W2589 -16.312 16.792 -4.784 1.00 0.00 WT1 H
+ATOM 4280 H2 TIP3W2589 -16.613 18.252 -4.842 1.00 0.00 WT1 H
+ATOM 4281 OH2 TIP3W2590 -4.452 -31.058 21.855 1.00 0.00 WT1 O
+ATOM 4282 H1 TIP3W2590 -4.701 -31.790 21.318 1.00 0.00 WT1 H
+ATOM 4283 H2 TIP3W2590 -4.742 -30.297 21.320 1.00 0.00 WT1 H
+ATOM 4284 OH2 TIP3W2591 -13.071 -31.796 7.133 1.00 0.00 WT1 O
+ATOM 4285 H1 TIP3W2591 -12.579 -32.164 6.402 1.00 0.00 WT1 H
+ATOM 4286 H2 TIP3W2591 -12.276 -31.371 7.670 1.00 0.00 WT1 H
+ATOM 4287 OH2 TIP3W2592 -9.725 20.877 9.507 1.00 0.00 WT1 O
+ATOM 4288 H1 TIP3W2592 -10.282 20.283 9.004 1.00 0.00 WT1 H
+ATOM 4289 H2 TIP3W2592 -9.586 20.367 10.279 1.00 0.00 WT1 H
+ATOM 4290 OH2 TIP3W2593 -4.971 29.660 12.591 1.00 0.00 WT1 O
+ATOM 4291 H1 TIP3W2593 -4.524 29.106 11.978 1.00 0.00 WT1 H
+ATOM 4292 H2 TIP3W2593 -4.258 30.328 12.832 1.00 0.00 WT1 H
+ATOM 4293 OH2 TIP3W2594 -6.916 28.631 7.157 1.00 0.00 WT1 O
+ATOM 4294 H1 TIP3W2594 -7.096 28.958 6.263 1.00 0.00 WT1 H
+ATOM 4295 H2 TIP3W2594 -7.260 29.296 7.783 1.00 0.00 WT1 H
+ATOM 4296 OH2 TIP3W2595 -0.623 21.136 12.955 1.00 0.00 WT1 O
+ATOM 4297 H1 TIP3W2595 -1.378 20.541 12.831 1.00 0.00 WT1 H
+ATOM 4298 H2 TIP3W2595 -0.975 21.690 13.694 1.00 0.00 WT1 H
+ATOM 4299 OH2 TIP3W2596 2.931 24.586 17.005 1.00 0.00 WT1 O
+ATOM 4300 H1 TIP3W2596 2.374 24.839 17.767 1.00 0.00 WT1 H
+ATOM 4301 H2 TIP3W2596 2.299 24.131 16.442 1.00 0.00 WT1 H
+ATOM 4302 OH2 TIP3W2598 -14.264 6.260 18.690 1.00 0.00 WT1 O
+ATOM 4303 H1 TIP3W2598 -14.812 6.659 18.014 1.00 0.00 WT1 H
+ATOM 4304 H2 TIP3W2598 -14.605 6.538 19.518 1.00 0.00 WT1 H
+ATOM 4305 OH2 TIP3W2606 -4.259 -32.032 -11.736 1.00 0.00 WT1 O
+ATOM 4306 H1 TIP3W2606 -3.761 -32.266 -10.900 1.00 0.00 WT1 H
+ATOM 4307 H2 TIP3W2606 -4.183 -31.041 -11.814 1.00 0.00 WT1 H
+ATOM 4308 OH2 TIP3W2607 -12.536 -26.802 -17.436 1.00 0.00 WT1 O
+ATOM 4309 H1 TIP3W2607 -12.431 -25.853 -17.638 1.00 0.00 WT1 H
+ATOM 4310 H2 TIP3W2607 -11.789 -27.018 -16.885 1.00 0.00 WT1 H
+ATOM 4311 OH2 TIP3W2608 -14.705 -28.889 -17.494 1.00 0.00 WT1 O
+ATOM 4312 H1 TIP3W2608 -14.036 -28.182 -17.382 1.00 0.00 WT1 H
+ATOM 4313 H2 TIP3W2608 -15.516 -28.573 -17.025 1.00 0.00 WT1 H
+ATOM 4314 OH2 TIP3W2609 -4.768 26.066 -1.273 1.00 0.00 WT1 O
+ATOM 4315 H1 TIP3W2609 -5.217 25.392 -0.815 1.00 0.00 WT1 H
+ATOM 4316 H2 TIP3W2609 -4.442 25.621 -2.077 1.00 0.00 WT1 H
+ATOM 4317 OH2 TIP3W2610 3.003 -27.137 -10.657 1.00 0.00 WT1 O
+ATOM 4318 H1 TIP3W2610 3.229 -27.929 -11.076 1.00 0.00 WT1 H
+ATOM 4319 H2 TIP3W2610 3.638 -26.973 -9.937 1.00 0.00 WT1 H
+ATOM 4320 OH2 TIP3W2612 -8.796 19.795 -0.674 1.00 0.00 WT1 O
+ATOM 4321 H1 TIP3W2612 -8.645 19.916 0.261 1.00 0.00 WT1 H
+ATOM 4322 H2 TIP3W2612 -8.000 19.640 -1.047 1.00 0.00 WT1 H
+ATOM 4323 OH2 TIP3W2614 -6.492 27.646 13.495 1.00 0.00 WT1 O
+ATOM 4324 H1 TIP3W2614 -6.375 27.187 12.623 1.00 0.00 WT1 H
+ATOM 4325 H2 TIP3W2614 -6.233 28.519 13.287 1.00 0.00 WT1 H
+ATOM 4326 OH2 TIP3W2616 -8.258 -19.070 7.520 1.00 0.00 WT1 O
+ATOM 4327 H1 TIP3W2616 -8.574 -18.266 7.034 1.00 0.00 WT1 H
+ATOM 4328 H2 TIP3W2616 -8.360 -18.852 8.423 1.00 0.00 WT1 H
+ATOM 4329 OH2 TIP3W2617 -3.783 -26.431 8.505 1.00 0.00 WT1 O
+ATOM 4330 H1 TIP3W2617 -3.337 -27.179 8.887 1.00 0.00 WT1 H
+ATOM 4331 H2 TIP3W2617 -2.968 -25.841 8.319 1.00 0.00 WT1 H
+ATOM 4332 OH2 TIP3W2618 -12.329 16.030 21.128 1.00 0.00 WT1 O
+ATOM 4333 H1 TIP3W2618 -11.904 15.168 20.901 1.00 0.00 WT1 H
+ATOM 4334 H2 TIP3W2618 -13.150 15.780 21.566 1.00 0.00 WT1 H
+ATOM 4335 OH2 TIP3W2619 -1.397 31.484 16.331 1.00 0.00 WT1 O
+ATOM 4336 H1 TIP3W2619 -1.369 30.696 15.832 1.00 0.00 WT1 H
+ATOM 4337 H2 TIP3W2619 -0.765 32.083 15.932 1.00 0.00 WT1 H
+ATOM 4338 OH2 TIP3W2622 -6.449 29.210 21.097 1.00 0.00 WT1 O
+ATOM 4339 H1 TIP3W2622 -5.557 29.455 21.549 1.00 0.00 WT1 H
+ATOM 4340 H2 TIP3W2622 -6.143 28.512 20.437 1.00 0.00 WT1 H
+ATOM 4341 OH2 TIP3W2628 3.576 -22.880 -13.138 1.00 0.00 WT1 O
+ATOM 4342 H1 TIP3W2628 3.393 -23.774 -12.860 1.00 0.00 WT1 H
+ATOM 4343 H2 TIP3W2628 2.708 -22.384 -12.912 1.00 0.00 WT1 H
+ATOM 4344 OH2 TIP3W2631 -5.187 24.062 -11.502 1.00 0.00 WT1 O
+ATOM 4345 H1 TIP3W2631 -4.338 24.012 -11.023 1.00 0.00 WT1 H
+ATOM 4346 H2 TIP3W2631 -5.908 24.009 -10.865 1.00 0.00 WT1 H
+ATOM 4347 OH2 TIP3W2632 2.628 -13.339 -7.762 1.00 0.00 WT1 O
+ATOM 4348 H1 TIP3W2632 2.066 -13.677 -7.054 1.00 0.00 WT1 H
+ATOM 4349 H2 TIP3W2632 2.016 -13.263 -8.536 1.00 0.00 WT1 H
+ATOM 4350 OH2 TIP3W2634 -14.027 -28.892 -11.659 1.00 0.00 WT1 O
+ATOM 4351 H1 TIP3W2634 -14.151 -28.109 -11.039 1.00 0.00 WT1 H
+ATOM 4352 H2 TIP3W2634 -14.631 -29.508 -11.242 1.00 0.00 WT1 H
+ATOM 4353 OH2 TIP3W2635 10.648 -31.050 -1.440 1.00 0.00 WT1 O
+ATOM 4354 H1 TIP3W2635 11.375 -31.405 -1.903 1.00 0.00 WT1 H
+ATOM 4355 H2 TIP3W2635 10.263 -30.455 -2.114 1.00 0.00 WT1 H
+ATOM 4356 OH2 TIP3W2637 -3.853 27.881 7.414 1.00 0.00 WT1 O
+ATOM 4357 H1 TIP3W2637 -4.327 28.480 6.807 1.00 0.00 WT1 H
+ATOM 4358 H2 TIP3W2637 -3.033 28.347 7.502 1.00 0.00 WT1 H
+ATOM 4359 OH2 TIP3W2638 -15.851 -29.675 21.657 1.00 0.00 WT1 O
+ATOM 4360 H1 TIP3W2638 -15.759 -30.649 21.716 1.00 0.00 WT1 H
+ATOM 4361 H2 TIP3W2638 -16.267 -29.419 22.469 1.00 0.00 WT1 H
+ATOM 4362 OH2 TIP3W2640 -0.220 26.321 14.837 1.00 0.00 WT1 O
+ATOM 4363 H1 TIP3W2640 -0.013 25.932 13.975 1.00 0.00 WT1 H
+ATOM 4364 H2 TIP3W2640 0.515 26.855 15.101 1.00 0.00 WT1 H
+ATOM 4365 OH2 TIP3W2644 -17.203 -21.357 17.048 1.00 0.00 WT1 O
+ATOM 4366 H1 TIP3W2644 -17.883 -21.945 16.690 1.00 0.00 WT1 H
+ATOM 4367 H2 TIP3W2644 -17.765 -20.561 17.195 1.00 0.00 WT1 H
+ATOM 4368 OH2 TIP3W2648 -9.152 28.392 -21.524 1.00 0.00 WT1 O
+ATOM 4369 H1 TIP3W2648 -9.669 28.188 -20.776 1.00 0.00 WT1 H
+ATOM 4370 H2 TIP3W2648 -9.636 28.032 -22.311 1.00 0.00 WT1 H
+ATOM 4371 OH2 TIP3W2649 7.187 -22.782 -13.430 1.00 0.00 WT1 O
+ATOM 4372 H1 TIP3W2649 6.676 -23.153 -12.720 1.00 0.00 WT1 H
+ATOM 4373 H2 TIP3W2649 6.674 -21.966 -13.617 1.00 0.00 WT1 H
+ATOM 4374 OH2 TIP3W2650 3.083 -28.706 -14.160 1.00 0.00 WT1 O
+ATOM 4375 H1 TIP3W2650 3.251 -29.642 -14.305 1.00 0.00 WT1 H
+ATOM 4376 H2 TIP3W2650 3.553 -28.492 -13.339 1.00 0.00 WT1 H
+ATOM 4377 OH2 TIP3W2651 -2.676 25.435 -4.423 1.00 0.00 WT1 O
+ATOM 4378 H1 TIP3W2651 -3.126 24.546 -4.518 1.00 0.00 WT1 H
+ATOM 4379 H2 TIP3W2651 -1.781 25.150 -4.393 1.00 0.00 WT1 H
+ATOM 4380 OH2 TIP3W2653 0.235 30.160 -9.790 1.00 0.00 WT1 O
+ATOM 4381 H1 TIP3W2653 -0.563 29.977 -9.237 1.00 0.00 WT1 H
+ATOM 4382 H2 TIP3W2653 0.021 30.925 -10.316 1.00 0.00 WT1 H
+ATOM 4383 OH2 TIP3W2654 4.618 -22.730 -15.618 1.00 0.00 WT1 O
+ATOM 4384 H1 TIP3W2654 5.057 -22.011 -15.174 1.00 0.00 WT1 H
+ATOM 4385 H2 TIP3W2654 4.180 -23.154 -14.868 1.00 0.00 WT1 H
+ATOM 4386 OH2 TIP3W2656 -16.554 -16.064 3.728 1.00 0.00 WT1 O
+ATOM 4387 H1 TIP3W2656 -17.467 -16.238 3.752 1.00 0.00 WT1 H
+ATOM 4388 H2 TIP3W2656 -16.475 -15.842 2.789 1.00 0.00 WT1 H
+ATOM 4389 OH2 TIP3W2657 -5.872 -27.396 11.135 1.00 0.00 WT1 O
+ATOM 4390 H1 TIP3W2657 -5.893 -28.318 11.306 1.00 0.00 WT1 H
+ATOM 4391 H2 TIP3W2657 -5.455 -27.407 10.269 1.00 0.00 WT1 H
+ATOM 4392 OH2 TIP3W2658 -2.575 22.242 6.935 1.00 0.00 WT1 O
+ATOM 4393 H1 TIP3W2658 -1.751 22.417 7.415 1.00 0.00 WT1 H
+ATOM 4394 H2 TIP3W2658 -2.492 22.908 6.248 1.00 0.00 WT1 H
+ATOM 4395 OH2 TIP3W2659 -5.662 -23.421 14.374 1.00 0.00 WT1 O
+ATOM 4396 H1 TIP3W2659 -5.068 -23.774 15.144 1.00 0.00 WT1 H
+ATOM 4397 H2 TIP3W2659 -5.751 -24.187 13.765 1.00 0.00 WT1 H
+ATOM 4398 OH2 TIP3W2662 -2.477 -26.810 16.585 1.00 0.00 WT1 O
+ATOM 4399 H1 TIP3W2662 -1.516 -27.040 16.506 1.00 0.00 WT1 H
+ATOM 4400 H2 TIP3W2662 -2.831 -27.268 15.857 1.00 0.00 WT1 H
+ATOM 4401 OH2 TIP3W2667 10.365 -26.753 -3.785 1.00 0.00 WT1 O
+ATOM 4402 H1 TIP3W2667 9.618 -26.470 -3.206 1.00 0.00 WT1 H
+ATOM 4403 H2 TIP3W2667 10.146 -26.559 -4.745 1.00 0.00 WT1 H
+ATOM 4404 OH2 TIP3W2669 -9.547 -21.896 -11.417 1.00 0.00 WT1 O
+ATOM 4405 H1 TIP3W2669 -8.761 -21.818 -11.912 1.00 0.00 WT1 H
+ATOM 4406 H2 TIP3W2669 -9.703 -20.934 -11.278 1.00 0.00 WT1 H
+ATOM 4407 OH2 TIP3W2670 5.098 -22.705 -7.106 1.00 0.00 WT1 O
+ATOM 4408 H1 TIP3W2670 4.696 -23.618 -6.981 1.00 0.00 WT1 H
+ATOM 4409 H2 TIP3W2670 4.661 -22.163 -6.423 1.00 0.00 WT1 H
+ATOM 4410 OH2 TIP3W2672 12.712 -21.417 -7.193 1.00 0.00 WT1 O
+ATOM 4411 H1 TIP3W2672 12.709 -20.684 -7.740 1.00 0.00 WT1 H
+ATOM 4412 H2 TIP3W2672 11.698 -21.668 -7.106 1.00 0.00 WT1 H
+ATOM 4413 OH2 TIP3W2673 -4.397 -27.825 -4.345 1.00 0.00 WT1 O
+ATOM 4414 H1 TIP3W2673 -4.994 -27.635 -3.603 1.00 0.00 WT1 H
+ATOM 4415 H2 TIP3W2673 -4.124 -26.978 -4.676 1.00 0.00 WT1 H
+ATOM 4416 OH2 TIP3W2674 11.350 -30.577 -5.316 1.00 0.00 WT1 O
+ATOM 4417 H1 TIP3W2674 11.402 -29.979 -6.095 1.00 0.00 WT1 H
+ATOM 4418 H2 TIP3W2674 10.594 -31.209 -5.463 1.00 0.00 WT1 H
+ATOM 4419 OH2 TIP3W2675 -8.999 -30.555 3.796 1.00 0.00 WT1 O
+ATOM 4420 H1 TIP3W2675 -8.475 -30.636 2.948 1.00 0.00 WT1 H
+ATOM 4421 H2 TIP3W2675 -8.890 -31.442 4.186 1.00 0.00 WT1 H
+ATOM 4422 OH2 TIP3W2676 3.188 -28.523 -3.198 1.00 0.00 WT1 O
+ATOM 4423 H1 TIP3W2676 3.009 -29.411 -2.814 1.00 0.00 WT1 H
+ATOM 4424 H2 TIP3W2676 3.287 -28.770 -4.192 1.00 0.00 WT1 H
+ATOM 4425 OH2 TIP3W2677 -11.326 -19.168 2.317 1.00 0.00 WT1 O
+ATOM 4426 H1 TIP3W2677 -11.521 -18.406 2.796 1.00 0.00 WT1 H
+ATOM 4427 H2 TIP3W2677 -10.933 -19.817 2.981 1.00 0.00 WT1 H
+ATOM 4428 OH2 TIP3W2678 5.439 -18.628 5.894 1.00 0.00 WT1 O
+ATOM 4429 H1 TIP3W2678 6.118 -18.226 5.415 1.00 0.00 WT1 H
+ATOM 4430 H2 TIP3W2678 4.603 -18.219 5.549 1.00 0.00 WT1 H
+ATOM 4431 OH2 TIP3W2679 -11.321 20.740 14.551 1.00 0.00 WT1 O
+ATOM 4432 H1 TIP3W2679 -11.932 20.576 13.827 1.00 0.00 WT1 H
+ATOM 4433 H2 TIP3W2679 -11.138 21.671 14.503 1.00 0.00 WT1 H
+ATOM 4434 OH2 TIP3W2680 -2.255 -24.836 12.776 1.00 0.00 WT1 O
+ATOM 4435 H1 TIP3W2680 -3.182 -24.668 12.543 1.00 0.00 WT1 H
+ATOM 4436 H2 TIP3W2680 -1.789 -25.156 11.977 1.00 0.00 WT1 H
+ATOM 4437 OH2 TIP3W2681 -8.010 -27.286 19.821 1.00 0.00 WT1 O
+ATOM 4438 H1 TIP3W2681 -8.287 -28.150 19.391 1.00 0.00 WT1 H
+ATOM 4439 H2 TIP3W2681 -7.327 -26.978 19.259 1.00 0.00 WT1 H
+ATOM 4440 OH2 TIP3W2682 -3.507 -17.019 17.306 1.00 0.00 WT1 O
+ATOM 4441 H1 TIP3W2682 -3.292 -17.175 16.403 1.00 0.00 WT1 H
+ATOM 4442 H2 TIP3W2682 -3.414 -16.064 17.499 1.00 0.00 WT1 H
+ATOM 4443 OH2 TIP3W2683 -2.527 -31.436 12.560 1.00 0.00 WT1 O
+ATOM 4444 H1 TIP3W2683 -2.891 -31.567 13.439 1.00 0.00 WT1 H
+ATOM 4445 H2 TIP3W2683 -3.131 -31.982 12.058 1.00 0.00 WT1 H
+ATOM 4446 OH2 TIP3W2684 -16.537 -30.681 17.282 1.00 0.00 WT1 O
+ATOM 4447 H1 TIP3W2684 -16.455 -29.990 17.905 1.00 0.00 WT1 H
+ATOM 4448 H2 TIP3W2684 -15.992 -30.459 16.587 1.00 0.00 WT1 H
+ATOM 4449 OH2 TIP3W2689 -1.077 -27.477 -16.873 1.00 0.00 WT1 O
+ATOM 4450 H1 TIP3W2689 -0.916 -26.575 -16.916 1.00 0.00 WT1 H
+ATOM 4451 H2 TIP3W2689 -0.388 -27.820 -16.230 1.00 0.00 WT1 H
+ATOM 4452 OH2 TIP3W2690 0.627 -27.166 -14.366 1.00 0.00 WT1 O
+ATOM 4453 H1 TIP3W2690 1.464 -27.733 -14.079 1.00 0.00 WT1 H
+ATOM 4454 H2 TIP3W2690 0.874 -26.321 -14.020 1.00 0.00 WT1 H
+ATOM 4455 OH2 TIP3W2691 -7.270 -28.431 -8.161 1.00 0.00 WT1 O
+ATOM 4456 H1 TIP3W2691 -7.233 -28.142 -9.129 1.00 0.00 WT1 H
+ATOM 4457 H2 TIP3W2691 -8.001 -27.874 -7.734 1.00 0.00 WT1 H
+ATOM 4458 OH2 TIP3W2692 3.010 -25.674 -12.863 1.00 0.00 WT1 O
+ATOM 4459 H1 TIP3W2692 3.770 -26.266 -13.100 1.00 0.00 WT1 H
+ATOM 4460 H2 TIP3W2692 2.908 -25.856 -11.903 1.00 0.00 WT1 H
+ATOM 4461 OH2 TIP3W2693 -5.535 -30.917 7.339 1.00 0.00 WT1 O
+ATOM 4462 H1 TIP3W2693 -5.100 -30.687 6.474 1.00 0.00 WT1 H
+ATOM 4463 H2 TIP3W2693 -6.308 -31.480 7.043 1.00 0.00 WT1 H
+ATOM 4464 OH2 TIP3W2694 -14.186 -26.855 -9.637 1.00 0.00 WT1 O
+ATOM 4465 H1 TIP3W2694 -13.516 -27.167 -9.009 1.00 0.00 WT1 H
+ATOM 4466 H2 TIP3W2694 -14.847 -26.462 -9.031 1.00 0.00 WT1 H
+ATOM 4467 OH2 TIP3W2695 10.498 -23.645 -8.884 1.00 0.00 WT1 O
+ATOM 4468 H1 TIP3W2695 10.147 -22.863 -8.443 1.00 0.00 WT1 H
+ATOM 4469 H2 TIP3W2695 9.686 -24.150 -9.071 1.00 0.00 WT1 H
+ATOM 4470 OH2 TIP3W2696 10.068 -28.716 1.402 1.00 0.00 WT1 O
+ATOM 4471 H1 TIP3W2696 10.294 -28.523 2.319 1.00 0.00 WT1 H
+ATOM 4472 H2 TIP3W2696 10.158 -29.649 1.307 1.00 0.00 WT1 H
+ATOM 4473 OH2 TIP3W2697 1.156 -16.698 -5.098 1.00 0.00 WT1 O
+ATOM 4474 H1 TIP3W2697 1.965 -16.301 -5.373 1.00 0.00 WT1 H
+ATOM 4475 H2 TIP3W2697 0.827 -17.119 -5.963 1.00 0.00 WT1 H
+ATOM 4476 OH2 TIP3W2698 20.987 -17.558 16.575 1.00 0.00 WT1 O
+ATOM 4477 H1 TIP3W2698 21.018 -16.934 17.378 1.00 0.00 WT1 H
+ATOM 4478 H2 TIP3W2698 20.220 -17.394 16.195 1.00 0.00 WT1 H
+ATOM 4479 OH2 TIP3W2699 5.418 -14.761 5.718 1.00 0.00 WT1 O
+ATOM 4480 H1 TIP3W2699 4.848 -13.996 6.087 1.00 0.00 WT1 H
+ATOM 4481 H2 TIP3W2699 4.768 -15.363 5.365 1.00 0.00 WT1 H
+ATOM 4482 OH2 TIP3W2701 -10.792 -7.355 -5.548 1.00 0.00 WT1 O
+ATOM 4483 H1 TIP3W2701 -9.919 -7.603 -5.910 1.00 0.00 WT1 H
+ATOM 4484 H2 TIP3W2701 -10.980 -8.081 -4.912 1.00 0.00 WT1 H
+ATOM 4485 OH2 TIP3W2703 1.963 -25.399 12.544 1.00 0.00 WT1 O
+ATOM 4486 H1 TIP3W2703 1.211 -25.962 12.135 1.00 0.00 WT1 H
+ATOM 4487 H2 TIP3W2703 2.085 -25.831 13.427 1.00 0.00 WT1 H
+ATOM 4488 OH2 TIP3W2704 -5.939 25.340 17.988 1.00 0.00 WT1 O
+ATOM 4489 H1 TIP3W2704 -6.352 25.851 17.243 1.00 0.00 WT1 H
+ATOM 4490 H2 TIP3W2704 -6.176 24.427 17.772 1.00 0.00 WT1 H
+ATOM 4491 OH2 TIP3W2709 -3.332 -11.125 -20.536 1.00 0.00 WT1 O
+ATOM 4492 H1 TIP3W2709 -2.667 -11.646 -20.053 1.00 0.00 WT1 H
+ATOM 4493 H2 TIP3W2709 -3.905 -11.778 -20.870 1.00 0.00 WT1 H
+ATOM 4494 OH2 TIP3W2710 9.062 -16.169 -21.956 1.00 0.00 WT1 O
+ATOM 4495 H1 TIP3W2710 8.808 -15.277 -21.565 1.00 0.00 WT1 H
+ATOM 4496 H2 TIP3W2710 8.350 -16.764 -21.676 1.00 0.00 WT1 H
+ATOM 4497 OH2 TIP3W2712 -0.940 25.080 -7.104 1.00 0.00 WT1 O
+ATOM 4498 H1 TIP3W2712 -0.828 25.382 -8.034 1.00 0.00 WT1 H
+ATOM 4499 H2 TIP3W2712 -1.880 25.058 -6.949 1.00 0.00 WT1 H
+ATOM 4500 OH2 TIP3W2713 -6.472 -12.384 -14.346 1.00 0.00 WT1 O
+ATOM 4501 H1 TIP3W2713 -6.354 -11.444 -14.585 1.00 0.00 WT1 H
+ATOM 4502 H2 TIP3W2713 -7.329 -12.492 -13.894 1.00 0.00 WT1 H
+ATOM 4503 OH2 TIP3W2714 -18.305 -11.246 -4.128 1.00 0.00 WT1 O
+ATOM 4504 H1 TIP3W2714 -17.429 -11.349 -3.813 1.00 0.00 WT1 H
+ATOM 4505 H2 TIP3W2714 -18.417 -10.297 -4.290 1.00 0.00 WT1 H
+ATOM 4506 OH2 TIP3W2715 -1.081 -24.209 -17.049 1.00 0.00 WT1 O
+ATOM 4507 H1 TIP3W2715 -0.777 -23.336 -16.875 1.00 0.00 WT1 H
+ATOM 4508 H2 TIP3W2715 -1.258 -24.158 -17.997 1.00 0.00 WT1 H
+ATOM 4509 OH2 TIP3W2718 6.011 -9.998 15.681 1.00 0.00 WT1 O
+ATOM 4510 H1 TIP3W2718 5.503 -9.988 16.493 1.00 0.00 WT1 H
+ATOM 4511 H2 TIP3W2718 6.115 -10.972 15.605 1.00 0.00 WT1 H
+ATOM 4512 OH2 TIP3W2720 -5.042 -25.154 12.234 1.00 0.00 WT1 O
+ATOM 4513 H1 TIP3W2720 -5.503 -24.490 11.743 1.00 0.00 WT1 H
+ATOM 4514 H2 TIP3W2720 -5.405 -25.983 11.843 1.00 0.00 WT1 H
+ATOM 4515 OH2 TIP3W2721 6.000 -21.150 13.485 1.00 0.00 WT1 O
+ATOM 4516 H1 TIP3W2721 6.956 -21.036 13.803 1.00 0.00 WT1 H
+ATOM 4517 H2 TIP3W2721 6.106 -21.786 12.773 1.00 0.00 WT1 H
+ATOM 4518 OH2 TIP3W2722 10.671 -28.622 17.025 1.00 0.00 WT1 O
+ATOM 4519 H1 TIP3W2722 9.825 -28.926 17.416 1.00 0.00 WT1 H
+ATOM 4520 H2 TIP3W2722 11.137 -28.428 17.846 1.00 0.00 WT1 H
+ATOM 4521 OH2 TIP3W2723 -9.189 -18.817 20.778 1.00 0.00 WT1 O
+ATOM 4522 H1 TIP3W2723 -8.920 -18.775 19.879 1.00 0.00 WT1 H
+ATOM 4523 H2 TIP3W2723 -10.105 -18.564 20.693 1.00 0.00 WT1 H
+ATOM 4524 OH2 TIP3W2724 -11.199 -21.223 18.387 1.00 0.00 WT1 O
+ATOM 4525 H1 TIP3W2724 -11.903 -21.895 18.438 1.00 0.00 WT1 H
+ATOM 4526 H2 TIP3W2724 -10.581 -21.582 19.015 1.00 0.00 WT1 H
+ATOM 4527 OH2 TIP3W2732 -8.716 -24.933 -11.007 1.00 0.00 WT1 O
+ATOM 4528 H1 TIP3W2732 -9.377 -24.334 -10.561 1.00 0.00 WT1 H
+ATOM 4529 H2 TIP3W2732 -8.129 -24.378 -11.535 1.00 0.00 WT1 H
+ATOM 4530 OH2 TIP3W2734 -2.098 -19.234 -16.550 1.00 0.00 WT1 O
+ATOM 4531 H1 TIP3W2734 -2.952 -19.710 -16.263 1.00 0.00 WT1 H
+ATOM 4532 H2 TIP3W2734 -1.898 -18.673 -15.744 1.00 0.00 WT1 H
+ATOM 4533 OH2 TIP3W2735 -8.986 -15.160 -13.196 1.00 0.00 WT1 O
+ATOM 4534 H1 TIP3W2735 -9.330 -16.022 -13.087 1.00 0.00 WT1 H
+ATOM 4535 H2 TIP3W2735 -8.970 -15.070 -14.147 1.00 0.00 WT1 H
+ATOM 4536 OH2 TIP3W2736 6.615 -20.773 -15.440 1.00 0.00 WT1 O
+ATOM 4537 H1 TIP3W2736 7.288 -20.093 -15.317 1.00 0.00 WT1 H
+ATOM 4538 H2 TIP3W2736 6.801 -21.060 -16.384 1.00 0.00 WT1 H
+ATOM 4539 OH2 TIP3W2738 -13.352 -5.575 2.542 1.00 0.00 WT1 O
+ATOM 4540 H1 TIP3W2738 -12.840 -6.227 3.040 1.00 0.00 WT1 H
+ATOM 4541 H2 TIP3W2738 -13.702 -6.172 1.872 1.00 0.00 WT1 H
+ATOM 4542 OH2 TIP3W2739 11.438 -4.670 1.813 1.00 0.00 WT1 O
+ATOM 4543 H1 TIP3W2739 12.029 -5.386 1.892 1.00 0.00 WT1 H
+ATOM 4544 H2 TIP3W2739 12.003 -3.854 1.656 1.00 0.00 WT1 H
+ATOM 4545 OH2 TIP3W2741 -6.081 -10.188 8.424 1.00 0.00 WT1 O
+ATOM 4546 H1 TIP3W2741 -5.336 -10.776 8.660 1.00 0.00 WT1 H
+ATOM 4547 H2 TIP3W2741 -5.573 -9.430 8.081 1.00 0.00 WT1 H
+ATOM 4548 OH2 TIP3W2743 -4.110 -19.390 2.961 1.00 0.00 WT1 O
+ATOM 4549 H1 TIP3W2743 -4.710 -19.849 2.372 1.00 0.00 WT1 H
+ATOM 4550 H2 TIP3W2743 -4.229 -19.799 3.859 1.00 0.00 WT1 H
+ATOM 4551 OH2 TIP3W2744 -12.474 29.331 17.015 1.00 0.00 WT1 O
+ATOM 4552 H1 TIP3W2744 -12.419 29.643 16.048 1.00 0.00 WT1 H
+ATOM 4553 H2 TIP3W2744 -13.266 29.693 17.348 1.00 0.00 WT1 H
+ATOM 4554 OH2 TIP3W2746 -3.665 -17.967 20.435 1.00 0.00 WT1 O
+ATOM 4555 H1 TIP3W2746 -4.666 -18.209 20.378 1.00 0.00 WT1 H
+ATOM 4556 H2 TIP3W2746 -3.436 -17.952 19.511 1.00 0.00 WT1 H
+ATOM 4557 OH2 TIP3W2753 -2.280 -5.432 -17.057 1.00 0.00 WT1 O
+ATOM 4558 H1 TIP3W2753 -3.157 -5.097 -16.937 1.00 0.00 WT1 H
+ATOM 4559 H2 TIP3W2753 -1.748 -4.613 -17.175 1.00 0.00 WT1 H
+ATOM 4560 OH2 TIP3W2754 2.314 -21.503 -9.331 1.00 0.00 WT1 O
+ATOM 4561 H1 TIP3W2754 1.809 -21.396 -10.158 1.00 0.00 WT1 H
+ATOM 4562 H2 TIP3W2754 3.252 -21.620 -9.573 1.00 0.00 WT1 H
+ATOM 4563 OH2 TIP3W2755 -15.938 -5.998 -4.186 1.00 0.00 WT1 O
+ATOM 4564 H1 TIP3W2755 -15.542 -5.240 -3.693 1.00 0.00 WT1 H
+ATOM 4565 H2 TIP3W2755 -15.596 -5.877 -5.043 1.00 0.00 WT1 H
+ATOM 4566 OH2 TIP3W2756 5.926 -20.411 3.139 1.00 0.00 WT1 O
+ATOM 4567 H1 TIP3W2756 6.513 -19.585 2.919 1.00 0.00 WT1 H
+ATOM 4568 H2 TIP3W2756 4.951 -20.162 2.974 1.00 0.00 WT1 H
+ATOM 4569 OH2 TIP3W2758 -12.487 -14.324 -2.095 1.00 0.00 WT1 O
+ATOM 4570 H1 TIP3W2758 -12.133 -15.149 -2.495 1.00 0.00 WT1 H
+ATOM 4571 H2 TIP3W2758 -13.188 -14.661 -1.504 1.00 0.00 WT1 H
+ATOM 4572 OH2 TIP3W2760 -9.103 -19.751 4.711 1.00 0.00 WT1 O
+ATOM 4573 H1 TIP3W2760 -9.021 -19.486 5.628 1.00 0.00 WT1 H
+ATOM 4574 H2 TIP3W2760 -8.628 -20.608 4.636 1.00 0.00 WT1 H
+ATOM 4575 OH2 TIP3W2761 13.884 -24.098 11.775 1.00 0.00 WT1 O
+ATOM 4576 H1 TIP3W2761 13.598 -24.052 10.803 1.00 0.00 WT1 H
+ATOM 4577 H2 TIP3W2761 14.841 -23.938 11.777 1.00 0.00 WT1 H
+ATOM 4578 OH2 TIP3W2762 -3.805 -11.184 19.107 1.00 0.00 WT1 O
+ATOM 4579 H1 TIP3W2762 -4.170 -10.540 19.716 1.00 0.00 WT1 H
+ATOM 4580 H2 TIP3W2762 -4.484 -11.818 19.049 1.00 0.00 WT1 H
+ATOM 4581 OH2 TIP3W2767 -16.233 -0.057 16.067 1.00 0.00 WT1 O
+ATOM 4582 H1 TIP3W2767 -16.136 -0.469 15.221 1.00 0.00 WT1 H
+ATOM 4583 H2 TIP3W2767 -17.194 -0.261 16.225 1.00 0.00 WT1 H
+ATOM 4584 OH2 TIP3W2774 11.226 -3.358 -12.056 1.00 0.00 WT1 O
+ATOM 4585 H1 TIP3W2774 10.782 -4.173 -12.250 1.00 0.00 WT1 H
+ATOM 4586 H2 TIP3W2774 12.145 -3.546 -12.286 1.00 0.00 WT1 H
+ATOM 4587 OH2 TIP3W2775 7.091 -23.653 -18.746 1.00 0.00 WT1 O
+ATOM 4588 H1 TIP3W2775 6.433 -22.981 -18.536 1.00 0.00 WT1 H
+ATOM 4589 H2 TIP3W2775 7.302 -24.014 -17.893 1.00 0.00 WT1 H
+ATOM 4590 OH2 TIP3W2777 3.831 -12.158 -15.282 1.00 0.00 WT1 O
+ATOM 4591 H1 TIP3W2777 3.276 -11.485 -15.653 1.00 0.00 WT1 H
+ATOM 4592 H2 TIP3W2777 4.563 -11.500 -14.945 1.00 0.00 WT1 H
+ATOM 4593 OH2 TIP3W2778 -7.121 -24.452 -5.380 1.00 0.00 WT1 O
+ATOM 4594 H1 TIP3W2778 -7.436 -24.428 -6.262 1.00 0.00 WT1 H
+ATOM 4595 H2 TIP3W2778 -7.880 -24.844 -4.888 1.00 0.00 WT1 H
+ATOM 4596 OH2 TIP3W2779 -13.430 -20.093 0.772 1.00 0.00 WT1 O
+ATOM 4597 H1 TIP3W2779 -13.720 -20.522 1.677 1.00 0.00 WT1 H
+ATOM 4598 H2 TIP3W2779 -12.500 -19.926 0.899 1.00 0.00 WT1 H
+ATOM 4599 OH2 TIP3W2780 -18.439 -8.312 5.458 1.00 0.00 WT1 O
+ATOM 4600 H1 TIP3W2780 -18.061 -7.458 5.766 1.00 0.00 WT1 H
+ATOM 4601 H2 TIP3W2780 -19.253 -8.367 5.919 1.00 0.00 WT1 H
+ATOM 4602 OH2 TIP3W2781 -20.679 5.971 -13.032 1.00 0.00 WT1 O
+ATOM 4603 H1 TIP3W2781 -20.279 5.083 -12.926 1.00 0.00 WT1 H
+ATOM 4604 H2 TIP3W2781 -20.838 6.242 -12.120 1.00 0.00 WT1 H
+ATOM 4605 OH2 TIP3W2782 10.298 -4.343 7.455 1.00 0.00 WT1 O
+ATOM 4606 H1 TIP3W2782 11.045 -3.934 7.937 1.00 0.00 WT1 H
+ATOM 4607 H2 TIP3W2782 10.715 -4.626 6.672 1.00 0.00 WT1 H
+ATOM 4608 OH2 TIP3W2783 6.833 -5.865 15.916 1.00 0.00 WT1 O
+ATOM 4609 H1 TIP3W2783 6.377 -5.839 15.036 1.00 0.00 WT1 H
+ATOM 4610 H2 TIP3W2783 7.699 -5.553 15.713 1.00 0.00 WT1 H
+ATOM 4611 OH2 TIP3W2784 -10.314 -2.581 8.995 1.00 0.00 WT1 O
+ATOM 4612 H1 TIP3W2784 -10.430 -1.538 8.939 1.00 0.00 WT1 H
+ATOM 4613 H2 TIP3W2784 -10.480 -2.870 8.124 1.00 0.00 WT1 H
+ATOM 4614 OH2 TIP3W2785 -4.711 -6.182 20.671 1.00 0.00 WT1 O
+ATOM 4615 H1 TIP3W2785 -4.584 -5.690 19.834 1.00 0.00 WT1 H
+ATOM 4616 H2 TIP3W2785 -5.708 -6.048 20.890 1.00 0.00 WT1 H
+ATOM 4617 OH2 TIP3W2786 -12.280 -29.997 20.985 1.00 0.00 WT1 O
+ATOM 4618 H1 TIP3W2786 -12.390 -30.587 21.750 1.00 0.00 WT1 H
+ATOM 4619 H2 TIP3W2786 -12.724 -30.505 20.313 1.00 0.00 WT1 H
+ATOM 4620 OH2 TIP3W2790 -3.084 -0.449 18.265 1.00 0.00 WT1 O
+ATOM 4621 H1 TIP3W2790 -2.427 -1.175 18.156 1.00 0.00 WT1 H
+ATOM 4622 H2 TIP3W2790 -2.915 0.124 17.516 1.00 0.00 WT1 H
+ATOM 4623 OH2 TIP3W2794 -0.544 -21.638 -16.718 1.00 0.00 WT1 O
+ATOM 4624 H1 TIP3W2794 0.176 -21.241 -16.130 1.00 0.00 WT1 H
+ATOM 4625 H2 TIP3W2794 -1.207 -20.906 -16.848 1.00 0.00 WT1 H
+ATOM 4626 OH2 TIP3W2795 -7.005 -3.506 -14.253 1.00 0.00 WT1 O
+ATOM 4627 H1 TIP3W2795 -6.711 -2.708 -14.648 1.00 0.00 WT1 H
+ATOM 4628 H2 TIP3W2795 -6.209 -4.074 -14.286 1.00 0.00 WT1 H
+ATOM 4629 OH2 TIP3W2796 -3.750 7.866 -11.925 1.00 0.00 WT1 O
+ATOM 4630 H1 TIP3W2796 -4.004 7.279 -12.643 1.00 0.00 WT1 H
+ATOM 4631 H2 TIP3W2796 -2.861 7.514 -11.727 1.00 0.00 WT1 H
+ATOM 4632 OH2 TIP3W2798 -9.707 12.783 -13.702 1.00 0.00 WT1 O
+ATOM 4633 H1 TIP3W2798 -10.539 12.278 -13.701 1.00 0.00 WT1 H
+ATOM 4634 H2 TIP3W2798 -9.892 13.490 -14.278 1.00 0.00 WT1 H
+ATOM 4635 OH2 TIP3W2799 1.467 -7.084 13.361 1.00 0.00 WT1 O
+ATOM 4636 H1 TIP3W2799 1.192 -7.642 14.061 1.00 0.00 WT1 H
+ATOM 4637 H2 TIP3W2799 0.952 -7.324 12.599 1.00 0.00 WT1 H
+ATOM 4638 OH2 TIP3W2800 -3.549 -12.764 7.688 1.00 0.00 WT1 O
+ATOM 4639 H1 TIP3W2800 -4.144 -13.524 7.833 1.00 0.00 WT1 H
+ATOM 4640 H2 TIP3W2800 -3.404 -12.370 8.590 1.00 0.00 WT1 H
+ATOM 4641 OH2 TIP3W2801 -5.793 -22.200 6.589 1.00 0.00 WT1 O
+ATOM 4642 H1 TIP3W2801 -5.974 -22.863 7.289 1.00 0.00 WT1 H
+ATOM 4643 H2 TIP3W2801 -4.878 -22.442 6.266 1.00 0.00 WT1 H
+ATOM 4644 OH2 TIP3W2802 -19.825 2.454 -5.858 1.00 0.00 WT1 O
+ATOM 4645 H1 TIP3W2802 -20.435 1.931 -5.312 1.00 0.00 WT1 H
+ATOM 4646 H2 TIP3W2802 -19.938 2.084 -6.695 1.00 0.00 WT1 H
+ATOM 4647 OH2 TIP3W2803 3.300 2.828 15.033 1.00 0.00 WT1 O
+ATOM 4648 H1 TIP3W2803 3.058 1.920 14.906 1.00 0.00 WT1 H
+ATOM 4649 H2 TIP3W2803 3.901 2.899 15.812 1.00 0.00 WT1 H
+ATOM 4650 OH2 TIP3W2805 3.873 -1.994 21.630 1.00 0.00 WT1 O
+ATOM 4651 H1 TIP3W2805 3.299 -1.177 21.717 1.00 0.00 WT1 H
+ATOM 4652 H2 TIP3W2805 3.175 -2.636 21.444 1.00 0.00 WT1 H
+ATOM 4653 OH2 TIP3W2806 -11.120 -4.832 4.601 1.00 0.00 WT1 O
+ATOM 4654 H1 TIP3W2806 -10.910 -4.765 3.631 1.00 0.00 WT1 H
+ATOM 4655 H2 TIP3W2806 -11.495 -5.673 4.641 1.00 0.00 WT1 H
+ATOM 4656 OH2 TIP3W2807 11.614 5.086 22.517 1.00 0.00 WT1 O
+ATOM 4657 H1 TIP3W2807 11.157 4.715 21.762 1.00 0.00 WT1 H
+ATOM 4658 H2 TIP3W2807 12.556 5.102 22.246 1.00 0.00 WT1 H
+ATOM 4659 OH2 TIP3W2808 -1.188 -8.462 21.202 1.00 0.00 WT1 O
+ATOM 4660 H1 TIP3W2808 -1.078 -7.545 21.144 1.00 0.00 WT1 H
+ATOM 4661 H2 TIP3W2808 -1.839 -8.653 21.880 1.00 0.00 WT1 H
+ATOM 4662 OH2 TIP3W2815 -2.191 -22.837 -11.560 1.00 0.00 WT1 O
+ATOM 4663 H1 TIP3W2815 -1.568 -23.518 -11.338 1.00 0.00 WT1 H
+ATOM 4664 H2 TIP3W2815 -1.861 -22.094 -11.092 1.00 0.00 WT1 H
+ATOM 4665 OH2 TIP3W2818 2.341 -8.162 -7.197 1.00 0.00 WT1 O
+ATOM 4666 H1 TIP3W2818 3.200 -7.790 -7.259 1.00 0.00 WT1 H
+ATOM 4667 H2 TIP3W2818 2.267 -8.360 -6.215 1.00 0.00 WT1 H
+ATOM 4668 OH2 TIP3W2819 2.114 0.763 -12.449 1.00 0.00 WT1 O
+ATOM 4669 H1 TIP3W2819 2.598 0.027 -12.825 1.00 0.00 WT1 H
+ATOM 4670 H2 TIP3W2819 2.769 1.181 -11.852 1.00 0.00 WT1 H
+ATOM 4671 OH2 TIP3W2820 21.498 -18.286 -7.538 1.00 0.00 WT1 O
+ATOM 4672 H1 TIP3W2820 20.825 -18.845 -7.088 1.00 0.00 WT1 H
+ATOM 4673 H2 TIP3W2820 21.898 -17.808 -6.788 1.00 0.00 WT1 H
+ATOM 4674 OH2 TIP3W2822 2.094 8.709 -8.187 1.00 0.00 WT1 O
+ATOM 4675 H1 TIP3W2822 1.325 8.608 -7.594 1.00 0.00 WT1 H
+ATOM 4676 H2 TIP3W2822 1.842 8.228 -8.953 1.00 0.00 WT1 H
+ATOM 4677 OH2 TIP3W2823 14.570 6.377 -2.807 1.00 0.00 WT1 O
+ATOM 4678 H1 TIP3W2823 14.030 5.724 -3.237 1.00 0.00 WT1 H
+ATOM 4679 H2 TIP3W2823 15.017 6.762 -3.597 1.00 0.00 WT1 H
+ATOM 4680 OH2 TIP3W2824 -14.333 -18.324 11.624 1.00 0.00 WT1 O
+ATOM 4681 H1 TIP3W2824 -15.257 -18.544 11.524 1.00 0.00 WT1 H
+ATOM 4682 H2 TIP3W2824 -14.300 -17.736 12.457 1.00 0.00 WT1 H
+ATOM 4683 OH2 TIP3W2825 7.092 -1.527 11.233 1.00 0.00 WT1 O
+ATOM 4684 H1 TIP3W2825 7.880 -1.665 10.694 1.00 0.00 WT1 H
+ATOM 4685 H2 TIP3W2825 7.476 -1.179 12.011 1.00 0.00 WT1 H
+ATOM 4686 OH2 TIP3W2826 -6.738 -13.302 19.983 1.00 0.00 WT1 O
+ATOM 4687 H1 TIP3W2826 -6.612 -13.515 19.085 1.00 0.00 WT1 H
+ATOM 4688 H2 TIP3W2826 -7.400 -12.605 19.902 1.00 0.00 WT1 H
+ATOM 4689 OH2 TIP3W2827 -8.609 -9.755 10.228 1.00 0.00 WT1 O
+ATOM 4690 H1 TIP3W2827 -7.827 -9.667 9.603 1.00 0.00 WT1 H
+ATOM 4691 H2 TIP3W2827 -8.234 -10.284 10.996 1.00 0.00 WT1 H
+ATOM 4692 OH2 TIP3W2829 4.012 -9.773 18.754 1.00 0.00 WT1 O
+ATOM 4693 H1 TIP3W2829 3.955 -8.967 18.257 1.00 0.00 WT1 H
+ATOM 4694 H2 TIP3W2829 3.128 -10.233 18.691 1.00 0.00 WT1 H
+ATOM 4695 OH2 TIP3W2830 8.913 -6.658 20.341 1.00 0.00 WT1 O
+ATOM 4696 H1 TIP3W2830 8.734 -7.377 19.704 1.00 0.00 WT1 H
+ATOM 4697 H2 TIP3W2830 8.677 -5.829 19.898 1.00 0.00 WT1 H
+ATOM 4698 OH2 TIP3W2831 -8.702 -1.827 19.269 1.00 0.00 WT1 O
+ATOM 4699 H1 TIP3W2831 -8.003 -2.292 19.779 1.00 0.00 WT1 H
+ATOM 4700 H2 TIP3W2831 -8.157 -1.192 18.755 1.00 0.00 WT1 H
+ATOM 4701 OH2 TIP3W2832 -2.669 -5.856 -14.154 1.00 0.00 WT1 O
+ATOM 4702 H1 TIP3W2832 -2.466 -6.217 -15.054 1.00 0.00 WT1 H
+ATOM 4703 H2 TIP3W2832 -2.780 -4.899 -14.323 1.00 0.00 WT1 H
+ATOM 4704 OH2 TIP3W2838 -3.937 12.940 -20.539 1.00 0.00 WT1 O
+ATOM 4705 H1 TIP3W2838 -4.413 13.214 -19.681 1.00 0.00 WT1 H
+ATOM 4706 H2 TIP3W2838 -4.310 13.434 -21.264 1.00 0.00 WT1 H
+ATOM 4707 OH2 TIP3W2843 8.332 -5.592 -6.727 1.00 0.00 WT1 O
+ATOM 4708 H1 TIP3W2843 8.773 -6.369 -6.462 1.00 0.00 WT1 H
+ATOM 4709 H2 TIP3W2843 7.780 -5.345 -5.918 1.00 0.00 WT1 H
+ATOM 4710 OH2 TIP3W2844 -14.638 -4.403 14.251 1.00 0.00 WT1 O
+ATOM 4711 H1 TIP3W2844 -14.700 -5.018 13.499 1.00 0.00 WT1 H
+ATOM 4712 H2 TIP3W2844 -13.971 -3.772 14.075 1.00 0.00 WT1 H
+ATOM 4713 OH2 TIP3W2845 -8.584 -9.859 4.052 1.00 0.00 WT1 O
+ATOM 4714 H1 TIP3W2845 -8.587 -10.184 3.136 1.00 0.00 WT1 H
+ATOM 4715 H2 TIP3W2845 -9.339 -10.424 4.478 1.00 0.00 WT1 H
+ATOM 4716 OH2 TIP3W2846 -9.609 -13.624 19.847 1.00 0.00 WT1 O
+ATOM 4717 H1 TIP3W2846 -9.832 -13.362 18.884 1.00 0.00 WT1 H
+ATOM 4718 H2 TIP3W2846 -9.600 -12.777 20.353 1.00 0.00 WT1 H
+ATOM 4719 OH2 TIP3W2847 2.282 -8.015 20.491 1.00 0.00 WT1 O
+ATOM 4720 H1 TIP3W2847 1.467 -8.455 20.286 1.00 0.00 WT1 H
+ATOM 4721 H2 TIP3W2847 2.862 -8.717 20.840 1.00 0.00 WT1 H
+ATOM 4722 OH2 TIP3W2848 -0.052 5.593 12.170 1.00 0.00 WT1 O
+ATOM 4723 H1 TIP3W2848 -1.042 5.543 12.084 1.00 0.00 WT1 H
+ATOM 4724 H2 TIP3W2848 0.094 6.303 12.836 1.00 0.00 WT1 H
+ATOM 4725 OH2 TIP3W2853 -6.809 -0.228 18.087 1.00 0.00 WT1 O
+ATOM 4726 H1 TIP3W2853 -6.424 0.005 17.237 1.00 0.00 WT1 H
+ATOM 4727 H2 TIP3W2853 -6.333 0.359 18.729 1.00 0.00 WT1 H
+ATOM 4728 OH2 TIP3W2857 -6.859 -5.608 -11.723 1.00 0.00 WT1 O
+ATOM 4729 H1 TIP3W2857 -6.139 -6.246 -11.400 1.00 0.00 WT1 H
+ATOM 4730 H2 TIP3W2857 -6.918 -5.048 -10.978 1.00 0.00 WT1 H
+ATOM 4731 OH2 TIP3W2859 -9.062 -0.897 -18.444 1.00 0.00 WT1 O
+ATOM 4732 H1 TIP3W2859 -8.284 -0.394 -18.764 1.00 0.00 WT1 H
+ATOM 4733 H2 TIP3W2859 -9.796 -0.597 -18.932 1.00 0.00 WT1 H
+ATOM 4734 OH2 TIP3W2861 -14.545 12.124 -9.717 1.00 0.00 WT1 O
+ATOM 4735 H1 TIP3W2861 -14.847 13.081 -9.689 1.00 0.00 WT1 H
+ATOM 4736 H2 TIP3W2861 -14.112 12.088 -8.857 1.00 0.00 WT1 H
+ATOM 4737 OH2 TIP3W2865 -7.597 -2.355 4.491 1.00 0.00 WT1 O
+ATOM 4738 H1 TIP3W2865 -7.500 -3.084 3.961 1.00 0.00 WT1 H
+ATOM 4739 H2 TIP3W2865 -7.020 -2.567 5.187 1.00 0.00 WT1 H
+ATOM 4740 OH2 TIP3W2867 -0.912 2.805 6.942 1.00 0.00 WT1 O
+ATOM 4741 H1 TIP3W2867 -1.240 2.525 6.098 1.00 0.00 WT1 H
+ATOM 4742 H2 TIP3W2867 -0.835 2.036 7.469 1.00 0.00 WT1 H
+ATOM 4743 OH2 TIP3W2869 -1.275 9.301 22.331 1.00 0.00 WT1 O
+ATOM 4744 H1 TIP3W2869 -1.786 9.027 21.548 1.00 0.00 WT1 H
+ATOM 4745 H2 TIP3W2869 -0.399 9.391 21.953 1.00 0.00 WT1 H
+ATOM 4746 OH2 TIP3W2871 -10.140 9.949 22.852 1.00 0.00 WT1 O
+ATOM 4747 H1 TIP3W2871 -9.857 10.556 22.158 1.00 0.00 WT1 H
+ATOM 4748 H2 TIP3W2871 -10.875 9.422 22.493 1.00 0.00 WT1 H
+ATOM 4749 OH2 TIP3W2874 -7.473 -5.779 21.538 1.00 0.00 WT1 O
+ATOM 4750 H1 TIP3W2874 -7.679 -5.710 22.460 1.00 0.00 WT1 H
+ATOM 4751 H2 TIP3W2874 -8.310 -5.432 21.089 1.00 0.00 WT1 H
+ATOM 4752 OH2 TIP3W2877 2.271 -3.776 -21.455 1.00 0.00 WT1 O
+ATOM 4753 H1 TIP3W2877 1.400 -3.491 -21.882 1.00 0.00 WT1 H
+ATOM 4754 H2 TIP3W2877 2.573 -2.866 -21.080 1.00 0.00 WT1 H
+ATOM 4755 OH2 TIP3W2878 -0.724 -4.723 -21.500 1.00 0.00 WT1 O
+ATOM 4756 H1 TIP3W2878 -0.675 -3.716 -21.481 1.00 0.00 WT1 H
+ATOM 4757 H2 TIP3W2878 -1.609 -4.952 -21.209 1.00 0.00 WT1 H
+ATOM 4758 OH2 TIP3W2880 -0.070 12.946 -9.192 1.00 0.00 WT1 O
+ATOM 4759 H1 TIP3W2880 -0.346 13.795 -9.006 1.00 0.00 WT1 H
+ATOM 4760 H2 TIP3W2880 0.745 12.817 -8.603 1.00 0.00 WT1 H
+ATOM 4761 OH2 TIP3W2882 7.790 3.609 -4.873 1.00 0.00 WT1 O
+ATOM 4762 H1 TIP3W2882 7.956 2.780 -5.310 1.00 0.00 WT1 H
+ATOM 4763 H2 TIP3W2882 6.904 3.667 -5.102 1.00 0.00 WT1 H
+ATOM 4764 OH2 TIP3W2883 -11.408 10.256 -7.335 1.00 0.00 WT1 O
+ATOM 4765 H1 TIP3W2883 -11.080 10.127 -8.209 1.00 0.00 WT1 H
+ATOM 4766 H2 TIP3W2883 -11.153 9.460 -6.909 1.00 0.00 WT1 H
+ATOM 4767 OH2 TIP3W2884 -4.772 3.703 -12.493 1.00 0.00 WT1 O
+ATOM 4768 H1 TIP3W2884 -4.298 3.050 -11.964 1.00 0.00 WT1 H
+ATOM 4769 H2 TIP3W2884 -5.243 4.262 -11.841 1.00 0.00 WT1 H
+ATOM 4770 OH2 TIP3W2885 -1.267 -10.414 13.084 1.00 0.00 WT1 O
+ATOM 4771 H1 TIP3W2885 -0.960 -11.298 12.618 1.00 0.00 WT1 H
+ATOM 4772 H2 TIP3W2885 -0.456 -9.856 13.176 1.00 0.00 WT1 H
+ATOM 4773 OH2 TIP3W2887 -6.798 19.083 11.775 1.00 0.00 WT1 O
+ATOM 4774 H1 TIP3W2887 -6.980 18.544 11.033 1.00 0.00 WT1 H
+ATOM 4775 H2 TIP3W2887 -7.604 19.701 11.749 1.00 0.00 WT1 H
+ATOM 4776 OH2 TIP3W2888 10.370 7.574 14.454 1.00 0.00 WT1 O
+ATOM 4777 H1 TIP3W2888 10.294 8.374 13.929 1.00 0.00 WT1 H
+ATOM 4778 H2 TIP3W2888 11.245 7.342 14.293 1.00 0.00 WT1 H
+ATOM 4779 OH2 TIP3W2890 -14.213 10.511 16.800 1.00 0.00 WT1 O
+ATOM 4780 H1 TIP3W2890 -14.947 10.910 16.254 1.00 0.00 WT1 H
+ATOM 4781 H2 TIP3W2890 -14.585 10.685 17.696 1.00 0.00 WT1 H
+ATOM 4782 OH2 TIP3W2891 -9.295 7.107 7.398 1.00 0.00 WT1 O
+ATOM 4783 H1 TIP3W2891 -9.070 7.076 8.332 1.00 0.00 WT1 H
+ATOM 4784 H2 TIP3W2891 -9.712 7.986 7.263 1.00 0.00 WT1 H
+ATOM 4785 OH2 TIP3W2893 2.443 6.621 14.500 1.00 0.00 WT1 O
+ATOM 4786 H1 TIP3W2893 2.912 6.535 15.348 1.00 0.00 WT1 H
+ATOM 4787 H2 TIP3W2893 1.560 6.464 14.739 1.00 0.00 WT1 H
+ATOM 4788 OH2 TIP3W2897 4.617 3.192 22.342 1.00 0.00 WT1 O
+ATOM 4789 H1 TIP3W2897 5.098 2.880 23.126 1.00 0.00 WT1 H
+ATOM 4790 H2 TIP3W2897 3.670 2.916 22.399 1.00 0.00 WT1 H
+ATOM 4791 OH2 TIP3W2899 -14.448 16.535 -4.124 1.00 0.00 WT1 O
+ATOM 4792 H1 TIP3W2899 -14.143 16.423 -3.237 1.00 0.00 WT1 H
+ATOM 4793 H2 TIP3W2899 -14.329 15.619 -4.573 1.00 0.00 WT1 H
+ATOM 4794 OH2 TIP3W2900 7.838 11.971 -17.369 1.00 0.00 WT1 O
+ATOM 4795 H1 TIP3W2900 8.586 11.457 -16.979 1.00 0.00 WT1 H
+ATOM 4796 H2 TIP3W2900 7.948 11.835 -18.351 1.00 0.00 WT1 H
+ATOM 4797 OH2 TIP3W2901 -16.700 10.851 -7.385 1.00 0.00 WT1 O
+ATOM 4798 H1 TIP3W2901 -16.465 11.214 -8.235 1.00 0.00 WT1 H
+ATOM 4799 H2 TIP3W2901 -17.097 11.543 -6.906 1.00 0.00 WT1 H
+ATOM 4800 OH2 TIP3W2902 18.385 17.168 -10.255 1.00 0.00 WT1 O
+ATOM 4801 H1 TIP3W2902 18.098 17.013 -9.400 1.00 0.00 WT1 H
+ATOM 4802 H2 TIP3W2902 17.656 17.685 -10.575 1.00 0.00 WT1 H
+ATOM 4803 OH2 TIP3W2903 -17.031 -0.958 -20.570 1.00 0.00 WT1 O
+ATOM 4804 H1 TIP3W2903 -16.628 -0.108 -20.477 1.00 0.00 WT1 H
+ATOM 4805 H2 TIP3W2903 -16.550 -1.511 -19.979 1.00 0.00 WT1 H
+ATOM 4806 OH2 TIP3W2905 -8.920 23.522 -7.473 1.00 0.00 WT1 O
+ATOM 4807 H1 TIP3W2905 -9.402 22.927 -8.104 1.00 0.00 WT1 H
+ATOM 4808 H2 TIP3W2905 -9.574 23.553 -6.710 1.00 0.00 WT1 H
+ATOM 4809 OH2 TIP3W2906 -18.553 5.715 8.453 1.00 0.00 WT1 O
+ATOM 4810 H1 TIP3W2906 -18.797 6.623 8.487 1.00 0.00 WT1 H
+ATOM 4811 H2 TIP3W2906 -17.974 5.763 7.700 1.00 0.00 WT1 H
+ATOM 4812 OH2 TIP3W2907 2.210 -3.149 17.148 1.00 0.00 WT1 O
+ATOM 4813 H1 TIP3W2907 1.332 -3.345 16.868 1.00 0.00 WT1 H
+ATOM 4814 H2 TIP3W2907 2.215 -2.146 17.112 1.00 0.00 WT1 H
+ATOM 4815 OH2 TIP3W2908 1.331 16.661 -9.262 1.00 0.00 WT1 O
+ATOM 4816 H1 TIP3W2908 1.840 16.843 -10.107 1.00 0.00 WT1 H
+ATOM 4817 H2 TIP3W2908 1.920 16.910 -8.505 1.00 0.00 WT1 H
+ATOM 4818 OH2 TIP3W2909 -8.178 6.588 13.528 1.00 0.00 WT1 O
+ATOM 4819 H1 TIP3W2909 -8.790 7.300 13.312 1.00 0.00 WT1 H
+ATOM 4820 H2 TIP3W2909 -8.754 5.824 13.504 1.00 0.00 WT1 H
+ATOM 4821 OH2 TIP3W2911 7.188 0.345 19.020 1.00 0.00 WT1 O
+ATOM 4822 H1 TIP3W2911 7.602 -0.040 18.260 1.00 0.00 WT1 H
+ATOM 4823 H2 TIP3W2911 6.626 -0.374 19.311 1.00 0.00 WT1 H
+ATOM 4824 OH2 TIP3W2913 -9.181 -14.359 16.988 1.00 0.00 WT1 O
+ATOM 4825 H1 TIP3W2913 -9.634 -15.139 16.767 1.00 0.00 WT1 H
+ATOM 4826 H2 TIP3W2913 -8.286 -14.465 16.617 1.00 0.00 WT1 H
+ATOM 4827 OH2 TIP3W2915 3.361 23.084 14.283 1.00 0.00 WT1 O
+ATOM 4828 H1 TIP3W2915 4.213 23.530 14.488 1.00 0.00 WT1 H
+ATOM 4829 H2 TIP3W2915 3.648 22.409 13.653 1.00 0.00 WT1 H
+ATOM 4830 OH2 TIP3W2918 -10.054 2.798 -19.268 1.00 0.00 WT1 O
+ATOM 4831 H1 TIP3W2918 -9.267 2.613 -19.781 1.00 0.00 WT1 H
+ATOM 4832 H2 TIP3W2918 -10.022 3.734 -19.082 1.00 0.00 WT1 H
+ATOM 4833 OH2 TIP3W2919 0.927 -0.239 -21.638 1.00 0.00 WT1 O
+ATOM 4834 H1 TIP3W2919 0.271 -0.633 -22.314 1.00 0.00 WT1 H
+ATOM 4835 H2 TIP3W2919 1.813 -0.630 -21.890 1.00 0.00 WT1 H
+ATOM 4836 OH2 TIP3W2920 -7.343 29.344 -12.795 1.00 0.00 WT1 O
+ATOM 4837 H1 TIP3W2920 -7.284 28.677 -12.095 1.00 0.00 WT1 H
+ATOM 4838 H2 TIP3W2920 -7.817 30.060 -12.361 1.00 0.00 WT1 H
+ATOM 4839 OH2 TIP3W2922 -11.072 -0.172 -6.451 1.00 0.00 WT1 O
+ATOM 4840 H1 TIP3W2922 -11.679 -0.712 -6.944 1.00 0.00 WT1 H
+ATOM 4841 H2 TIP3W2922 -10.199 -0.583 -6.468 1.00 0.00 WT1 H
+ATOM 4842 OH2 TIP3W2923 7.716 2.283 -10.979 1.00 0.00 WT1 O
+ATOM 4843 H1 TIP3W2923 7.982 1.340 -11.046 1.00 0.00 WT1 H
+ATOM 4844 H2 TIP3W2923 6.764 2.258 -11.212 1.00 0.00 WT1 H
+ATOM 4845 OH2 TIP3W2924 4.876 21.082 12.364 1.00 0.00 WT1 O
+ATOM 4846 H1 TIP3W2924 5.027 21.435 11.482 1.00 0.00 WT1 H
+ATOM 4847 H2 TIP3W2924 5.141 20.187 12.273 1.00 0.00 WT1 H
+ATOM 4848 OH2 TIP3W2925 -6.340 6.138 -11.294 1.00 0.00 WT1 O
+ATOM 4849 H1 TIP3W2925 -7.115 6.572 -11.707 1.00 0.00 WT1 H
+ATOM 4850 H2 TIP3W2925 -5.967 6.850 -10.756 1.00 0.00 WT1 H
+ATOM 4851 OH2 TIP3W2926 -9.762 -5.595 2.280 1.00 0.00 WT1 O
+ATOM 4852 H1 TIP3W2926 -8.891 -5.335 2.623 1.00 0.00 WT1 H
+ATOM 4853 H2 TIP3W2926 -9.686 -6.524 2.141 1.00 0.00 WT1 H
+ATOM 4854 OH2 TIP3W2927 -2.226 6.500 -14.026 1.00 0.00 WT1 O
+ATOM 4855 H1 TIP3W2927 -2.916 6.100 -14.553 1.00 0.00 WT1 H
+ATOM 4856 H2 TIP3W2927 -1.390 6.298 -14.549 1.00 0.00 WT1 H
+ATOM 4857 OH2 TIP3W2928 -12.113 7.658 2.819 1.00 0.00 WT1 O
+ATOM 4858 H1 TIP3W2928 -12.062 7.869 1.875 1.00 0.00 WT1 H
+ATOM 4859 H2 TIP3W2928 -12.656 6.878 2.806 1.00 0.00 WT1 H
+ATOM 4860 OH2 TIP3W2929 18.777 13.600 17.048 1.00 0.00 WT1 O
+ATOM 4861 H1 TIP3W2929 17.872 13.312 16.929 1.00 0.00 WT1 H
+ATOM 4862 H2 TIP3W2929 19.148 13.133 16.310 1.00 0.00 WT1 H
+ATOM 4863 OH2 TIP3W2930 0.753 7.382 10.167 1.00 0.00 WT1 O
+ATOM 4864 H1 TIP3W2930 1.496 7.142 9.558 1.00 0.00 WT1 H
+ATOM 4865 H2 TIP3W2930 0.529 6.483 10.586 1.00 0.00 WT1 H
+ATOM 4866 OH2 TIP3W2931 -9.407 27.097 16.975 1.00 0.00 WT1 O
+ATOM 4867 H1 TIP3W2931 -8.585 27.271 16.537 1.00 0.00 WT1 H
+ATOM 4868 H2 TIP3W2931 -9.430 26.155 17.140 1.00 0.00 WT1 H
+ATOM 4869 OH2 TIP3W2932 -0.579 14.164 6.645 1.00 0.00 WT1 O
+ATOM 4870 H1 TIP3W2932 -0.706 13.177 6.910 1.00 0.00 WT1 H
+ATOM 4871 H2 TIP3W2932 -1.327 14.282 6.092 1.00 0.00 WT1 H
+ATOM 4872 OH2 TIP3W2933 -6.960 14.446 18.222 1.00 0.00 WT1 O
+ATOM 4873 H1 TIP3W2933 -6.575 14.058 19.062 1.00 0.00 WT1 H
+ATOM 4874 H2 TIP3W2933 -6.329 14.215 17.545 1.00 0.00 WT1 H
+ATOM 4875 OH2 TIP3W2934 9.223 13.128 12.991 1.00 0.00 WT1 O
+ATOM 4876 H1 TIP3W2934 9.717 13.979 13.301 1.00 0.00 WT1 H
+ATOM 4877 H2 TIP3W2934 8.613 13.479 12.321 1.00 0.00 WT1 H
+ATOM 4878 OH2 TIP3W2938 7.851 18.166 -21.920 1.00 0.00 WT1 O
+ATOM 4879 H1 TIP3W2938 7.584 19.077 -22.043 1.00 0.00 WT1 H
+ATOM 4880 H2 TIP3W2938 8.649 18.095 -22.525 1.00 0.00 WT1 H
+ATOM 4881 OH2 TIP3W2941 10.137 6.081 -9.729 1.00 0.00 WT1 O
+ATOM 4882 H1 TIP3W2941 9.390 6.183 -10.321 1.00 0.00 WT1 H
+ATOM 4883 H2 TIP3W2941 10.643 5.406 -10.185 1.00 0.00 WT1 H
+ATOM 4884 OH2 TIP3W2943 -9.598 9.443 -4.838 1.00 0.00 WT1 O
+ATOM 4885 H1 TIP3W2943 -9.295 9.230 -5.719 1.00 0.00 WT1 H
+ATOM 4886 H2 TIP3W2943 -9.837 8.578 -4.499 1.00 0.00 WT1 H
+ATOM 4887 OH2 TIP3W2944 3.229 -1.424 -13.937 1.00 0.00 WT1 O
+ATOM 4888 H1 TIP3W2944 4.042 -1.375 -14.465 1.00 0.00 WT1 H
+ATOM 4889 H2 TIP3W2944 2.634 -1.473 -14.721 1.00 0.00 WT1 H
+ATOM 4890 OH2 TIP3W2945 -10.387 20.677 -16.608 1.00 0.00 WT1 O
+ATOM 4891 H1 TIP3W2945 -11.195 20.248 -16.256 1.00 0.00 WT1 H
+ATOM 4892 H2 TIP3W2945 -10.154 21.449 -15.979 1.00 0.00 WT1 H
+ATOM 4893 OH2 TIP3W2946 7.934 11.838 -3.994 1.00 0.00 WT1 O
+ATOM 4894 H1 TIP3W2946 8.205 11.502 -4.841 1.00 0.00 WT1 H
+ATOM 4895 H2 TIP3W2946 7.003 12.036 -4.140 1.00 0.00 WT1 H
+ATOM 4896 OH2 TIP3W2947 -0.094 16.958 1.679 1.00 0.00 WT1 O
+ATOM 4897 H1 TIP3W2947 0.085 16.582 2.530 1.00 0.00 WT1 H
+ATOM 4898 H2 TIP3W2947 -0.738 17.665 1.739 1.00 0.00 WT1 H
+ATOM 4899 OH2 TIP3W2948 6.032 17.450 18.369 1.00 0.00 WT1 O
+ATOM 4900 H1 TIP3W2948 5.581 18.156 18.898 1.00 0.00 WT1 H
+ATOM 4901 H2 TIP3W2948 6.875 17.832 18.052 1.00 0.00 WT1 H
+ATOM 4902 OH2 TIP3W2949 -5.840 19.043 15.750 1.00 0.00 WT1 O
+ATOM 4903 H1 TIP3W2949 -4.988 18.739 15.477 1.00 0.00 WT1 H
+ATOM 4904 H2 TIP3W2949 -5.957 18.568 16.586 1.00 0.00 WT1 H
+ATOM 4905 OH2 TIP3W2952 -13.689 14.271 19.112 1.00 0.00 WT1 O
+ATOM 4906 H1 TIP3W2952 -14.684 14.435 19.289 1.00 0.00 WT1 H
+ATOM 4907 H2 TIP3W2952 -13.589 13.977 18.136 1.00 0.00 WT1 H
+ATOM 4908 OH2 TIP3W2953 2.680 15.565 10.025 1.00 0.00 WT1 O
+ATOM 4909 H1 TIP3W2953 2.660 16.238 10.686 1.00 0.00 WT1 H
+ATOM 4910 H2 TIP3W2953 2.210 15.932 9.260 1.00 0.00 WT1 H
+ATOM 4911 OH2 TIP3W2955 3.700 16.913 20.733 1.00 0.00 WT1 O
+ATOM 4912 H1 TIP3W2955 3.342 16.145 21.237 1.00 0.00 WT1 H
+ATOM 4913 H2 TIP3W2955 3.371 16.790 19.804 1.00 0.00 WT1 H
+ATOM 4914 OH2 TIP3W2960 -1.212 13.106 -20.121 1.00 0.00 WT1 O
+ATOM 4915 H1 TIP3W2960 -0.865 14.027 -20.169 1.00 0.00 WT1 H
+ATOM 4916 H2 TIP3W2960 -2.154 13.294 -20.323 1.00 0.00 WT1 H
+ATOM 4917 OH2 TIP3W2961 -8.037 15.113 -19.194 1.00 0.00 WT1 O
+ATOM 4918 H1 TIP3W2961 -7.761 15.863 -19.696 1.00 0.00 WT1 H
+ATOM 4919 H2 TIP3W2961 -7.527 15.122 -18.316 1.00 0.00 WT1 H
+ATOM 4920 OH2 TIP3W2963 -1.207 7.213 -16.662 1.00 0.00 WT1 O
+ATOM 4921 H1 TIP3W2963 -2.160 7.155 -16.589 1.00 0.00 WT1 H
+ATOM 4922 H2 TIP3W2963 -1.088 7.072 -17.579 1.00 0.00 WT1 H
+ATOM 4923 OH2 TIP3W2964 -7.014 28.250 -15.763 1.00 0.00 WT1 O
+ATOM 4924 H1 TIP3W2964 -6.290 27.876 -15.220 1.00 0.00 WT1 H
+ATOM 4925 H2 TIP3W2964 -6.665 28.337 -16.659 1.00 0.00 WT1 H
+ATOM 4926 OH2 TIP3W2965 -10.455 10.476 3.641 1.00 0.00 WT1 O
+ATOM 4927 H1 TIP3W2965 -10.407 11.302 3.145 1.00 0.00 WT1 H
+ATOM 4928 H2 TIP3W2965 -11.197 10.003 3.243 1.00 0.00 WT1 H
+ATOM 4929 OH2 TIP3W2966 2.120 12.845 -7.589 1.00 0.00 WT1 O
+ATOM 4930 H1 TIP3W2966 2.639 12.045 -7.446 1.00 0.00 WT1 H
+ATOM 4931 H2 TIP3W2966 2.740 13.587 -7.410 1.00 0.00 WT1 H
+ATOM 4932 OH2 TIP3W2967 -2.710 10.971 -12.465 1.00 0.00 WT1 O
+ATOM 4933 H1 TIP3W2967 -2.867 11.870 -12.134 1.00 0.00 WT1 H
+ATOM 4934 H2 TIP3W2967 -3.074 10.419 -11.783 1.00 0.00 WT1 H
+ATOM 4935 OH2 TIP3W2969 3.711 14.683 -6.028 1.00 0.00 WT1 O
+ATOM 4936 H1 TIP3W2969 4.228 14.308 -5.314 1.00 0.00 WT1 H
+ATOM 4937 H2 TIP3W2969 4.085 15.579 -6.163 1.00 0.00 WT1 H
+ATOM 4938 OH2 TIP3W2970 3.962 20.879 16.800 1.00 0.00 WT1 O
+ATOM 4939 H1 TIP3W2970 3.273 21.149 16.094 1.00 0.00 WT1 H
+ATOM 4940 H2 TIP3W2970 4.344 21.737 17.077 1.00 0.00 WT1 H
+ATOM 4941 OH2 TIP3W2973 10.093 29.833 22.854 1.00 0.00 WT1 O
+ATOM 4942 H1 TIP3W2973 10.802 30.530 22.947 1.00 0.00 WT1 H
+ATOM 4943 H2 TIP3W2973 9.857 29.706 21.972 1.00 0.00 WT1 H
+ATOM 4944 OH2 TIP3W2975 13.076 7.851 13.429 1.00 0.00 WT1 O
+ATOM 4945 H1 TIP3W2975 13.441 7.570 14.306 1.00 0.00 WT1 H
+ATOM 4946 H2 TIP3W2975 13.208 8.848 13.485 1.00 0.00 WT1 H
+ATOM 4947 OH2 TIP3W2978 -8.534 24.766 21.134 1.00 0.00 WT1 O
+ATOM 4948 H1 TIP3W2978 -9.326 25.284 21.267 1.00 0.00 WT1 H
+ATOM 4949 H2 TIP3W2978 -8.829 24.002 20.572 1.00 0.00 WT1 H
+ATOM 4950 OH2 TIP3W2979 -5.440 8.316 -9.665 1.00 0.00 WT1 O
+ATOM 4951 H1 TIP3W2979 -4.711 8.375 -10.305 1.00 0.00 WT1 H
+ATOM 4952 H2 TIP3W2979 -6.050 9.001 -9.992 1.00 0.00 WT1 H
+ATOM 4953 OH2 TIP3W2981 17.677 24.775 -18.893 1.00 0.00 WT1 O
+ATOM 4954 H1 TIP3W2981 17.752 25.480 -18.284 1.00 0.00 WT1 H
+ATOM 4955 H2 TIP3W2981 16.714 24.557 -18.745 1.00 0.00 WT1 H
+ATOM 4956 OH2 TIP3W2983 3.611 13.979 -17.253 1.00 0.00 WT1 O
+ATOM 4957 H1 TIP3W2983 2.906 14.627 -17.123 1.00 0.00 WT1 H
+ATOM 4958 H2 TIP3W2983 3.629 13.582 -16.366 1.00 0.00 WT1 H
+ATOM 4959 OH2 TIP3W2984 9.077 27.224 -21.856 1.00 0.00 WT1 O
+ATOM 4960 H1 TIP3W2984 9.238 27.756 -22.647 1.00 0.00 WT1 H
+ATOM 4961 H2 TIP3W2984 9.066 27.938 -21.122 1.00 0.00 WT1 H
+ATOM 4962 OH2 TIP3W2986 -5.214 13.406 -18.167 1.00 0.00 WT1 O
+ATOM 4963 H1 TIP3W2986 -4.456 13.315 -17.544 1.00 0.00 WT1 H
+ATOM 4964 H2 TIP3W2986 -5.834 14.055 -17.654 1.00 0.00 WT1 H
+ATOM 4965 OH2 TIP3W2987 -9.321 22.990 1.860 1.00 0.00 WT1 O
+ATOM 4966 H1 TIP3W2987 -8.879 22.356 2.460 1.00 0.00 WT1 H
+ATOM 4967 H2 TIP3W2987 -8.734 23.789 1.837 1.00 0.00 WT1 H
+ATOM 4968 OH2 TIP3W2989 16.535 13.302 -7.180 1.00 0.00 WT1 O
+ATOM 4969 H1 TIP3W2989 15.823 13.206 -6.518 1.00 0.00 WT1 H
+ATOM 4970 H2 TIP3W2989 16.045 13.625 -7.945 1.00 0.00 WT1 H
+ATOM 4971 OH2 TIP3W2990 2.208 21.760 -3.708 1.00 0.00 WT1 O
+ATOM 4972 H1 TIP3W2990 2.787 22.038 -4.420 1.00 0.00 WT1 H
+ATOM 4973 H2 TIP3W2990 2.487 22.371 -2.986 1.00 0.00 WT1 H
+ATOM 4974 OH2 TIP3W2991 5.499 10.998 2.387 1.00 0.00 WT1 O
+ATOM 4975 H1 TIP3W2991 4.814 10.493 2.883 1.00 0.00 WT1 H
+ATOM 4976 H2 TIP3W2991 5.202 11.038 1.518 1.00 0.00 WT1 H
+ATOM 4977 OH2 TIP3W2992 -12.563 16.465 -1.844 1.00 0.00 WT1 O
+ATOM 4978 H1 TIP3W2992 -12.014 16.649 -1.102 1.00 0.00 WT1 H
+ATOM 4979 H2 TIP3W2992 -13.068 17.265 -1.896 1.00 0.00 WT1 H
+ATOM 4980 OH2 TIP3W2993 -10.029 15.949 1.688 1.00 0.00 WT1 O
+ATOM 4981 H1 TIP3W2993 -10.535 16.790 1.717 1.00 0.00 WT1 H
+ATOM 4982 H2 TIP3W2993 -9.643 16.080 0.847 1.00 0.00 WT1 H
+ATOM 4983 OH2 TIP3W2994 11.671 12.018 20.584 1.00 0.00 WT1 O
+ATOM 4984 H1 TIP3W2994 11.179 11.473 21.264 1.00 0.00 WT1 H
+ATOM 4985 H2 TIP3W2994 12.539 12.171 20.981 1.00 0.00 WT1 H
+ATOM 4986 OH2 TIP3W2996 -3.088 16.791 20.689 1.00 0.00 WT1 O
+ATOM 4987 H1 TIP3W2996 -2.396 16.251 20.997 1.00 0.00 WT1 H
+ATOM 4988 H2 TIP3W2996 -3.753 16.587 21.377 1.00 0.00 WT1 H
+ATOM 4989 OH2 TIP3W3002 7.386 21.151 -21.754 1.00 0.00 WT1 O
+ATOM 4990 H1 TIP3W3002 7.805 21.336 -22.635 1.00 0.00 WT1 H
+ATOM 4991 H2 TIP3W3002 7.463 22.010 -21.267 1.00 0.00 WT1 H
+ATOM 4992 OH2 TIP3W3007 -3.738 28.056 0.413 1.00 0.00 WT1 O
+ATOM 4993 H1 TIP3W3007 -4.420 28.024 1.148 1.00 0.00 WT1 H
+ATOM 4994 H2 TIP3W3007 -4.048 27.354 -0.209 1.00 0.00 WT1 H
+ATOM 4995 OH2 TIP3W3008 1.921 28.254 3.193 1.00 0.00 WT1 O
+ATOM 4996 H1 TIP3W3008 1.687 27.332 2.897 1.00 0.00 WT1 H
+ATOM 4997 H2 TIP3W3008 1.981 28.640 2.294 1.00 0.00 WT1 H
+ATOM 4998 OH2 TIP3W3009 -2.521 19.463 -2.653 1.00 0.00 WT1 O
+ATOM 4999 H1 TIP3W3009 -1.513 19.511 -2.554 1.00 0.00 WT1 H
+ATOM 5000 H2 TIP3W3009 -2.662 18.696 -3.210 1.00 0.00 WT1 H
+ATOM 5001 OH2 TIP3W3010 -13.570 -28.321 -14.380 1.00 0.00 WT1 O
+ATOM 5002 H1 TIP3W3010 -13.209 -27.406 -14.381 1.00 0.00 WT1 H
+ATOM 5003 H2 TIP3W3010 -13.860 -28.666 -13.533 1.00 0.00 WT1 H
+ATOM 5004 OH2 TIP3W3012 -3.131 -31.151 -6.377 1.00 0.00 WT1 O
+ATOM 5005 H1 TIP3W3012 -2.610 -30.660 -6.939 1.00 0.00 WT1 H
+ATOM 5006 H2 TIP3W3012 -4.016 -30.766 -6.475 1.00 0.00 WT1 H
+ATOM 5007 OH2 TIP3W3013 -1.252 15.926 -23.140 1.00 0.00 WT1 O
+ATOM 5008 H1 TIP3W3013 -0.487 15.241 -23.094 1.00 0.00 WT1 H
+ATOM 5009 H2 TIP3W3013 -1.432 16.067 -22.144 1.00 0.00 WT1 H
+ATOM 5010 OH2 TIP3W3015 -10.163 18.450 11.261 1.00 0.00 WT1 O
+ATOM 5011 H1 TIP3W3015 -10.730 17.743 11.456 1.00 0.00 WT1 H
+ATOM 5012 H2 TIP3W3015 -9.410 18.082 10.765 1.00 0.00 WT1 H
+ATOM 5013 OH2 TIP3W3016 -10.121 -27.538 3.070 1.00 0.00 WT1 O
+ATOM 5014 H1 TIP3W3016 -9.856 -27.618 2.156 1.00 0.00 WT1 H
+ATOM 5015 H2 TIP3W3016 -9.364 -27.833 3.534 1.00 0.00 WT1 H
+ATOM 5016 OH2 TIP3W3017 9.667 16.374 14.165 1.00 0.00 WT1 O
+ATOM 5017 H1 TIP3W3017 9.607 15.987 13.234 1.00 0.00 WT1 H
+ATOM 5018 H2 TIP3W3017 10.642 16.239 14.389 1.00 0.00 WT1 H
+ATOM 5019 OH2 TIP3W3018 -14.350 28.678 -14.728 1.00 0.00 WT1 O
+ATOM 5020 H1 TIP3W3018 -14.902 29.095 -15.437 1.00 0.00 WT1 H
+ATOM 5021 H2 TIP3W3018 -13.485 28.480 -15.203 1.00 0.00 WT1 H
+ATOM 5022 OH2 TIP3W3019 -13.345 21.695 16.266 1.00 0.00 WT1 O
+ATOM 5023 H1 TIP3W3019 -12.892 20.973 15.816 1.00 0.00 WT1 H
+ATOM 5024 H2 TIP3W3019 -12.617 21.873 16.935 1.00 0.00 WT1 H
+ATOM 5025 OH2 TIP3W3022 -0.780 14.463 18.405 1.00 0.00 WT1 O
+ATOM 5026 H1 TIP3W3022 -0.256 14.197 17.645 1.00 0.00 WT1 H
+ATOM 5027 H2 TIP3W3022 -1.406 13.735 18.527 1.00 0.00 WT1 H
+ATOM 5028 OH2 TIP3W3027 -6.383 -30.205 -2.461 1.00 0.00 WT1 O
+ATOM 5029 H1 TIP3W3027 -6.863 -30.507 -3.251 1.00 0.00 WT1 H
+ATOM 5030 H2 TIP3W3027 -5.439 -30.363 -2.701 1.00 0.00 WT1 H
+ATOM 5031 OH2 TIP3W3028 -1.133 19.169 -5.756 1.00 0.00 WT1 O
+ATOM 5032 H1 TIP3W3028 -1.922 18.798 -6.181 1.00 0.00 WT1 H
+ATOM 5033 H2 TIP3W3028 -1.031 20.090 -6.197 1.00 0.00 WT1 H
+ATOM 5034 OH2 TIP3W3029 -17.131 17.111 -13.919 1.00 0.00 WT1 O
+ATOM 5035 H1 TIP3W3029 -17.455 16.866 -13.024 1.00 0.00 WT1 H
+ATOM 5036 H2 TIP3W3029 -17.858 17.527 -14.321 1.00 0.00 WT1 H
+ATOM 5037 OH2 TIP3W3030 6.187 -23.130 0.011 1.00 0.00 WT1 O
+ATOM 5038 H1 TIP3W3030 6.958 -23.761 -0.115 1.00 0.00 WT1 H
+ATOM 5039 H2 TIP3W3030 6.457 -22.382 -0.578 1.00 0.00 WT1 H
+ATOM 5040 OH2 TIP3W3031 6.608 12.313 10.878 1.00 0.00 WT1 O
+ATOM 5041 H1 TIP3W3031 6.113 12.286 11.758 1.00 0.00 WT1 H
+ATOM 5042 H2 TIP3W3031 7.337 11.677 11.091 1.00 0.00 WT1 H
+ATOM 5043 OH2 TIP3W3032 -5.474 21.599 5.905 1.00 0.00 WT1 O
+ATOM 5044 H1 TIP3W3032 -4.932 22.157 6.501 1.00 0.00 WT1 H
+ATOM 5045 H2 TIP3W3032 -5.744 20.816 6.458 1.00 0.00 WT1 H
+ATOM 5046 OH2 TIP3W3033 0.336 -27.238 15.902 1.00 0.00 WT1 O
+ATOM 5047 H1 TIP3W3033 0.633 -27.746 15.090 1.00 0.00 WT1 H
+ATOM 5048 H2 TIP3W3033 -0.022 -26.454 15.420 1.00 0.00 WT1 H
+ATOM 5049 OH2 TIP3W3034 -1.198 31.301 0.115 1.00 0.00 WT1 O
+ATOM 5050 H1 TIP3W3034 -0.281 31.608 0.173 1.00 0.00 WT1 H
+ATOM 5051 H2 TIP3W3034 -1.745 32.153 0.114 1.00 0.00 WT1 H
+ATOM 5052 OH2 TIP3W3037 -4.246 -21.023 10.801 1.00 0.00 WT1 O
+ATOM 5053 H1 TIP3W3037 -5.056 -21.208 10.259 1.00 0.00 WT1 H
+ATOM 5054 H2 TIP3W3037 -3.515 -21.519 10.365 1.00 0.00 WT1 H
+ATOM 5055 OH2 TIP3W3040 -3.526 24.423 12.310 1.00 0.00 WT1 O
+ATOM 5056 H1 TIP3W3040 -3.339 24.830 11.416 1.00 0.00 WT1 H
+ATOM 5057 H2 TIP3W3040 -4.021 25.152 12.743 1.00 0.00 WT1 H
+ATOM 5058 OH2 TIP3W3046 9.797 -24.384 -5.803 1.00 0.00 WT1 O
+ATOM 5059 H1 TIP3W3046 9.347 -24.897 -6.571 1.00 0.00 WT1 H
+ATOM 5060 H2 TIP3W3046 9.080 -24.045 -5.275 1.00 0.00 WT1 H
+ATOM 5061 OH2 TIP3W3048 -6.805 15.387 -16.664 1.00 0.00 WT1 O
+ATOM 5062 H1 TIP3W3048 -6.647 14.929 -15.771 1.00 0.00 WT1 H
+ATOM 5063 H2 TIP3W3048 -6.362 16.287 -16.608 1.00 0.00 WT1 H
+ATOM 5064 OH2 TIP3W3049 -3.633 -29.457 -10.050 1.00 0.00 WT1 O
+ATOM 5065 H1 TIP3W3049 -3.677 -29.021 -9.175 1.00 0.00 WT1 H
+ATOM 5066 H2 TIP3W3049 -2.950 -30.067 -9.852 1.00 0.00 WT1 H
+ATOM 5067 OH2 TIP3W3050 8.308 -29.446 -7.850 1.00 0.00 WT1 O
+ATOM 5068 H1 TIP3W3050 8.121 -30.105 -7.197 1.00 0.00 WT1 H
+ATOM 5069 H2 TIP3W3050 8.062 -29.881 -8.705 1.00 0.00 WT1 H
+ATOM 5070 OH2 TIP3W3051 6.446 24.358 -8.544 1.00 0.00 WT1 O
+ATOM 5071 H1 TIP3W3051 6.040 24.291 -7.711 1.00 0.00 WT1 H
+ATOM 5072 H2 TIP3W3051 7.030 23.512 -8.605 1.00 0.00 WT1 H
+ATOM 5073 OH2 TIP3W3052 0.481 24.542 -3.153 1.00 0.00 WT1 O
+ATOM 5074 H1 TIP3W3052 0.684 25.427 -2.898 1.00 0.00 WT1 H
+ATOM 5075 H2 TIP3W3052 1.310 24.210 -3.484 1.00 0.00 WT1 H
+ATOM 5076 OH2 TIP3W3053 -4.844 -30.503 4.708 1.00 0.00 WT1 O
+ATOM 5077 H1 TIP3W3053 -4.213 -30.557 3.958 1.00 0.00 WT1 H
+ATOM 5078 H2 TIP3W3053 -5.588 -30.008 4.359 1.00 0.00 WT1 H
+ATOM 5079 OH2 TIP3W3054 -10.038 23.402 5.479 1.00 0.00 WT1 O
+ATOM 5080 H1 TIP3W3054 -10.471 22.508 5.470 1.00 0.00 WT1 H
+ATOM 5081 H2 TIP3W3054 -10.721 23.981 5.933 1.00 0.00 WT1 H
+ATOM 5082 OH2 TIP3W3056 -4.211 20.103 12.627 1.00 0.00 WT1 O
+ATOM 5083 H1 TIP3W3056 -5.145 19.814 12.652 1.00 0.00 WT1 H
+ATOM 5084 H2 TIP3W3056 -4.181 20.457 11.740 1.00 0.00 WT1 H
+ATOM 5085 OH2 TIP3W3057 -5.571 -27.980 18.684 1.00 0.00 WT1 O
+ATOM 5086 H1 TIP3W3057 -5.600 -27.669 17.758 1.00 0.00 WT1 H
+ATOM 5087 H2 TIP3W3057 -5.042 -28.778 18.569 1.00 0.00 WT1 H
+ATOM 5088 OH2 TIP3W3067 2.474 18.053 -14.763 1.00 0.00 WT1 O
+ATOM 5089 H1 TIP3W3067 2.708 17.649 -15.582 1.00 0.00 WT1 H
+ATOM 5090 H2 TIP3W3067 2.308 17.316 -14.124 1.00 0.00 WT1 H
+ATOM 5091 OH2 TIP3W3069 -6.883 29.889 -8.543 1.00 0.00 WT1 O
+ATOM 5092 H1 TIP3W3069 -7.146 30.322 -9.324 1.00 0.00 WT1 H
+ATOM 5093 H2 TIP3W3069 -7.696 29.951 -7.925 1.00 0.00 WT1 H
+ATOM 5094 OH2 TIP3W3071 -5.833 -24.434 8.286 1.00 0.00 WT1 O
+ATOM 5095 H1 TIP3W3071 -5.201 -25.126 8.432 1.00 0.00 WT1 H
+ATOM 5096 H2 TIP3W3071 -6.687 -24.850 8.190 1.00 0.00 WT1 H
+ATOM 5097 OH2 TIP3W3072 -16.147 -27.263 -15.739 1.00 0.00 WT1 O
+ATOM 5098 H1 TIP3W3072 -15.276 -27.571 -15.357 1.00 0.00 WT1 H
+ATOM 5099 H2 TIP3W3072 -16.465 -26.588 -15.078 1.00 0.00 WT1 H
+ATOM 5100 OH2 TIP3W3073 -3.935 -27.758 -14.773 1.00 0.00 WT1 O
+ATOM 5101 H1 TIP3W3073 -3.260 -27.085 -14.626 1.00 0.00 WT1 H
+ATOM 5102 H2 TIP3W3073 -4.223 -27.663 -15.701 1.00 0.00 WT1 H
+ATOM 5103 OH2 TIP3W3074 1.617 26.348 7.714 1.00 0.00 WT1 O
+ATOM 5104 H1 TIP3W3074 1.642 26.351 6.754 1.00 0.00 WT1 H
+ATOM 5105 H2 TIP3W3074 1.269 25.451 7.927 1.00 0.00 WT1 H
+ATOM 5106 OH2 TIP3W3075 2.917 -29.984 6.161 1.00 0.00 WT1 O
+ATOM 5107 H1 TIP3W3075 3.229 -29.884 7.071 1.00 0.00 WT1 H
+ATOM 5108 H2 TIP3W3075 2.684 -29.065 5.974 1.00 0.00 WT1 H
+ATOM 5109 OH2 TIP3W3076 13.101 26.789 -6.090 1.00 0.00 WT1 O
+ATOM 5110 H1 TIP3W3076 13.701 26.911 -6.746 1.00 0.00 WT1 H
+ATOM 5111 H2 TIP3W3076 13.102 27.720 -5.739 1.00 0.00 WT1 H
+ATOM 5112 OH2 TIP3W3079 -3.414 -20.314 17.619 1.00 0.00 WT1 O
+ATOM 5113 H1 TIP3W3079 -2.964 -21.176 17.647 1.00 0.00 WT1 H
+ATOM 5114 H2 TIP3W3079 -2.761 -19.680 17.948 1.00 0.00 WT1 H
+ATOM 5115 OH2 TIP3W3080 -3.146 -19.562 5.545 1.00 0.00 WT1 O
+ATOM 5116 H1 TIP3W3080 -2.591 -19.296 6.354 1.00 0.00 WT1 H
+ATOM 5117 H2 TIP3W3080 -3.967 -19.527 6.017 1.00 0.00 WT1 H
+ATOM 5118 OH2 TIP3W3081 -0.657 -19.195 20.620 1.00 0.00 WT1 O
+ATOM 5119 H1 TIP3W3081 0.230 -19.623 20.530 1.00 0.00 WT1 H
+ATOM 5120 H2 TIP3W3081 -0.552 -18.367 20.006 1.00 0.00 WT1 H
+ATOM 5121 OH2 TIP3W3085 1.562 -27.938 -21.680 1.00 0.00 WT1 O
+ATOM 5122 H1 TIP3W3085 0.733 -28.466 -21.754 1.00 0.00 WT1 H
+ATOM 5123 H2 TIP3W3085 2.153 -28.552 -21.213 1.00 0.00 WT1 H
+ATOM 5124 OH2 TIP3W3086 -3.193 -26.648 -21.509 1.00 0.00 WT1 O
+ATOM 5125 H1 TIP3W3086 -3.584 -27.519 -21.476 1.00 0.00 WT1 H
+ATOM 5126 H2 TIP3W3086 -3.270 -26.325 -20.608 1.00 0.00 WT1 H
+ATOM 5127 OH2 TIP3W3087 -11.338 17.920 -21.467 1.00 0.00 WT1 O
+ATOM 5128 H1 TIP3W3087 -11.284 17.112 -21.986 1.00 0.00 WT1 H
+ATOM 5129 H2 TIP3W3087 -11.342 17.599 -20.516 1.00 0.00 WT1 H
+ATOM 5130 OH2 TIP3W3088 -6.618 26.642 -21.388 1.00 0.00 WT1 O
+ATOM 5131 H1 TIP3W3088 -6.618 25.789 -21.897 1.00 0.00 WT1 H
+ATOM 5132 H2 TIP3W3088 -7.095 27.311 -21.958 1.00 0.00 WT1 H
+ATOM 5133 OH2 TIP3W3091 -3.949 -23.417 -18.578 1.00 0.00 WT1 O
+ATOM 5134 H1 TIP3W3091 -4.800 -23.786 -18.681 1.00 0.00 WT1 H
+ATOM 5135 H2 TIP3W3091 -3.992 -22.474 -18.569 1.00 0.00 WT1 H
+ATOM 5136 OH2 TIP3W3092 8.491 -18.567 -1.871 1.00 0.00 WT1 O
+ATOM 5137 H1 TIP3W3092 8.536 -19.103 -1.046 1.00 0.00 WT1 H
+ATOM 5138 H2 TIP3W3092 8.929 -17.764 -1.666 1.00 0.00 WT1 H
+ATOM 5139 OH2 TIP3W3094 9.053 14.961 -18.925 1.00 0.00 WT1 O
+ATOM 5140 H1 TIP3W3094 8.247 15.151 -19.463 1.00 0.00 WT1 H
+ATOM 5141 H2 TIP3W3094 8.897 15.422 -18.103 1.00 0.00 WT1 H
+ATOM 5142 OH2 TIP3W3095 3.331 -23.510 -1.981 1.00 0.00 WT1 O
+ATOM 5143 H1 TIP3W3095 2.624 -24.071 -1.592 1.00 0.00 WT1 H
+ATOM 5144 H2 TIP3W3095 3.407 -22.755 -1.375 1.00 0.00 WT1 H
+ATOM 5145 OH2 TIP3W3096 -9.255 -27.844 0.222 1.00 0.00 WT1 O
+ATOM 5146 H1 TIP3W3096 -8.271 -27.635 0.166 1.00 0.00 WT1 H
+ATOM 5147 H2 TIP3W3096 -9.371 -28.729 -0.060 1.00 0.00 WT1 H
+ATOM 5148 OH2 TIP3W3097 5.530 -29.965 -1.952 1.00 0.00 WT1 O
+ATOM 5149 H1 TIP3W3097 6.523 -29.967 -2.231 1.00 0.00 WT1 H
+ATOM 5150 H2 TIP3W3097 5.065 -29.777 -2.724 1.00 0.00 WT1 H
+ATOM 5151 OH2 TIP3W3098 1.340 29.087 5.846 1.00 0.00 WT1 O
+ATOM 5152 H1 TIP3W3098 1.551 28.825 4.945 1.00 0.00 WT1 H
+ATOM 5153 H2 TIP3W3098 2.177 28.895 6.328 1.00 0.00 WT1 H
+ATOM 5154 OH2 TIP3W3100 -5.595 26.174 11.239 1.00 0.00 WT1 O
+ATOM 5155 H1 TIP3W3100 -6.476 25.818 10.827 1.00 0.00 WT1 H
+ATOM 5156 H2 TIP3W3100 -4.923 25.899 10.608 1.00 0.00 WT1 H
+ATOM 5157 OH2 TIP3W3102 -2.011 -23.167 18.143 1.00 0.00 WT1 O
+ATOM 5158 H1 TIP3W3102 -1.986 -23.073 19.108 1.00 0.00 WT1 H
+ATOM 5159 H2 TIP3W3102 -1.252 -23.790 18.039 1.00 0.00 WT1 H
+ATOM 5160 OH2 TIP3W3104 -5.947 -17.956 16.657 1.00 0.00 WT1 O
+ATOM 5161 H1 TIP3W3104 -5.728 -18.842 16.249 1.00 0.00 WT1 H
+ATOM 5162 H2 TIP3W3104 -5.152 -17.820 17.171 1.00 0.00 WT1 H
+ATOM 5163 OH2 TIP3W3108 -4.176 -30.434 -14.614 1.00 0.00 WT1 O
+ATOM 5164 H1 TIP3W3108 -3.928 -29.492 -14.671 1.00 0.00 WT1 H
+ATOM 5165 H2 TIP3W3108 -3.798 -30.840 -15.444 1.00 0.00 WT1 H
+ATOM 5166 OH2 TIP3W3109 0.049 -11.397 -20.292 1.00 0.00 WT1 O
+ATOM 5167 H1 TIP3W3109 -0.395 -11.064 -21.120 1.00 0.00 WT1 H
+ATOM 5168 H2 TIP3W3109 -0.618 -11.507 -19.641 1.00 0.00 WT1 H
+ATOM 5169 OH2 TIP3W3110 5.810 23.838 -13.667 1.00 0.00 WT1 O
+ATOM 5170 H1 TIP3W3110 4.991 24.282 -13.237 1.00 0.00 WT1 H
+ATOM 5171 H2 TIP3W3110 5.509 23.519 -14.504 1.00 0.00 WT1 H
+ATOM 5172 OH2 TIP3W3111 2.436 -17.385 -16.843 1.00 0.00 WT1 O
+ATOM 5173 H1 TIP3W3111 3.225 -17.699 -16.237 1.00 0.00 WT1 H
+ATOM 5174 H2 TIP3W3111 1.831 -18.135 -16.790 1.00 0.00 WT1 H
+ATOM 5175 OH2 TIP3W3112 4.448 -18.837 -10.623 1.00 0.00 WT1 O
+ATOM 5176 H1 TIP3W3112 4.017 -19.015 -9.743 1.00 0.00 WT1 H
+ATOM 5177 H2 TIP3W3112 4.579 -17.860 -10.637 1.00 0.00 WT1 H
+ATOM 5178 OH2 TIP3W3113 -0.316 -18.575 -0.601 1.00 0.00 WT1 O
+ATOM 5179 H1 TIP3W3113 -0.730 -19.430 -0.866 1.00 0.00 WT1 H
+ATOM 5180 H2 TIP3W3113 -0.809 -18.370 0.242 1.00 0.00 WT1 H
+ATOM 5181 OH2 TIP3W3114 5.299 -25.045 -9.282 1.00 0.00 WT1 O
+ATOM 5182 H1 TIP3W3114 5.269 -24.059 -9.179 1.00 0.00 WT1 H
+ATOM 5183 H2 TIP3W3114 5.148 -25.368 -8.369 1.00 0.00 WT1 H
+ATOM 5184 OH2 TIP3W3115 -0.980 -22.108 -13.830 1.00 0.00 WT1 O
+ATOM 5185 H1 TIP3W3115 -0.347 -22.787 -13.665 1.00 0.00 WT1 H
+ATOM 5186 H2 TIP3W3115 -1.624 -22.185 -13.095 1.00 0.00 WT1 H
+ATOM 5187 OH2 TIP3W3116 6.767 -15.400 -6.985 1.00 0.00 WT1 O
+ATOM 5188 H1 TIP3W3116 7.238 -14.549 -7.180 1.00 0.00 WT1 H
+ATOM 5189 H2 TIP3W3116 6.397 -15.283 -6.103 1.00 0.00 WT1 H
+ATOM 5190 OH2 TIP3W3118 5.602 31.250 6.423 1.00 0.00 WT1 O
+ATOM 5191 H1 TIP3W3118 5.611 32.134 6.838 1.00 0.00 WT1 H
+ATOM 5192 H2 TIP3W3118 6.557 31.059 6.436 1.00 0.00 WT1 H
+ATOM 5193 OH2 TIP3W3119 6.545 -30.141 1.828 1.00 0.00 WT1 O
+ATOM 5194 H1 TIP3W3119 5.917 -29.957 2.556 1.00 0.00 WT1 H
+ATOM 5195 H2 TIP3W3119 5.940 -30.489 1.140 1.00 0.00 WT1 H
+ATOM 5196 OH2 TIP3W3120 18.327 -25.133 18.622 1.00 0.00 WT1 O
+ATOM 5197 H1 TIP3W3120 19.326 -25.298 18.720 1.00 0.00 WT1 H
+ATOM 5198 H2 TIP3W3120 17.984 -25.903 18.208 1.00 0.00 WT1 H
+ATOM 5199 OH2 TIP3W3121 -12.749 -27.285 14.414 1.00 0.00 WT1 O
+ATOM 5200 H1 TIP3W3121 -12.951 -26.384 14.025 1.00 0.00 WT1 H
+ATOM 5201 H2 TIP3W3121 -11.874 -27.430 14.092 1.00 0.00 WT1 H
+ATOM 5202 OH2 TIP3W3122 -7.376 22.050 17.954 1.00 0.00 WT1 O
+ATOM 5203 H1 TIP3W3122 -6.669 21.585 18.336 1.00 0.00 WT1 H
+ATOM 5204 H2 TIP3W3122 -7.783 21.454 17.327 1.00 0.00 WT1 H
+ATOM 5205 OH2 TIP3W3128 0.299 32.077 -18.402 1.00 0.00 WT1 O
+ATOM 5206 H1 TIP3W3128 0.351 31.142 -18.737 1.00 0.00 WT1 H
+ATOM 5207 H2 TIP3W3128 0.094 31.922 -17.462 1.00 0.00 WT1 H
+ATOM 5208 OH2 TIP3W3129 1.769 -23.870 -21.068 1.00 0.00 WT1 O
+ATOM 5209 H1 TIP3W3129 2.230 -23.444 -21.771 1.00 0.00 WT1 H
+ATOM 5210 H2 TIP3W3129 1.500 -24.771 -21.366 1.00 0.00 WT1 H
+ATOM 5211 OH2 TIP3W3131 0.059 -20.188 -20.066 1.00 0.00 WT1 O
+ATOM 5212 H1 TIP3W3131 -0.623 -19.592 -19.695 1.00 0.00 WT1 H
+ATOM 5213 H2 TIP3W3131 -0.326 -21.133 -19.879 1.00 0.00 WT1 H
+ATOM 5214 OH2 TIP3W3134 -11.185 -10.927 -6.058 1.00 0.00 WT1 O
+ATOM 5215 H1 TIP3W3134 -11.064 -10.295 -5.338 1.00 0.00 WT1 H
+ATOM 5216 H2 TIP3W3134 -11.331 -11.735 -5.558 1.00 0.00 WT1 H
+ATOM 5217 OH2 TIP3W3136 -11.299 -30.972 9.008 1.00 0.00 WT1 O
+ATOM 5218 H1 TIP3W3136 -11.478 -31.573 9.733 1.00 0.00 WT1 H
+ATOM 5219 H2 TIP3W3136 -10.282 -30.995 8.865 1.00 0.00 WT1 H
+ATOM 5220 OH2 TIP3W3137 -3.558 28.484 10.127 1.00 0.00 WT1 O
+ATOM 5221 H1 TIP3W3137 -3.976 28.472 9.300 1.00 0.00 WT1 H
+ATOM 5222 H2 TIP3W3137 -3.338 27.547 10.285 1.00 0.00 WT1 H
+ATOM 5223 OH2 TIP3W3138 15.660 -18.730 0.130 1.00 0.00 WT1 O
+ATOM 5224 H1 TIP3W3138 16.570 -18.455 -0.184 1.00 0.00 WT1 H
+ATOM 5225 H2 TIP3W3138 15.242 -19.038 -0.691 1.00 0.00 WT1 H
+ATOM 5226 OH2 TIP3W3139 -2.680 -29.641 6.364 1.00 0.00 WT1 O
+ATOM 5227 H1 TIP3W3139 -2.604 -30.405 6.885 1.00 0.00 WT1 H
+ATOM 5228 H2 TIP3W3139 -3.421 -29.848 5.730 1.00 0.00 WT1 H
+ATOM 5229 OH2 TIP3W3140 1.584 -30.728 -1.997 1.00 0.00 WT1 O
+ATOM 5230 H1 TIP3W3140 1.671 -30.416 -1.097 1.00 0.00 WT1 H
+ATOM 5231 H2 TIP3W3140 1.682 -31.651 -1.931 1.00 0.00 WT1 H
+ATOM 5232 OH2 TIP3W3142 3.910 -25.848 10.611 1.00 0.00 WT1 O
+ATOM 5233 H1 TIP3W3142 3.219 -26.101 11.286 1.00 0.00 WT1 H
+ATOM 5234 H2 TIP3W3142 4.789 -25.974 11.144 1.00 0.00 WT1 H
+ATOM 5235 OH2 TIP3W3143 -4.992 -28.863 15.865 1.00 0.00 WT1 O
+ATOM 5236 H1 TIP3W3143 -5.956 -28.824 15.736 1.00 0.00 WT1 H
+ATOM 5237 H2 TIP3W3143 -4.696 -28.166 15.283 1.00 0.00 WT1 H
+ATOM 5238 OH2 TIP3W3145 8.226 -30.181 20.765 1.00 0.00 WT1 O
+ATOM 5239 H1 TIP3W3145 8.789 -30.752 21.321 1.00 0.00 WT1 H
+ATOM 5240 H2 TIP3W3145 7.274 -30.517 20.995 1.00 0.00 WT1 H
+ATOM 5241 OH2 TIP3W3150 -4.795 -20.147 -18.449 1.00 0.00 WT1 O
+ATOM 5242 H1 TIP3W3150 -5.257 -19.312 -18.581 1.00 0.00 WT1 H
+ATOM 5243 H2 TIP3W3150 -4.582 -20.105 -17.566 1.00 0.00 WT1 H
+ATOM 5244 OH2 TIP3W3152 -0.461 -28.945 -12.741 1.00 0.00 WT1 O
+ATOM 5245 H1 TIP3W3152 -1.245 -28.442 -12.347 1.00 0.00 WT1 H
+ATOM 5246 H2 TIP3W3152 -0.038 -28.180 -13.173 1.00 0.00 WT1 H
+ATOM 5247 OH2 TIP3W3153 0.730 28.595 -14.187 1.00 0.00 WT1 O
+ATOM 5248 H1 TIP3W3153 -0.132 28.667 -13.708 1.00 0.00 WT1 H
+ATOM 5249 H2 TIP3W3153 1.380 29.126 -13.612 1.00 0.00 WT1 H
+ATOM 5250 OH2 TIP3W3154 1.592 -21.197 -6.615 1.00 0.00 WT1 O
+ATOM 5251 H1 TIP3W3154 2.438 -21.009 -6.168 1.00 0.00 WT1 H
+ATOM 5252 H2 TIP3W3154 1.869 -21.370 -7.546 1.00 0.00 WT1 H
+ATOM 5253 OH2 TIP3W3157 -0.563 -5.153 -9.982 1.00 0.00 WT1 O
+ATOM 5254 H1 TIP3W3157 -0.578 -5.123 -10.917 1.00 0.00 WT1 H
+ATOM 5255 H2 TIP3W3157 0.121 -4.448 -9.764 1.00 0.00 WT1 H
+ATOM 5256 OH2 TIP3W3159 10.866 -25.432 20.871 1.00 0.00 WT1 O
+ATOM 5257 H1 TIP3W3159 11.747 -25.597 21.242 1.00 0.00 WT1 H
+ATOM 5258 H2 TIP3W3159 10.459 -26.305 21.035 1.00 0.00 WT1 H
+ATOM 5259 OH2 TIP3W3160 6.397 -16.991 12.363 1.00 0.00 WT1 O
+ATOM 5260 H1 TIP3W3160 7.146 -16.490 12.066 1.00 0.00 WT1 H
+ATOM 5261 H2 TIP3W3160 5.686 -16.353 12.229 1.00 0.00 WT1 H
+ATOM 5262 OH2 TIP3W3161 -3.517 -23.635 5.751 1.00 0.00 WT1 O
+ATOM 5263 H1 TIP3W3161 -2.900 -24.039 6.400 1.00 0.00 WT1 H
+ATOM 5264 H2 TIP3W3161 -4.187 -24.273 5.568 1.00 0.00 WT1 H
+ATOM 5265 OH2 TIP3W3164 -2.703 -20.193 21.900 1.00 0.00 WT1 O
+ATOM 5266 H1 TIP3W3164 -3.218 -19.393 21.646 1.00 0.00 WT1 H
+ATOM 5267 H2 TIP3W3164 -1.881 -20.015 21.470 1.00 0.00 WT1 H
+ATOM 5268 OH2 TIP3W3167 -4.951 -21.966 22.331 1.00 0.00 WT1 O
+ATOM 5269 H1 TIP3W3167 -5.254 -22.282 21.427 1.00 0.00 WT1 H
+ATOM 5270 H2 TIP3W3167 -4.183 -21.350 22.264 1.00 0.00 WT1 H
+ATOM 5271 OH2 TIP3W3172 -0.149 28.822 21.938 1.00 0.00 WT1 O
+ATOM 5272 H1 TIP3W3172 0.546 28.602 22.517 1.00 0.00 WT1 H
+ATOM 5273 H2 TIP3W3172 -0.844 29.371 22.431 1.00 0.00 WT1 H
+ATOM 5274 OH2 TIP3W3173 -10.510 -27.762 -9.628 1.00 0.00 WT1 O
+ATOM 5275 H1 TIP3W3173 -10.586 -26.885 -10.046 1.00 0.00 WT1 H
+ATOM 5276 H2 TIP3W3173 -10.759 -27.572 -8.751 1.00 0.00 WT1 H
+ATOM 5277 OH2 TIP3W3174 6.734 -18.304 -6.365 1.00 0.00 WT1 O
+ATOM 5278 H1 TIP3W3174 6.999 -18.223 -5.409 1.00 0.00 WT1 H
+ATOM 5279 H2 TIP3W3174 7.008 -17.412 -6.762 1.00 0.00 WT1 H
+ATOM 5280 OH2 TIP3W3175 7.833 -14.528 13.643 1.00 0.00 WT1 O
+ATOM 5281 H1 TIP3W3175 7.682 -14.924 14.518 1.00 0.00 WT1 H
+ATOM 5282 H2 TIP3W3175 7.045 -13.959 13.566 1.00 0.00 WT1 H
+ATOM 5283 OH2 TIP3W3176 13.935 -14.260 -22.083 1.00 0.00 WT1 O
+ATOM 5284 H1 TIP3W3176 13.910 -13.322 -22.093 1.00 0.00 WT1 H
+ATOM 5285 H2 TIP3W3176 13.229 -14.490 -21.527 1.00 0.00 WT1 H
+ATOM 5286 OH2 TIP3W3177 -13.455 -31.332 -7.353 1.00 0.00 WT1 O
+ATOM 5287 H1 TIP3W3177 -12.638 -30.944 -7.782 1.00 0.00 WT1 H
+ATOM 5288 H2 TIP3W3177 -13.473 -32.246 -7.730 1.00 0.00 WT1 H
+ATOM 5289 OH2 TIP3W3178 6.917 -4.502 1.664 1.00 0.00 WT1 O
+ATOM 5290 H1 TIP3W3178 7.068 -4.323 2.620 1.00 0.00 WT1 H
+ATOM 5291 H2 TIP3W3178 6.307 -5.301 1.651 1.00 0.00 WT1 H
+ATOM 5292 OH2 TIP3W3181 -6.247 -21.145 2.078 1.00 0.00 WT1 O
+ATOM 5293 H1 TIP3W3181 -6.287 -21.766 1.319 1.00 0.00 WT1 H
+ATOM 5294 H2 TIP3W3181 -6.522 -21.748 2.764 1.00 0.00 WT1 H
+ATOM 5295 OH2 TIP3W3182 8.280 -8.074 8.521 1.00 0.00 WT1 O
+ATOM 5296 H1 TIP3W3182 7.705 -7.547 8.010 1.00 0.00 WT1 H
+ATOM 5297 H2 TIP3W3182 8.357 -8.877 7.938 1.00 0.00 WT1 H
+ATOM 5298 OH2 TIP3W3183 -0.248 -24.003 9.482 1.00 0.00 WT1 O
+ATOM 5299 H1 TIP3W3183 -0.090 -24.862 9.988 1.00 0.00 WT1 H
+ATOM 5300 H2 TIP3W3183 0.449 -23.437 9.769 1.00 0.00 WT1 H
+ATOM 5301 OH2 TIP3W3184 -16.681 -16.474 9.597 1.00 0.00 WT1 O
+ATOM 5302 H1 TIP3W3184 -16.613 -15.735 10.212 1.00 0.00 WT1 H
+ATOM 5303 H2 TIP3W3184 -16.907 -17.246 10.142 1.00 0.00 WT1 H
+ATOM 5304 OH2 TIP3W3185 -1.969 -11.654 21.348 1.00 0.00 WT1 O
+ATOM 5305 H1 TIP3W3185 -2.018 -11.804 20.372 1.00 0.00 WT1 H
+ATOM 5306 H2 TIP3W3185 -2.840 -11.846 21.601 1.00 0.00 WT1 H
+ATOM 5307 OH2 TIP3W3187 8.589 -25.702 -10.605 1.00 0.00 WT1 O
+ATOM 5308 H1 TIP3W3187 8.647 -25.279 -11.518 1.00 0.00 WT1 H
+ATOM 5309 H2 TIP3W3187 7.915 -26.433 -10.805 1.00 0.00 WT1 H
+ATOM 5310 OH2 TIP3W3189 -6.025 -18.395 11.714 1.00 0.00 WT1 O
+ATOM 5311 H1 TIP3W3189 -6.784 -18.062 12.223 1.00 0.00 WT1 H
+ATOM 5312 H2 TIP3W3189 -6.071 -19.317 11.771 1.00 0.00 WT1 H
+ATOM 5313 OH2 TIP3W3192 0.708 -15.693 -14.841 1.00 0.00 WT1 O
+ATOM 5314 H1 TIP3W3192 1.173 -14.932 -14.523 1.00 0.00 WT1 H
+ATOM 5315 H2 TIP3W3192 1.425 -16.077 -15.242 1.00 0.00 WT1 H
+ATOM 5316 OH2 TIP3W3193 16.606 -5.342 -9.071 1.00 0.00 WT1 O
+ATOM 5317 H1 TIP3W3193 16.536 -5.957 -9.804 1.00 0.00 WT1 H
+ATOM 5318 H2 TIP3W3193 16.952 -5.946 -8.382 1.00 0.00 WT1 H
+ATOM 5319 OH2 TIP3W3196 -14.892 -24.069 -6.507 1.00 0.00 WT1 O
+ATOM 5320 H1 TIP3W3196 -15.263 -24.326 -5.686 1.00 0.00 WT1 H
+ATOM 5321 H2 TIP3W3196 -15.595 -23.931 -7.122 1.00 0.00 WT1 H
+ATOM 5322 OH2 TIP3W3197 -7.029 0.124 -5.404 1.00 0.00 WT1 O
+ATOM 5323 H1 TIP3W3197 -6.128 0.476 -5.739 1.00 0.00 WT1 H
+ATOM 5324 H2 TIP3W3197 -7.346 -0.466 -6.162 1.00 0.00 WT1 H
+ATOM 5325 OH2 TIP3W3198 -5.531 -19.468 -3.441 1.00 0.00 WT1 O
+ATOM 5326 H1 TIP3W3198 -5.547 -20.446 -3.644 1.00 0.00 WT1 H
+ATOM 5327 H2 TIP3W3198 -4.576 -19.278 -3.650 1.00 0.00 WT1 H
+ATOM 5328 OH2 TIP3W3199 8.561 3.175 4.498 1.00 0.00 WT1 O
+ATOM 5329 H1 TIP3W3199 9.373 3.640 4.503 1.00 0.00 WT1 H
+ATOM 5330 H2 TIP3W3199 8.771 2.258 4.546 1.00 0.00 WT1 H
+ATOM 5331 OH2 TIP3W3200 13.267 -8.162 -8.354 1.00 0.00 WT1 O
+ATOM 5332 H1 TIP3W3200 13.247 -9.019 -7.914 1.00 0.00 WT1 H
+ATOM 5333 H2 TIP3W3200 13.303 -8.419 -9.309 1.00 0.00 WT1 H
+ATOM 5334 OH2 TIP3W3201 2.446 -8.587 9.023 1.00 0.00 WT1 O
+ATOM 5335 H1 TIP3W3201 2.152 -7.996 8.276 1.00 0.00 WT1 H
+ATOM 5336 H2 TIP3W3201 3.345 -8.279 9.193 1.00 0.00 WT1 H
+ATOM 5337 OH2 TIP3W3202 3.286 -9.505 -4.596 1.00 0.00 WT1 O
+ATOM 5338 H1 TIP3W3202 4.184 -10.003 -4.476 1.00 0.00 WT1 H
+ATOM 5339 H2 TIP3W3202 2.590 -10.159 -4.695 1.00 0.00 WT1 H
+ATOM 5340 OH2 TIP3W3203 8.785 -11.914 9.082 1.00 0.00 WT1 O
+ATOM 5341 H1 TIP3W3203 8.133 -12.098 8.406 1.00 0.00 WT1 H
+ATOM 5342 H2 TIP3W3203 9.425 -11.368 8.673 1.00 0.00 WT1 H
+ATOM 5343 OH2 TIP3W3204 -2.594 -2.948 10.075 1.00 0.00 WT1 O
+ATOM 5344 H1 TIP3W3204 -3.528 -3.191 10.303 1.00 0.00 WT1 H
+ATOM 5345 H2 TIP3W3204 -2.403 -2.252 10.692 1.00 0.00 WT1 H
+ATOM 5346 OH2 TIP3W3205 4.619 -15.111 10.857 1.00 0.00 WT1 O
+ATOM 5347 H1 TIP3W3205 4.242 -14.385 11.405 1.00 0.00 WT1 H
+ATOM 5348 H2 TIP3W3205 3.845 -15.374 10.275 1.00 0.00 WT1 H
+ATOM 5349 OH2 TIP3W3207 8.472 -20.958 20.655 1.00 0.00 WT1 O
+ATOM 5350 H1 TIP3W3207 9.237 -21.341 20.213 1.00 0.00 WT1 H
+ATOM 5351 H2 TIP3W3207 8.530 -21.083 21.567 1.00 0.00 WT1 H
+ATOM 5352 OH2 TIP3W3210 -0.642 -21.836 16.193 1.00 0.00 WT1 O
+ATOM 5353 H1 TIP3W3210 -1.216 -22.314 16.780 1.00 0.00 WT1 H
+ATOM 5354 H2 TIP3W3210 -0.520 -22.455 15.431 1.00 0.00 WT1 H
+ATOM 5355 OH2 TIP3W3214 2.061 -20.247 -16.719 1.00 0.00 WT1 O
+ATOM 5356 H1 TIP3W3214 2.167 -20.647 -17.555 1.00 0.00 WT1 H
+ATOM 5357 H2 TIP3W3214 2.931 -19.914 -16.531 1.00 0.00 WT1 H
+ATOM 5358 OH2 TIP3W3215 -2.599 -13.333 -8.253 1.00 0.00 WT1 O
+ATOM 5359 H1 TIP3W3215 -3.417 -13.059 -7.885 1.00 0.00 WT1 H
+ATOM 5360 H2 TIP3W3215 -1.931 -12.884 -7.727 1.00 0.00 WT1 H
+ATOM 5361 OH2 TIP3W3218 -10.674 -19.195 -3.468 1.00 0.00 WT1 O
+ATOM 5362 H1 TIP3W3218 -9.732 -19.182 -3.313 1.00 0.00 WT1 H
+ATOM 5363 H2 TIP3W3218 -11.082 -19.643 -2.639 1.00 0.00 WT1 H
+ATOM 5364 OH2 TIP3W3220 0.119 2.310 -14.012 1.00 0.00 WT1 O
+ATOM 5365 H1 TIP3W3220 0.692 2.924 -14.492 1.00 0.00 WT1 H
+ATOM 5366 H2 TIP3W3220 0.718 1.904 -13.336 1.00 0.00 WT1 H
+ATOM 5367 OH2 TIP3W3221 -4.319 -10.669 15.822 1.00 0.00 WT1 O
+ATOM 5368 H1 TIP3W3221 -3.983 -9.797 15.657 1.00 0.00 WT1 H
+ATOM 5369 H2 TIP3W3221 -3.497 -11.256 15.762 1.00 0.00 WT1 H
+ATOM 5370 OH2 TIP3W3222 4.021 -9.202 6.349 1.00 0.00 WT1 O
+ATOM 5371 H1 TIP3W3222 4.200 -8.268 6.077 1.00 0.00 WT1 H
+ATOM 5372 H2 TIP3W3222 4.767 -9.710 5.955 1.00 0.00 WT1 H
+ATOM 5373 OH2 TIP3W3223 -17.471 -12.587 -0.562 1.00 0.00 WT1 O
+ATOM 5374 H1 TIP3W3223 -18.316 -12.655 -1.102 1.00 0.00 WT1 H
+ATOM 5375 H2 TIP3W3223 -16.786 -12.822 -1.198 1.00 0.00 WT1 H
+ATOM 5376 OH2 TIP3W3224 1.135 -13.524 9.825 1.00 0.00 WT1 O
+ATOM 5377 H1 TIP3W3224 0.338 -13.035 10.060 1.00 0.00 WT1 H
+ATOM 5378 H2 TIP3W3224 1.732 -12.899 9.423 1.00 0.00 WT1 H
+ATOM 5379 OH2 TIP3W3225 15.007 -15.566 14.003 1.00 0.00 WT1 O
+ATOM 5380 H1 TIP3W3225 14.410 -15.222 14.638 1.00 0.00 WT1 H
+ATOM 5381 H2 TIP3W3225 15.799 -15.152 14.187 1.00 0.00 WT1 H
+ATOM 5382 OH2 TIP3W3226 -9.893 0.397 11.368 1.00 0.00 WT1 O
+ATOM 5383 H1 TIP3W3226 -9.870 0.151 10.423 1.00 0.00 WT1 H
+ATOM 5384 H2 TIP3W3226 -9.441 -0.338 11.830 1.00 0.00 WT1 H
+ATOM 5385 OH2 TIP3W3227 -9.026 -14.473 4.981 1.00 0.00 WT1 O
+ATOM 5386 H1 TIP3W3227 -9.199 -13.544 5.146 1.00 0.00 WT1 H
+ATOM 5387 H2 TIP3W3227 -8.164 -14.503 5.488 1.00 0.00 WT1 H
+ATOM 5388 OH2 TIP3W3228 -7.597 -4.608 18.316 1.00 0.00 WT1 O
+ATOM 5389 H1 TIP3W3228 -7.845 -4.686 19.258 1.00 0.00 WT1 H
+ATOM 5390 H2 TIP3W3228 -7.646 -5.543 18.014 1.00 0.00 WT1 H
+ATOM 5391 OH2 TIP3W3229 3.872 -7.659 12.185 1.00 0.00 WT1 O
+ATOM 5392 H1 TIP3W3229 4.658 -7.593 12.725 1.00 0.00 WT1 H
+ATOM 5393 H2 TIP3W3229 3.140 -7.325 12.800 1.00 0.00 WT1 H
+ATOM 5394 OH2 TIP3W3233 5.997 -1.583 -19.511 1.00 0.00 WT1 O
+ATOM 5395 H1 TIP3W3233 5.971 -1.499 -18.499 1.00 0.00 WT1 H
+ATOM 5396 H2 TIP3W3233 6.574 -2.340 -19.582 1.00 0.00 WT1 H
+ATOM 5397 OH2 TIP3W3234 -6.268 -9.596 -14.639 1.00 0.00 WT1 O
+ATOM 5398 H1 TIP3W3234 -6.554 -9.132 -13.850 1.00 0.00 WT1 H
+ATOM 5399 H2 TIP3W3234 -5.300 -9.491 -14.612 1.00 0.00 WT1 H
+ATOM 5400 OH2 TIP3W3236 -9.972 -5.134 -9.498 1.00 0.00 WT1 O
+ATOM 5401 H1 TIP3W3236 -9.462 -4.457 -9.887 1.00 0.00 WT1 H
+ATOM 5402 H2 TIP3W3236 -10.518 -4.642 -8.901 1.00 0.00 WT1 H
+ATOM 5403 OH2 TIP3W3237 -0.647 -11.307 -7.866 1.00 0.00 WT1 O
+ATOM 5404 H1 TIP3W3237 0.049 -11.767 -8.373 1.00 0.00 WT1 H
+ATOM 5405 H2 TIP3W3237 -0.211 -11.033 -7.014 1.00 0.00 WT1 H
+ATOM 5406 OH2 TIP3W3238 4.421 -7.228 -3.431 1.00 0.00 WT1 O
+ATOM 5407 H1 TIP3W3238 4.087 -7.998 -3.962 1.00 0.00 WT1 H
+ATOM 5408 H2 TIP3W3238 5.344 -7.234 -3.737 1.00 0.00 WT1 H
+ATOM 5409 OH2 TIP3W3239 5.833 3.525 -6.978 1.00 0.00 WT1 O
+ATOM 5410 H1 TIP3W3239 6.498 3.769 -7.637 1.00 0.00 WT1 H
+ATOM 5411 H2 TIP3W3239 5.036 3.769 -7.345 1.00 0.00 WT1 H
+ATOM 5412 OH2 TIP3W3240 -6.800 -4.002 -3.899 1.00 0.00 WT1 O
+ATOM 5413 H1 TIP3W3240 -7.443 -3.211 -3.819 1.00 0.00 WT1 H
+ATOM 5414 H2 TIP3W3240 -6.861 -4.207 -4.854 1.00 0.00 WT1 H
+ATOM 5415 OH2 TIP3W3241 -1.704 -0.841 -15.694 1.00 0.00 WT1 O
+ATOM 5416 H1 TIP3W3241 -0.815 -1.148 -15.830 1.00 0.00 WT1 H
+ATOM 5417 H2 TIP3W3241 -1.538 0.109 -15.804 1.00 0.00 WT1 H
+ATOM 5418 OH2 TIP3W3242 -3.796 -13.079 -4.090 1.00 0.00 WT1 O
+ATOM 5419 H1 TIP3W3242 -4.322 -13.135 -3.308 1.00 0.00 WT1 H
+ATOM 5420 H2 TIP3W3242 -4.000 -13.879 -4.596 1.00 0.00 WT1 H
+ATOM 5421 OH2 TIP3W3243 6.901 -0.938 -8.877 1.00 0.00 WT1 O
+ATOM 5422 H1 TIP3W3243 6.381 -0.186 -8.661 1.00 0.00 WT1 H
+ATOM 5423 H2 TIP3W3243 6.950 -1.509 -8.072 1.00 0.00 WT1 H
+ATOM 5424 OH2 TIP3W3244 -3.299 -9.817 -14.464 1.00 0.00 WT1 O
+ATOM 5425 H1 TIP3W3244 -2.818 -10.116 -15.160 1.00 0.00 WT1 H
+ATOM 5426 H2 TIP3W3244 -3.263 -10.581 -13.827 1.00 0.00 WT1 H
+ATOM 5427 OH2 TIP3W3245 -12.586 -17.614 6.628 1.00 0.00 WT1 O
+ATOM 5428 H1 TIP3W3245 -13.464 -17.681 6.212 1.00 0.00 WT1 H
+ATOM 5429 H2 TIP3W3245 -12.766 -17.103 7.446 1.00 0.00 WT1 H
+ATOM 5430 OH2 TIP3W3246 -3.366 -16.733 12.285 1.00 0.00 WT1 O
+ATOM 5431 H1 TIP3W3246 -2.907 -17.336 11.703 1.00 0.00 WT1 H
+ATOM 5432 H2 TIP3W3246 -4.227 -17.015 12.245 1.00 0.00 WT1 H
+ATOM 5433 OH2 TIP3W3249 -13.451 -15.497 20.549 1.00 0.00 WT1 O
+ATOM 5434 H1 TIP3W3249 -14.162 -16.097 20.872 1.00 0.00 WT1 H
+ATOM 5435 H2 TIP3W3249 -12.704 -15.517 21.201 1.00 0.00 WT1 H
+ATOM 5436 OH2 TIP3W3257 3.587 -6.247 -21.147 1.00 0.00 WT1 O
+ATOM 5437 H1 TIP3W3257 3.228 -5.377 -21.582 1.00 0.00 WT1 H
+ATOM 5438 H2 TIP3W3257 4.594 -6.094 -21.195 1.00 0.00 WT1 H
+ATOM 5439 OH2 TIP3W3258 1.563 -13.519 -16.661 1.00 0.00 WT1 O
+ATOM 5440 H1 TIP3W3258 1.435 -13.241 -17.593 1.00 0.00 WT1 H
+ATOM 5441 H2 TIP3W3258 2.446 -13.174 -16.472 1.00 0.00 WT1 H
+ATOM 5442 OH2 TIP3W3262 -7.382 -9.067 -12.065 1.00 0.00 WT1 O
+ATOM 5443 H1 TIP3W3262 -8.019 -8.741 -11.353 1.00 0.00 WT1 H
+ATOM 5444 H2 TIP3W3262 -6.550 -8.641 -11.812 1.00 0.00 WT1 H
+ATOM 5445 OH2 TIP3W3263 0.388 -21.020 2.259 1.00 0.00 WT1 O
+ATOM 5446 H1 TIP3W3263 0.164 -20.114 1.966 1.00 0.00 WT1 H
+ATOM 5447 H2 TIP3W3263 -0.455 -21.303 2.598 1.00 0.00 WT1 H
+ATOM 5448 OH2 TIP3W3264 -5.700 4.498 3.967 1.00 0.00 WT1 O
+ATOM 5449 H1 TIP3W3264 -6.180 4.555 3.129 1.00 0.00 WT1 H
+ATOM 5450 H2 TIP3W3264 -6.288 4.961 4.563 1.00 0.00 WT1 H
+ATOM 5451 OH2 TIP3W3266 10.115 -10.104 15.113 1.00 0.00 WT1 O
+ATOM 5452 H1 TIP3W3266 9.528 -10.653 15.650 1.00 0.00 WT1 H
+ATOM 5453 H2 TIP3W3266 10.924 -10.683 15.027 1.00 0.00 WT1 H
+ATOM 5454 OH2 TIP3W3267 16.708 -0.431 16.008 1.00 0.00 WT1 O
+ATOM 5455 H1 TIP3W3267 16.308 -0.433 16.879 1.00 0.00 WT1 H
+ATOM 5456 H2 TIP3W3267 16.341 -1.243 15.599 1.00 0.00 WT1 H
+ATOM 5457 OH2 TIP3W3269 -5.597 -12.861 16.996 1.00 0.00 WT1 O
+ATOM 5458 H1 TIP3W3269 -5.181 -11.966 17.014 1.00 0.00 WT1 H
+ATOM 5459 H2 TIP3W3269 -4.877 -13.440 17.442 1.00 0.00 WT1 H
+ATOM 5460 OH2 TIP3W3270 4.928 -21.675 19.901 1.00 0.00 WT1 O
+ATOM 5461 H1 TIP3W3270 5.029 -21.726 20.834 1.00 0.00 WT1 H
+ATOM 5462 H2 TIP3W3270 4.457 -20.904 19.797 1.00 0.00 WT1 H
+ATOM 5463 OH2 TIP3W3271 -6.637 -18.163 21.502 1.00 0.00 WT1 O
+ATOM 5464 H1 TIP3W3271 -7.469 -18.574 21.369 1.00 0.00 WT1 H
+ATOM 5465 H2 TIP3W3271 -6.907 -17.267 21.746 1.00 0.00 WT1 H
+ATOM 5466 OH2 TIP3W3272 2.427 -3.784 20.119 1.00 0.00 WT1 O
+ATOM 5467 H1 TIP3W3272 3.042 -4.516 19.909 1.00 0.00 WT1 H
+ATOM 5468 H2 TIP3W3272 2.333 -3.372 19.208 1.00 0.00 WT1 H
+ATOM 5469 OH2 TIP3W3274 3.767 -11.026 -18.754 1.00 0.00 WT1 O
+ATOM 5470 H1 TIP3W3274 3.328 -11.861 -18.923 1.00 0.00 WT1 H
+ATOM 5471 H2 TIP3W3274 3.103 -10.422 -18.342 1.00 0.00 WT1 H
+ATOM 5472 OH2 TIP3W3276 -6.867 10.184 -10.982 1.00 0.00 WT1 O
+ATOM 5473 H1 TIP3W3276 -6.904 11.129 -11.141 1.00 0.00 WT1 H
+ATOM 5474 H2 TIP3W3276 -6.745 9.723 -11.903 1.00 0.00 WT1 H
+ATOM 5475 OH2 TIP3W3277 -9.038 8.270 -19.286 1.00 0.00 WT1 O
+ATOM 5476 H1 TIP3W3277 -8.520 8.273 -20.094 1.00 0.00 WT1 H
+ATOM 5477 H2 TIP3W3277 -9.820 8.749 -19.513 1.00 0.00 WT1 H
+ATOM 5478 OH2 TIP3W3278 -4.046 7.662 -17.363 1.00 0.00 WT1 O
+ATOM 5479 H1 TIP3W3278 -4.175 7.109 -18.117 1.00 0.00 WT1 H
+ATOM 5480 H2 TIP3W3278 -4.317 8.603 -17.671 1.00 0.00 WT1 H
+ATOM 5481 OH2 TIP3W3279 4.057 12.757 -14.726 1.00 0.00 WT1 O
+ATOM 5482 H1 TIP3W3279 4.252 12.351 -13.829 1.00 0.00 WT1 H
+ATOM 5483 H2 TIP3W3279 4.749 12.429 -15.296 1.00 0.00 WT1 H
+ATOM 5484 OH2 TIP3W3280 2.504 -10.096 -12.403 1.00 0.00 WT1 O
+ATOM 5485 H1 TIP3W3280 3.372 -9.813 -12.859 1.00 0.00 WT1 H
+ATOM 5486 H2 TIP3W3280 2.851 -10.455 -11.526 1.00 0.00 WT1 H
+ATOM 5487 OH2 TIP3W3282 6.849 -4.218 -11.707 1.00 0.00 WT1 O
+ATOM 5488 H1 TIP3W3282 6.561 -3.321 -11.758 1.00 0.00 WT1 H
+ATOM 5489 H2 TIP3W3282 6.604 -4.522 -10.807 1.00 0.00 WT1 H
+ATOM 5490 OH2 TIP3W3283 1.196 6.811 -10.101 1.00 0.00 WT1 O
+ATOM 5491 H1 TIP3W3283 0.553 6.629 -10.831 1.00 0.00 WT1 H
+ATOM 5492 H2 TIP3W3283 1.425 5.922 -9.800 1.00 0.00 WT1 H
+ATOM 5493 OH2 TIP3W3285 12.721 2.715 -1.132 1.00 0.00 WT1 O
+ATOM 5494 H1 TIP3W3285 12.259 1.907 -1.484 1.00 0.00 WT1 H
+ATOM 5495 H2 TIP3W3285 12.026 3.140 -0.588 1.00 0.00 WT1 H
+ATOM 5496 OH2 TIP3W3286 13.047 -9.608 5.569 1.00 0.00 WT1 O
+ATOM 5497 H1 TIP3W3286 12.693 -8.731 5.706 1.00 0.00 WT1 H
+ATOM 5498 H2 TIP3W3286 12.911 -10.002 6.428 1.00 0.00 WT1 H
+ATOM 5499 OH2 TIP3W3287 -19.841 -3.440 6.601 1.00 0.00 WT1 O
+ATOM 5500 H1 TIP3W3287 -20.773 -3.459 6.846 1.00 0.00 WT1 H
+ATOM 5501 H2 TIP3W3287 -19.554 -2.542 6.926 1.00 0.00 WT1 H
+ATOM 5502 OH2 TIP3W3288 4.449 5.706 17.010 1.00 0.00 WT1 O
+ATOM 5503 H1 TIP3W3288 4.121 4.844 17.202 1.00 0.00 WT1 H
+ATOM 5504 H2 TIP3W3288 5.276 5.520 16.506 1.00 0.00 WT1 H
+ATOM 5505 OH2 TIP3W3289 1.837 14.788 1.104 1.00 0.00 WT1 O
+ATOM 5506 H1 TIP3W3289 1.330 15.554 1.278 1.00 0.00 WT1 H
+ATOM 5507 H2 TIP3W3289 1.486 14.543 0.286 1.00 0.00 WT1 H
+ATOM 5508 OH2 TIP3W3291 2.710 -10.267 15.020 1.00 0.00 WT1 O
+ATOM 5509 H1 TIP3W3291 2.512 -10.310 14.048 1.00 0.00 WT1 H
+ATOM 5510 H2 TIP3W3291 3.627 -10.263 15.008 1.00 0.00 WT1 H
+ATOM 5511 OH2 TIP3W3293 1.185 -10.561 19.364 1.00 0.00 WT1 O
+ATOM 5512 H1 TIP3W3293 0.625 -10.646 18.569 1.00 0.00 WT1 H
+ATOM 5513 H2 TIP3W3293 0.662 -10.929 20.095 1.00 0.00 WT1 H
+ATOM 5514 OH2 TIP3W3296 9.784 -13.404 -21.370 1.00 0.00 WT1 O
+ATOM 5515 H1 TIP3W3296 10.074 -13.634 -22.317 1.00 0.00 WT1 H
+ATOM 5516 H2 TIP3W3296 9.388 -12.498 -21.469 1.00 0.00 WT1 H
+ATOM 5517 OH2 TIP3W3298 5.157 4.973 -17.716 1.00 0.00 WT1 O
+ATOM 5518 H1 TIP3W3298 5.692 5.815 -17.574 1.00 0.00 WT1 H
+ATOM 5519 H2 TIP3W3298 5.059 4.859 -18.688 1.00 0.00 WT1 H
+ATOM 5520 OH2 TIP3W3301 10.147 -1.817 -13.818 1.00 0.00 WT1 O
+ATOM 5521 H1 TIP3W3301 9.952 -2.265 -14.630 1.00 0.00 WT1 H
+ATOM 5522 H2 TIP3W3301 10.525 -2.561 -13.291 1.00 0.00 WT1 H
+ATOM 5523 OH2 TIP3W3302 2.181 -4.827 -18.674 1.00 0.00 WT1 O
+ATOM 5524 H1 TIP3W3302 1.804 -5.682 -18.883 1.00 0.00 WT1 H
+ATOM 5525 H2 TIP3W3302 2.201 -4.421 -19.549 1.00 0.00 WT1 H
+ATOM 5526 OH2 TIP3W3303 -8.416 -9.360 -2.716 1.00 0.00 WT1 O
+ATOM 5527 H1 TIP3W3303 -7.571 -9.524 -2.292 1.00 0.00 WT1 H
+ATOM 5528 H2 TIP3W3303 -8.829 -10.230 -2.615 1.00 0.00 WT1 H
+ATOM 5529 OH2 TIP3W3304 -9.423 -11.918 -2.558 1.00 0.00 WT1 O
+ATOM 5530 H1 TIP3W3304 -10.136 -12.236 -3.090 1.00 0.00 WT1 H
+ATOM 5531 H2 TIP3W3304 -9.366 -12.532 -1.801 1.00 0.00 WT1 H
+ATOM 5532 OH2 TIP3W3307 5.511 -2.851 9.395 1.00 0.00 WT1 O
+ATOM 5533 H1 TIP3W3307 6.168 -2.738 8.701 1.00 0.00 WT1 H
+ATOM 5534 H2 TIP3W3307 5.927 -2.457 10.116 1.00 0.00 WT1 H
+ATOM 5535 OH2 TIP3W3308 6.924 6.301 -3.870 1.00 0.00 WT1 O
+ATOM 5536 H1 TIP3W3308 7.761 6.759 -4.177 1.00 0.00 WT1 H
+ATOM 5537 H2 TIP3W3308 6.621 5.950 -4.714 1.00 0.00 WT1 H
+ATOM 5538 OH2 TIP3W3310 -9.530 -1.000 15.747 1.00 0.00 WT1 O
+ATOM 5539 H1 TIP3W3310 -9.776 -1.100 16.679 1.00 0.00 WT1 H
+ATOM 5540 H2 TIP3W3310 -8.876 -1.670 15.593 1.00 0.00 WT1 H
+ATOM 5541 OH2 TIP3W3311 5.560 16.981 15.442 1.00 0.00 WT1 O
+ATOM 5542 H1 TIP3W3311 4.551 17.190 15.311 1.00 0.00 WT1 H
+ATOM 5543 H2 TIP3W3311 5.793 17.587 16.145 1.00 0.00 WT1 H
+ATOM 5544 OH2 TIP3W3312 5.755 -1.792 19.569 1.00 0.00 WT1 O
+ATOM 5545 H1 TIP3W3312 5.079 -1.987 20.233 1.00 0.00 WT1 H
+ATOM 5546 H2 TIP3W3312 5.677 -2.559 18.921 1.00 0.00 WT1 H
+ATOM 5547 OH2 TIP3W3317 10.127 -5.812 -20.785 1.00 0.00 WT1 O
+ATOM 5548 H1 TIP3W3317 10.857 -5.809 -21.398 1.00 0.00 WT1 H
+ATOM 5549 H2 TIP3W3317 9.573 -6.539 -21.025 1.00 0.00 WT1 H
+ATOM 5550 OH2 TIP3W3319 0.354 2.505 -20.510 1.00 0.00 WT1 O
+ATOM 5551 H1 TIP3W3319 0.749 1.629 -20.660 1.00 0.00 WT1 H
+ATOM 5552 H2 TIP3W3319 -0.502 2.427 -20.876 1.00 0.00 WT1 H
+ATOM 5553 OH2 TIP3W3320 -7.425 19.605 -14.418 1.00 0.00 WT1 O
+ATOM 5554 H1 TIP3W3320 -6.830 19.084 -14.991 1.00 0.00 WT1 H
+ATOM 5555 H2 TIP3W3320 -6.998 20.435 -14.375 1.00 0.00 WT1 H
+ATOM 5556 OH2 TIP3W3322 -2.110 3.298 -18.549 1.00 0.00 WT1 O
+ATOM 5557 H1 TIP3W3322 -2.906 3.163 -19.107 1.00 0.00 WT1 H
+ATOM 5558 H2 TIP3W3322 -1.758 4.116 -18.892 1.00 0.00 WT1 H
+ATOM 5559 OH2 TIP3W3323 17.792 1.593 -13.792 1.00 0.00 WT1 O
+ATOM 5560 H1 TIP3W3323 17.621 1.623 -14.753 1.00 0.00 WT1 H
+ATOM 5561 H2 TIP3W3323 18.739 1.794 -13.792 1.00 0.00 WT1 H
+ATOM 5562 OH2 TIP3W3325 11.519 4.496 4.650 1.00 0.00 WT1 O
+ATOM 5563 H1 TIP3W3325 11.658 5.485 4.528 1.00 0.00 WT1 H
+ATOM 5564 H2 TIP3W3325 12.326 4.187 4.189 1.00 0.00 WT1 H
+ATOM 5565 OH2 TIP3W3327 -11.326 5.243 6.640 1.00 0.00 WT1 O
+ATOM 5566 H1 TIP3W3327 -10.757 5.980 6.803 1.00 0.00 WT1 H
+ATOM 5567 H2 TIP3W3327 -11.320 4.782 7.474 1.00 0.00 WT1 H
+ATOM 5568 OH2 TIP3W3328 11.038 13.856 9.125 1.00 0.00 WT1 O
+ATOM 5569 H1 TIP3W3328 10.114 14.167 9.044 1.00 0.00 WT1 H
+ATOM 5570 H2 TIP3W3328 10.951 12.833 9.152 1.00 0.00 WT1 H
+ATOM 5571 OH2 TIP3W3329 -3.379 8.766 12.368 1.00 0.00 WT1 O
+ATOM 5572 H1 TIP3W3329 -3.199 8.002 12.940 1.00 0.00 WT1 H
+ATOM 5573 H2 TIP3W3329 -2.833 8.610 11.590 1.00 0.00 WT1 H
+ATOM 5574 OH2 TIP3W3330 13.508 6.346 20.108 1.00 0.00 WT1 O
+ATOM 5575 H1 TIP3W3330 13.969 5.993 20.880 1.00 0.00 WT1 H
+ATOM 5576 H2 TIP3W3330 12.952 7.018 20.481 1.00 0.00 WT1 H
+ATOM 5577 OH2 TIP3W3335 -1.198 -3.190 21.500 1.00 0.00 WT1 O
+ATOM 5578 H1 TIP3W3335 -1.801 -2.380 21.600 1.00 0.00 WT1 H
+ATOM 5579 H2 TIP3W3335 -0.302 -2.873 21.725 1.00 0.00 WT1 H
+ATOM 5580 OH2 TIP3W3337 -1.235 12.691 -14.493 1.00 0.00 WT1 O
+ATOM 5581 H1 TIP3W3337 -1.445 12.052 -15.195 1.00 0.00 WT1 H
+ATOM 5582 H2 TIP3W3337 -1.327 12.130 -13.753 1.00 0.00 WT1 H
+ATOM 5583 OH2 TIP3W3341 -2.547 2.458 -14.964 1.00 0.00 WT1 O
+ATOM 5584 H1 TIP3W3341 -1.617 2.245 -14.813 1.00 0.00 WT1 H
+ATOM 5585 H2 TIP3W3341 -2.996 1.945 -14.243 1.00 0.00 WT1 H
+ATOM 5586 OH2 TIP3W3342 -8.706 0.006 -14.141 1.00 0.00 WT1 O
+ATOM 5587 H1 TIP3W3342 -9.473 0.402 -13.740 1.00 0.00 WT1 H
+ATOM 5588 H2 TIP3W3342 -9.046 -0.740 -14.741 1.00 0.00 WT1 H
+ATOM 5589 OH2 TIP3W3344 0.610 6.302 -14.770 1.00 0.00 WT1 O
+ATOM 5590 H1 TIP3W3344 0.953 5.432 -15.076 1.00 0.00 WT1 H
+ATOM 5591 H2 TIP3W3344 0.015 6.659 -15.519 1.00 0.00 WT1 H
+ATOM 5592 OH2 TIP3W3345 16.659 7.428 -4.157 1.00 0.00 WT1 O
+ATOM 5593 H1 TIP3W3345 17.399 7.922 -4.693 1.00 0.00 WT1 H
+ATOM 5594 H2 TIP3W3345 17.069 7.184 -3.327 1.00 0.00 WT1 H
+ATOM 5595 OH2 TIP3W3346 8.916 1.149 6.736 1.00 0.00 WT1 O
+ATOM 5596 H1 TIP3W3346 8.133 1.392 7.311 1.00 0.00 WT1 H
+ATOM 5597 H2 TIP3W3346 9.508 1.922 6.779 1.00 0.00 WT1 H
+ATOM 5598 OH2 TIP3W3348 8.800 -2.553 -2.905 1.00 0.00 WT1 O
+ATOM 5599 H1 TIP3W3348 8.655 -3.116 -2.105 1.00 0.00 WT1 H
+ATOM 5600 H2 TIP3W3348 8.379 -1.710 -2.611 1.00 0.00 WT1 H
+ATOM 5601 OH2 TIP3W3351 -3.035 24.117 18.236 1.00 0.00 WT1 O
+ATOM 5602 H1 TIP3W3351 -3.536 24.865 17.975 1.00 0.00 WT1 H
+ATOM 5603 H2 TIP3W3351 -3.614 23.778 18.930 1.00 0.00 WT1 H
+ATOM 5604 OH2 TIP3W3353 1.134 4.791 18.144 1.00 0.00 WT1 O
+ATOM 5605 H1 TIP3W3353 1.216 4.460 17.247 1.00 0.00 WT1 H
+ATOM 5606 H2 TIP3W3353 1.355 4.031 18.741 1.00 0.00 WT1 H
+ATOM 5607 OH2 TIP3W3354 6.133 -9.362 10.997 1.00 0.00 WT1 O
+ATOM 5608 H1 TIP3W3354 6.435 -9.031 11.838 1.00 0.00 WT1 H
+ATOM 5609 H2 TIP3W3354 5.507 -8.598 10.747 1.00 0.00 WT1 H
+ATOM 5610 OH2 TIP3W3355 4.998 5.866 10.134 1.00 0.00 WT1 O
+ATOM 5611 H1 TIP3W3355 5.596 5.188 10.441 1.00 0.00 WT1 H
+ATOM 5612 H2 TIP3W3355 4.956 6.532 10.896 1.00 0.00 WT1 H
+ATOM 5613 OH2 TIP3W3360 -8.882 1.814 -21.858 1.00 0.00 WT1 O
+ATOM 5614 H1 TIP3W3360 -9.787 1.492 -21.788 1.00 0.00 WT1 H
+ATOM 5615 H2 TIP3W3360 -9.021 2.638 -22.196 1.00 0.00 WT1 H
+ATOM 5616 OH2 TIP3W3361 14.352 -0.019 -15.983 1.00 0.00 WT1 O
+ATOM 5617 H1 TIP3W3361 13.765 -0.035 -16.702 1.00 0.00 WT1 H
+ATOM 5618 H2 TIP3W3361 13.794 -0.448 -15.248 1.00 0.00 WT1 H
+ATOM 5619 OH2 TIP3W3362 13.006 6.989 -8.944 1.00 0.00 WT1 O
+ATOM 5620 H1 TIP3W3362 13.135 6.324 -8.260 1.00 0.00 WT1 H
+ATOM 5621 H2 TIP3W3362 12.022 7.069 -9.016 1.00 0.00 WT1 H
+ATOM 5622 OH2 TIP3W3363 10.355 14.978 -12.680 1.00 0.00 WT1 O
+ATOM 5623 H1 TIP3W3363 9.381 15.151 -12.618 1.00 0.00 WT1 H
+ATOM 5624 H2 TIP3W3363 10.498 14.502 -11.862 1.00 0.00 WT1 H
+ATOM 5625 OH2 TIP3W3364 1.898 4.005 -10.243 1.00 0.00 WT1 O
+ATOM 5626 H1 TIP3W3364 1.899 4.064 -11.220 1.00 0.00 WT1 H
+ATOM 5627 H2 TIP3W3364 1.572 3.124 -10.126 1.00 0.00 WT1 H
+ATOM 5628 OH2 TIP3W3366 15.216 11.455 -9.288 1.00 0.00 WT1 O
+ATOM 5629 H1 TIP3W3366 15.959 11.794 -9.771 1.00 0.00 WT1 H
+ATOM 5630 H2 TIP3W3366 15.208 10.481 -9.533 1.00 0.00 WT1 H
+ATOM 5631 OH2 TIP3W3368 -13.385 22.354 4.195 1.00 0.00 WT1 O
+ATOM 5632 H1 TIP3W3368 -12.866 22.789 3.440 1.00 0.00 WT1 H
+ATOM 5633 H2 TIP3W3368 -12.705 21.916 4.842 1.00 0.00 WT1 H
+ATOM 5634 OH2 TIP3W3369 8.449 -3.220 14.913 1.00 0.00 WT1 O
+ATOM 5635 H1 TIP3W3369 9.332 -3.413 14.557 1.00 0.00 WT1 H
+ATOM 5636 H2 TIP3W3369 8.246 -2.447 14.390 1.00 0.00 WT1 H
+ATOM 5637 OH2 TIP3W3370 -8.643 12.975 15.581 1.00 0.00 WT1 O
+ATOM 5638 H1 TIP3W3370 -8.584 13.880 15.226 1.00 0.00 WT1 H
+ATOM 5639 H2 TIP3W3370 -9.231 13.060 16.317 1.00 0.00 WT1 H
+ATOM 5640 OH2 TIP3W3372 2.001 14.139 21.113 1.00 0.00 WT1 O
+ATOM 5641 H1 TIP3W3372 2.666 13.670 20.569 1.00 0.00 WT1 H
+ATOM 5642 H2 TIP3W3372 1.323 13.422 21.043 1.00 0.00 WT1 H
+ATOM 5643 OH2 TIP3W3373 -8.041 6.239 19.075 1.00 0.00 WT1 O
+ATOM 5644 H1 TIP3W3373 -8.708 6.320 19.828 1.00 0.00 WT1 H
+ATOM 5645 H2 TIP3W3373 -7.656 5.338 19.147 1.00 0.00 WT1 H
+ATOM 5646 OH2 TIP3W3375 20.137 12.732 11.963 1.00 0.00 WT1 O
+ATOM 5647 H1 TIP3W3375 19.239 12.988 11.611 1.00 0.00 WT1 H
+ATOM 5648 H2 TIP3W3375 20.513 13.608 12.087 1.00 0.00 WT1 H
+ATOM 5649 OH2 TIP3W3377 -8.454 21.137 12.683 1.00 0.00 WT1 O
+ATOM 5650 H1 TIP3W3377 -8.970 21.963 12.619 1.00 0.00 WT1 H
+ATOM 5651 H2 TIP3W3377 -7.792 21.298 13.363 1.00 0.00 WT1 H
+ATOM 5652 OH2 TIP3W3381 -5.929 6.054 -16.221 1.00 0.00 WT1 O
+ATOM 5653 H1 TIP3W3381 -5.238 5.476 -15.847 1.00 0.00 WT1 H
+ATOM 5654 H2 TIP3W3381 -5.453 6.832 -16.494 1.00 0.00 WT1 H
+ATOM 5655 OH2 TIP3W3382 -6.549 -1.767 -21.766 1.00 0.00 WT1 O
+ATOM 5656 H1 TIP3W3382 -6.329 -2.665 -21.670 1.00 0.00 WT1 H
+ATOM 5657 H2 TIP3W3382 -6.695 -1.545 -20.807 1.00 0.00 WT1 H
+ATOM 5658 OH2 TIP3W3383 -3.226 30.075 -10.840 1.00 0.00 WT1 O
+ATOM 5659 H1 TIP3W3383 -3.276 30.359 -9.883 1.00 0.00 WT1 H
+ATOM 5660 H2 TIP3W3383 -3.687 30.692 -11.361 1.00 0.00 WT1 H
+ATOM 5661 OH2 TIP3W3384 0.690 19.130 -21.419 1.00 0.00 WT1 O
+ATOM 5662 H1 TIP3W3384 0.328 19.993 -21.363 1.00 0.00 WT1 H
+ATOM 5663 H2 TIP3W3384 1.523 19.138 -20.911 1.00 0.00 WT1 H
+ATOM 5664 OH2 TIP3W3386 -10.026 4.507 -4.676 1.00 0.00 WT1 O
+ATOM 5665 H1 TIP3W3386 -10.275 4.434 -3.734 1.00 0.00 WT1 H
+ATOM 5666 H2 TIP3W3386 -9.414 3.809 -4.850 1.00 0.00 WT1 H
+ATOM 5667 OH2 TIP3W3388 -3.514 16.211 -8.566 1.00 0.00 WT1 O
+ATOM 5668 H1 TIP3W3388 -2.588 16.057 -8.840 1.00 0.00 WT1 H
+ATOM 5669 H2 TIP3W3388 -3.862 15.425 -8.134 1.00 0.00 WT1 H
+ATOM 5670 OH2 TIP3W3389 -12.089 21.018 -5.300 1.00 0.00 WT1 O
+ATOM 5671 H1 TIP3W3389 -11.819 20.104 -5.566 1.00 0.00 WT1 H
+ATOM 5672 H2 TIP3W3389 -12.854 21.267 -5.871 1.00 0.00 WT1 H
+ATOM 5673 OH2 TIP3W3391 0.149 17.942 10.760 1.00 0.00 WT1 O
+ATOM 5674 H1 TIP3W3391 -0.676 18.119 11.252 1.00 0.00 WT1 H
+ATOM 5675 H2 TIP3W3391 0.719 17.608 11.498 1.00 0.00 WT1 H
+ATOM 5676 OH2 TIP3W3392 -2.634 12.417 18.089 1.00 0.00 WT1 O
+ATOM 5677 H1 TIP3W3392 -2.165 11.591 17.685 1.00 0.00 WT1 H
+ATOM 5678 H2 TIP3W3392 -3.396 12.620 17.510 1.00 0.00 WT1 H
+ATOM 5679 OH2 TIP3W3393 -8.848 12.229 21.086 1.00 0.00 WT1 O
+ATOM 5680 H1 TIP3W3393 -8.313 12.635 21.807 1.00 0.00 WT1 H
+ATOM 5681 H2 TIP3W3393 -8.920 12.956 20.499 1.00 0.00 WT1 H
+ATOM 5682 OH2 TIP3W3396 -2.670 11.636 20.686 1.00 0.00 WT1 O
+ATOM 5683 H1 TIP3W3396 -2.510 11.793 19.699 1.00 0.00 WT1 H
+ATOM 5684 H2 TIP3W3396 -3.438 12.213 20.799 1.00 0.00 WT1 H
+ATOM 5685 OH2 TIP3W3397 14.630 13.835 14.564 1.00 0.00 WT1 O
+ATOM 5686 H1 TIP3W3397 15.457 13.526 14.208 1.00 0.00 WT1 H
+ATOM 5687 H2 TIP3W3397 14.892 14.265 15.371 1.00 0.00 WT1 H
+ATOM 5688 OH2 TIP3W3401 -6.179 8.267 18.588 1.00 0.00 WT1 O
+ATOM 5689 H1 TIP3W3401 -6.878 7.535 18.445 1.00 0.00 WT1 H
+ATOM 5690 H2 TIP3W3401 -6.670 8.879 19.048 1.00 0.00 WT1 H
+ATOM 5691 OH2 TIP3W3402 6.863 0.109 -21.748 1.00 0.00 WT1 O
+ATOM 5692 H1 TIP3W3402 6.395 -0.461 -21.112 1.00 0.00 WT1 H
+ATOM 5693 H2 TIP3W3402 6.493 -0.120 -22.557 1.00 0.00 WT1 H
+ATOM 5694 OH2 TIP3W3404 1.705 12.492 -20.471 1.00 0.00 WT1 O
+ATOM 5695 H1 TIP3W3404 1.487 12.949 -19.634 1.00 0.00 WT1 H
+ATOM 5696 H2 TIP3W3404 2.353 13.057 -20.878 1.00 0.00 WT1 H
+ATOM 5697 OH2 TIP3W3405 -0.537 24.892 -15.104 1.00 0.00 WT1 O
+ATOM 5698 H1 TIP3W3405 -1.325 25.195 -14.650 1.00 0.00 WT1 H
+ATOM 5699 H2 TIP3W3405 -0.364 25.559 -15.814 1.00 0.00 WT1 H
+ATOM 5700 OH2 TIP3W3406 -13.243 9.349 -4.605 1.00 0.00 WT1 O
+ATOM 5701 H1 TIP3W3406 -12.633 9.725 -3.970 1.00 0.00 WT1 H
+ATOM 5702 H2 TIP3W3406 -12.837 8.432 -4.670 1.00 0.00 WT1 H
+ATOM 5703 OH2 TIP3W3407 9.952 3.908 -16.398 1.00 0.00 WT1 O
+ATOM 5704 H1 TIP3W3407 9.003 3.726 -16.639 1.00 0.00 WT1 H
+ATOM 5705 H2 TIP3W3407 10.159 4.571 -17.137 1.00 0.00 WT1 H
+ATOM 5706 OH2 TIP3W3408 3.271 -3.112 -11.313 1.00 0.00 WT1 O
+ATOM 5707 H1 TIP3W3408 2.982 -2.760 -12.178 1.00 0.00 WT1 H
+ATOM 5708 H2 TIP3W3408 3.517 -4.008 -11.521 1.00 0.00 WT1 H
+ATOM 5709 OH2 TIP3W3409 11.225 12.691 -16.684 1.00 0.00 WT1 O
+ATOM 5710 H1 TIP3W3409 11.241 11.764 -16.424 1.00 0.00 WT1 H
+ATOM 5711 H2 TIP3W3409 12.016 12.784 -17.219 1.00 0.00 WT1 H
+ATOM 5712 OH2 TIP3W3410 1.783 22.661 2.543 1.00 0.00 WT1 O
+ATOM 5713 H1 TIP3W3410 1.223 23.143 1.940 1.00 0.00 WT1 H
+ATOM 5714 H2 TIP3W3410 2.638 23.058 2.259 1.00 0.00 WT1 H
+ATOM 5715 OH2 TIP3W3411 -7.985 17.266 -3.520 1.00 0.00 WT1 O
+ATOM 5716 H1 TIP3W3411 -8.814 17.818 -3.443 1.00 0.00 WT1 H
+ATOM 5717 H2 TIP3W3411 -8.131 16.904 -4.416 1.00 0.00 WT1 H
+ATOM 5718 OH2 TIP3W3412 -9.821 23.516 8.563 1.00 0.00 WT1 O
+ATOM 5719 H1 TIP3W3412 -9.767 23.261 7.593 1.00 0.00 WT1 H
+ATOM 5720 H2 TIP3W3412 -9.875 22.598 9.008 1.00 0.00 WT1 H
+ATOM 5721 OH2 TIP3W3413 -2.585 5.359 21.916 1.00 0.00 WT1 O
+ATOM 5722 H1 TIP3W3413 -3.310 6.063 22.014 1.00 0.00 WT1 H
+ATOM 5723 H2 TIP3W3413 -2.064 5.725 21.172 1.00 0.00 WT1 H
+ATOM 5724 OH2 TIP3W3414 -4.199 22.999 14.695 1.00 0.00 WT1 O
+ATOM 5725 H1 TIP3W3414 -4.178 22.937 13.706 1.00 0.00 WT1 H
+ATOM 5726 H2 TIP3W3414 -4.338 23.920 14.904 1.00 0.00 WT1 H
+ATOM 5727 OH2 TIP3W3415 -4.902 1.318 19.429 1.00 0.00 WT1 O
+ATOM 5728 H1 TIP3W3415 -4.966 1.801 20.233 1.00 0.00 WT1 H
+ATOM 5729 H2 TIP3W3415 -4.269 0.597 19.622 1.00 0.00 WT1 H
+ATOM 5730 OH2 TIP3W3417 -6.532 21.606 14.633 1.00 0.00 WT1 O
+ATOM 5731 H1 TIP3W3417 -5.598 21.914 14.848 1.00 0.00 WT1 H
+ATOM 5732 H2 TIP3W3417 -6.621 20.789 15.089 1.00 0.00 WT1 H
+ATOM 5733 OH2 TIP3W3418 6.721 11.263 22.740 1.00 0.00 WT1 O
+ATOM 5734 H1 TIP3W3418 7.054 10.452 22.304 1.00 0.00 WT1 H
+ATOM 5735 H2 TIP3W3418 7.059 12.032 22.235 1.00 0.00 WT1 H
+ATOM 5736 OH2 TIP3W3424 -1.882 16.605 -17.620 1.00 0.00 WT1 O
+ATOM 5737 H1 TIP3W3424 -1.314 17.245 -17.164 1.00 0.00 WT1 H
+ATOM 5738 H2 TIP3W3424 -2.609 16.527 -16.998 1.00 0.00 WT1 H
+ATOM 5739 OH2 TIP3W3426 -6.844 -30.582 -13.420 1.00 0.00 WT1 O
+ATOM 5740 H1 TIP3W3426 -5.887 -30.853 -13.465 1.00 0.00 WT1 H
+ATOM 5741 H2 TIP3W3426 -7.337 -31.233 -12.823 1.00 0.00 WT1 H
+ATOM 5742 OH2 TIP3W3427 -9.246 8.871 -9.483 1.00 0.00 WT1 O
+ATOM 5743 H1 TIP3W3427 -9.860 8.869 -10.216 1.00 0.00 WT1 H
+ATOM 5744 H2 TIP3W3427 -8.384 9.053 -9.941 1.00 0.00 WT1 H
+ATOM 5745 OH2 TIP3W3428 8.395 12.334 -13.232 1.00 0.00 WT1 O
+ATOM 5746 H1 TIP3W3428 7.461 12.353 -13.421 1.00 0.00 WT1 H
+ATOM 5747 H2 TIP3W3428 8.723 11.579 -13.739 1.00 0.00 WT1 H
+ATOM 5748 OH2 TIP3W3429 9.588 5.902 -18.315 1.00 0.00 WT1 O
+ATOM 5749 H1 TIP3W3429 9.366 6.700 -18.826 1.00 0.00 WT1 H
+ATOM 5750 H2 TIP3W3429 9.440 6.234 -17.397 1.00 0.00 WT1 H
+ATOM 5751 OH2 TIP3W3431 11.042 18.635 -4.239 1.00 0.00 WT1 O
+ATOM 5752 H1 TIP3W3431 11.234 19.574 -4.506 1.00 0.00 WT1 H
+ATOM 5753 H2 TIP3W3431 11.544 18.560 -3.426 1.00 0.00 WT1 H
+ATOM 5754 OH2 TIP3W3432 -5.582 23.819 8.096 1.00 0.00 WT1 O
+ATOM 5755 H1 TIP3W3432 -6.150 24.535 7.731 1.00 0.00 WT1 H
+ATOM 5756 H2 TIP3W3432 -6.134 23.065 8.128 1.00 0.00 WT1 H
+ATOM 5757 OH2 TIP3W3433 -10.246 23.307 15.101 1.00 0.00 WT1 O
+ATOM 5758 H1 TIP3W3433 -10.570 23.608 15.988 1.00 0.00 WT1 H
+ATOM 5759 H2 TIP3W3433 -9.417 23.818 14.930 1.00 0.00 WT1 H
+ATOM 5760 OH2 TIP3W3434 1.050 -30.288 10.056 1.00 0.00 WT1 O
+ATOM 5761 H1 TIP3W3434 1.134 -30.862 10.833 1.00 0.00 WT1 H
+ATOM 5762 H2 TIP3W3434 0.159 -30.004 10.058 1.00 0.00 WT1 H
+ATOM 5763 OH2 TIP3W3435 0.021 31.510 5.808 1.00 0.00 WT1 O
+ATOM 5764 H1 TIP3W3435 0.128 30.578 5.657 1.00 0.00 WT1 H
+ATOM 5765 H2 TIP3W3435 0.832 31.834 6.271 1.00 0.00 WT1 H
+ATOM 5766 OH2 TIP3W3437 -16.430 16.101 13.939 1.00 0.00 WT1 O
+ATOM 5767 H1 TIP3W3437 -15.838 16.864 13.755 1.00 0.00 WT1 H
+ATOM 5768 H2 TIP3W3437 -16.137 15.421 13.280 1.00 0.00 WT1 H
+ATOM 5769 OH2 TIP3W3439 -10.654 18.067 21.423 1.00 0.00 WT1 O
+ATOM 5770 H1 TIP3W3439 -11.289 17.329 21.245 1.00 0.00 WT1 H
+ATOM 5771 H2 TIP3W3439 -11.247 18.841 21.299 1.00 0.00 WT1 H
+ATOM 5772 OH2 TIP3W3442 -6.016 -19.284 -21.238 1.00 0.00 WT1 O
+ATOM 5773 H1 TIP3W3442 -5.106 -19.386 -21.646 1.00 0.00 WT1 H
+ATOM 5774 H2 TIP3W3442 -6.304 -18.311 -21.532 1.00 0.00 WT1 H
+ATOM 5775 OH2 TIP3W3444 -9.819 24.697 -18.744 1.00 0.00 WT1 O
+ATOM 5776 H1 TIP3W3444 -10.317 24.074 -18.185 1.00 0.00 WT1 H
+ATOM 5777 H2 TIP3W3444 -10.521 25.060 -19.324 1.00 0.00 WT1 H
+ATOM 5778 OH2 TIP3W3445 12.614 14.027 -22.142 1.00 0.00 WT1 O
+ATOM 5779 H1 TIP3W3445 12.235 14.577 -22.817 1.00 0.00 WT1 H
+ATOM 5780 H2 TIP3W3445 11.900 13.979 -21.494 1.00 0.00 WT1 H
+ATOM 5781 OH2 TIP3W3446 2.643 24.201 -21.271 1.00 0.00 WT1 O
+ATOM 5782 H1 TIP3W3446 2.970 23.408 -21.756 1.00 0.00 WT1 H
+ATOM 5783 H2 TIP3W3446 3.277 24.232 -20.470 1.00 0.00 WT1 H
+ATOM 5784 OH2 TIP3W3447 -11.270 -30.134 -15.238 1.00 0.00 WT1 O
+ATOM 5785 H1 TIP3W3447 -11.195 -31.049 -15.043 1.00 0.00 WT1 H
+ATOM 5786 H2 TIP3W3447 -12.163 -29.928 -15.013 1.00 0.00 WT1 H
+ATOM 5787 OH2 TIP3W3448 4.370 14.014 2.180 1.00 0.00 WT1 O
+ATOM 5788 H1 TIP3W3448 4.330 13.119 2.560 1.00 0.00 WT1 H
+ATOM 5789 H2 TIP3W3448 3.617 14.037 1.589 1.00 0.00 WT1 H
+ATOM 5790 OH2 TIP3W3449 -7.835 17.168 -7.198 1.00 0.00 WT1 O
+ATOM 5791 H1 TIP3W3449 -7.285 16.424 -6.970 1.00 0.00 WT1 H
+ATOM 5792 H2 TIP3W3449 -7.305 17.645 -7.931 1.00 0.00 WT1 H
+ATOM 5793 OH2 TIP3W3450 0.708 10.055 -18.078 1.00 0.00 WT1 O
+ATOM 5794 H1 TIP3W3450 0.402 9.949 -17.185 1.00 0.00 WT1 H
+ATOM 5795 H2 TIP3W3450 -0.036 9.740 -18.631 1.00 0.00 WT1 H
+ATOM 5796 OH2 TIP3W3451 -13.633 25.004 1.846 1.00 0.00 WT1 O
+ATOM 5797 H1 TIP3W3451 -13.500 25.262 2.749 1.00 0.00 WT1 H
+ATOM 5798 H2 TIP3W3451 -13.044 24.246 1.772 1.00 0.00 WT1 H
+ATOM 5799 OH2 TIP3W3452 -6.001 22.617 -0.447 1.00 0.00 WT1 O
+ATOM 5800 H1 TIP3W3452 -6.255 23.298 0.173 1.00 0.00 WT1 H
+ATOM 5801 H2 TIP3W3452 -6.550 22.963 -1.195 1.00 0.00 WT1 H
+ATOM 5802 OH2 TIP3W3453 7.808 14.749 6.540 1.00 0.00 WT1 O
+ATOM 5803 H1 TIP3W3453 8.087 14.203 5.776 1.00 0.00 WT1 H
+ATOM 5804 H2 TIP3W3453 8.360 14.428 7.281 1.00 0.00 WT1 H
+ATOM 5805 OH2 TIP3W3454 7.452 18.431 13.360 1.00 0.00 WT1 O
+ATOM 5806 H1 TIP3W3454 6.795 18.118 13.982 1.00 0.00 WT1 H
+ATOM 5807 H2 TIP3W3454 6.914 18.688 12.575 1.00 0.00 WT1 H
+ATOM 5808 OH2 TIP3W3455 -1.070 15.117 10.137 1.00 0.00 WT1 O
+ATOM 5809 H1 TIP3W3455 -0.440 14.388 10.025 1.00 0.00 WT1 H
+ATOM 5810 H2 TIP3W3455 -0.437 15.849 10.213 1.00 0.00 WT1 H
+ATOM 5811 OH2 TIP3W3456 -2.569 18.006 4.737 1.00 0.00 WT1 O
+ATOM 5812 H1 TIP3W3456 -2.297 18.085 3.807 1.00 0.00 WT1 H
+ATOM 5813 H2 TIP3W3456 -3.095 17.173 4.784 1.00 0.00 WT1 H
+ATOM 5814 OH2 TIP3W3460 7.046 28.696 9.950 1.00 0.00 WT1 O
+ATOM 5815 H1 TIP3W3460 6.400 29.451 10.111 1.00 0.00 WT1 H
+ATOM 5816 H2 TIP3W3460 6.367 28.044 9.846 1.00 0.00 WT1 H
+ATOM 5817 OH2 TIP3W3461 -6.365 17.522 18.127 1.00 0.00 WT1 O
+ATOM 5818 H1 TIP3W3461 -7.110 18.077 18.588 1.00 0.00 WT1 H
+ATOM 5819 H2 TIP3W3461 -6.483 16.664 18.553 1.00 0.00 WT1 H
+ATOM 5820 OH2 TIP3W3462 -1.179 13.782 12.454 1.00 0.00 WT1 O
+ATOM 5821 H1 TIP3W3462 -1.163 12.878 12.886 1.00 0.00 WT1 H
+ATOM 5822 H2 TIP3W3462 -1.534 13.678 11.547 1.00 0.00 WT1 H
+ATOM 5823 OH2 TIP3W3465 5.276 22.177 -19.515 1.00 0.00 WT1 O
+ATOM 5824 H1 TIP3W3465 6.056 22.612 -19.123 1.00 0.00 WT1 H
+ATOM 5825 H2 TIP3W3465 5.586 21.272 -19.711 1.00 0.00 WT1 H
+ATOM 5826 OH2 TIP3W3466 3.197 17.950 -17.650 1.00 0.00 WT1 O
+ATOM 5827 H1 TIP3W3466 3.326 17.523 -18.536 1.00 0.00 WT1 H
+ATOM 5828 H2 TIP3W3466 2.244 17.762 -17.476 1.00 0.00 WT1 H
+ATOM 5829 OH2 TIP3W3467 -6.721 14.395 -14.011 1.00 0.00 WT1 O
+ATOM 5830 H1 TIP3W3467 -6.921 13.763 -13.333 1.00 0.00 WT1 H
+ATOM 5831 H2 TIP3W3467 -6.314 15.051 -13.461 1.00 0.00 WT1 H
+ATOM 5832 OH2 TIP3W3469 -0.840 21.639 0.471 1.00 0.00 WT1 O
+ATOM 5833 H1 TIP3W3469 -1.786 21.728 0.106 1.00 0.00 WT1 H
+ATOM 5834 H2 TIP3W3469 -0.309 21.298 -0.244 1.00 0.00 WT1 H
+ATOM 5835 OH2 TIP3W3470 6.775 13.434 -10.786 1.00 0.00 WT1 O
+ATOM 5836 H1 TIP3W3470 7.481 13.666 -11.406 1.00 0.00 WT1 H
+ATOM 5837 H2 TIP3W3470 7.021 12.592 -10.473 1.00 0.00 WT1 H
+ATOM 5838 OH2 TIP3W3471 7.621 21.418 -7.087 1.00 0.00 WT1 O
+ATOM 5839 H1 TIP3W3471 8.284 21.922 -6.539 1.00 0.00 WT1 H
+ATOM 5840 H2 TIP3W3471 8.157 20.764 -7.527 1.00 0.00 WT1 H
+ATOM 5841 OH2 TIP3W3472 5.162 26.129 -3.097 1.00 0.00 WT1 O
+ATOM 5842 H1 TIP3W3472 5.952 26.611 -2.861 1.00 0.00 WT1 H
+ATOM 5843 H2 TIP3W3472 4.468 26.836 -3.019 1.00 0.00 WT1 H
+ATOM 5844 OH2 TIP3W3473 -14.413 9.372 -7.376 1.00 0.00 WT1 O
+ATOM 5845 H1 TIP3W3473 -13.926 9.561 -6.550 1.00 0.00 WT1 H
+ATOM 5846 H2 TIP3W3473 -14.995 10.049 -7.376 1.00 0.00 WT1 H
+ATOM 5847 OH2 TIP3W3474 5.076 -31.001 8.162 1.00 0.00 WT1 O
+ATOM 5848 H1 TIP3W3474 5.570 -30.856 7.311 1.00 0.00 WT1 H
+ATOM 5849 H2 TIP3W3474 5.813 -30.875 8.826 1.00 0.00 WT1 H
+ATOM 5850 OH2 TIP3W3475 8.574 26.308 7.196 1.00 0.00 WT1 O
+ATOM 5851 H1 TIP3W3475 8.572 25.510 6.608 1.00 0.00 WT1 H
+ATOM 5852 H2 TIP3W3475 8.561 25.907 8.073 1.00 0.00 WT1 H
+ATOM 5853 OH2 TIP3W3476 8.351 -31.868 0.064 1.00 0.00 WT1 O
+ATOM 5854 H1 TIP3W3476 8.975 -31.327 -0.354 1.00 0.00 WT1 H
+ATOM 5855 H2 TIP3W3476 8.160 -31.418 0.913 1.00 0.00 WT1 H
+ATOM 5856 OH2 TIP3W3478 -3.945 21.461 17.619 1.00 0.00 WT1 O
+ATOM 5857 H1 TIP3W3478 -3.539 22.315 17.698 1.00 0.00 WT1 H
+ATOM 5858 H2 TIP3W3478 -3.542 21.004 16.845 1.00 0.00 WT1 H
+ATOM 5859 OH2 TIP3W3479 6.401 19.548 16.192 1.00 0.00 WT1 O
+ATOM 5860 H1 TIP3W3479 7.078 20.307 16.061 1.00 0.00 WT1 H
+ATOM 5861 H2 TIP3W3479 5.542 19.979 16.481 1.00 0.00 WT1 H
+ATOM 5862 OH2 TIP3W3484 4.343 -29.465 -11.643 1.00 0.00 WT1 O
+ATOM 5863 H1 TIP3W3484 4.884 -30.076 -12.149 1.00 0.00 WT1 H
+ATOM 5864 H2 TIP3W3484 3.664 -30.039 -11.242 1.00 0.00 WT1 H
+ATOM 5865 OH2 TIP3W3486 -1.114 23.929 -19.250 1.00 0.00 WT1 O
+ATOM 5866 H1 TIP3W3486 -1.010 24.617 -18.646 1.00 0.00 WT1 H
+ATOM 5867 H2 TIP3W3486 -1.202 24.497 -20.062 1.00 0.00 WT1 H
+ATOM 5868 OH2 TIP3W3488 4.483 23.180 -15.951 1.00 0.00 WT1 O
+ATOM 5869 H1 TIP3W3488 3.554 23.229 -15.711 1.00 0.00 WT1 H
+ATOM 5870 H2 TIP3W3488 4.469 22.640 -16.759 1.00 0.00 WT1 H
+ATOM 5871 OH2 TIP3W3489 7.994 17.929 -6.681 1.00 0.00 WT1 O
+ATOM 5872 H1 TIP3W3489 7.421 18.539 -7.044 1.00 0.00 WT1 H
+ATOM 5873 H2 TIP3W3489 8.837 18.211 -7.015 1.00 0.00 WT1 H
+ATOM 5874 OH2 TIP3W3490 0.652 29.287 -18.939 1.00 0.00 WT1 O
+ATOM 5875 H1 TIP3W3490 1.422 29.462 -19.530 1.00 0.00 WT1 H
+ATOM 5876 H2 TIP3W3490 1.070 29.073 -18.060 1.00 0.00 WT1 H
+ATOM 5877 OH2 TIP3W3491 -14.264 29.599 -0.935 1.00 0.00 WT1 O
+ATOM 5878 H1 TIP3W3491 -14.519 29.016 -0.279 1.00 0.00 WT1 H
+ATOM 5879 H2 TIP3W3491 -14.978 29.428 -1.524 1.00 0.00 WT1 H
+ATOM 5880 OH2 TIP3W3492 19.976 25.324 -20.513 1.00 0.00 WT1 O
+ATOM 5881 H1 TIP3W3492 19.101 25.141 -20.082 1.00 0.00 WT1 H
+ATOM 5882 H2 TIP3W3492 20.362 24.495 -20.696 1.00 0.00 WT1 H
+ATOM 5883 OH2 TIP3W3493 1.737 17.364 18.938 1.00 0.00 WT1 O
+ATOM 5884 H1 TIP3W3493 1.127 17.132 18.221 1.00 0.00 WT1 H
+ATOM 5885 H2 TIP3W3493 1.129 17.556 19.717 1.00 0.00 WT1 H
+ATOM 5886 OH2 TIP3W3494 -7.321 23.137 -4.754 1.00 0.00 WT1 O
+ATOM 5887 H1 TIP3W3494 -8.225 22.743 -4.804 1.00 0.00 WT1 H
+ATOM 5888 H2 TIP3W3494 -7.073 23.181 -5.720 1.00 0.00 WT1 H
+ATOM 5889 OH2 TIP3W3495 0.185 20.180 -1.968 1.00 0.00 WT1 O
+ATOM 5890 H1 TIP3W3495 0.745 19.370 -1.869 1.00 0.00 WT1 H
+ATOM 5891 H2 TIP3W3495 0.682 20.648 -2.670 1.00 0.00 WT1 H
+ATOM 5892 OH2 TIP3W3496 -3.951 -26.967 14.290 1.00 0.00 WT1 O
+ATOM 5893 H1 TIP3W3496 -3.285 -26.266 14.183 1.00 0.00 WT1 H
+ATOM 5894 H2 TIP3W3496 -4.652 -26.629 13.752 1.00 0.00 WT1 H
+ATOM 5895 OH2 TIP3W3497 -9.670 -29.369 21.734 1.00 0.00 WT1 O
+ATOM 5896 H1 TIP3W3497 -10.243 -29.197 20.968 1.00 0.00 WT1 H
+ATOM 5897 H2 TIP3W3497 -10.288 -29.887 22.265 1.00 0.00 WT1 H
+ATOM 5898 OH2 TIP3W3498 5.398 24.911 14.482 1.00 0.00 WT1 O
+ATOM 5899 H1 TIP3W3498 5.859 25.157 13.617 1.00 0.00 WT1 H
+ATOM 5900 H2 TIP3W3498 4.941 25.684 14.726 1.00 0.00 WT1 H
+ATOM 5901 OH2 TIP3W3499 7.220 26.571 16.276 1.00 0.00 WT1 O
+ATOM 5902 H1 TIP3W3499 6.794 25.684 16.187 1.00 0.00 WT1 H
+ATOM 5903 H2 TIP3W3499 6.760 26.976 17.074 1.00 0.00 WT1 H
+ATOM 5904 OH2 TIP3W3500 -5.028 27.590 19.366 1.00 0.00 WT1 O
+ATOM 5905 H1 TIP3W3500 -4.119 27.752 19.123 1.00 0.00 WT1 H
+ATOM 5906 H2 TIP3W3500 -5.186 26.833 18.904 1.00 0.00 WT1 H
+ATOM 5907 OH2 TIP3W3502 -9.054 29.821 15.753 1.00 0.00 WT1 O
+ATOM 5908 H1 TIP3W3502 -8.435 29.778 16.514 1.00 0.00 WT1 H
+ATOM 5909 H2 TIP3W3502 -9.621 30.535 16.051 1.00 0.00 WT1 H
+ATOM 5910 OH2 TIP3W3503 1.205 22.867 15.673 1.00 0.00 WT1 O
+ATOM 5911 H1 TIP3W3503 0.495 23.020 15.118 1.00 0.00 WT1 H
+ATOM 5912 H2 TIP3W3503 1.989 23.039 15.150 1.00 0.00 WT1 H
+ATOM 5913 OH2 TIP3W3504 1.198 -29.397 20.485 1.00 0.00 WT1 O
+ATOM 5914 H1 TIP3W3504 0.369 -29.858 20.514 1.00 0.00 WT1 H
+ATOM 5915 H2 TIP3W3504 1.151 -28.936 19.627 1.00 0.00 WT1 H
+ATOM 5916 OH2 TIP3W3508 -5.061 28.355 -13.927 1.00 0.00 WT1 O
+ATOM 5917 H1 TIP3W3508 -5.904 28.813 -13.910 1.00 0.00 WT1 H
+ATOM 5918 H2 TIP3W3508 -4.832 28.246 -13.044 1.00 0.00 WT1 H
+ATOM 5919 OH2 TIP3W3510 3.035 29.797 -5.853 1.00 0.00 WT1 O
+ATOM 5920 H1 TIP3W3510 3.370 30.518 -5.274 1.00 0.00 WT1 H
+ATOM 5921 H2 TIP3W3510 2.090 29.710 -5.630 1.00 0.00 WT1 H
+ATOM 5922 OH2 TIP3W3511 12.444 -22.360 -22.220 1.00 0.00 WT1 O
+ATOM 5923 H1 TIP3W3511 12.626 -22.289 -21.274 1.00 0.00 WT1 H
+ATOM 5924 H2 TIP3W3511 11.513 -22.617 -22.247 1.00 0.00 WT1 H
+ATOM 5925 OH2 TIP3W3512 15.937 22.370 -15.263 1.00 0.00 WT1 O
+ATOM 5926 H1 TIP3W3512 14.993 22.491 -15.492 1.00 0.00 WT1 H
+ATOM 5927 H2 TIP3W3512 15.884 22.199 -14.315 1.00 0.00 WT1 H
+ATOM 5928 OH2 TIP3W3513 8.534 -19.838 -4.186 1.00 0.00 WT1 O
+ATOM 5929 H1 TIP3W3513 8.469 -19.346 -3.298 1.00 0.00 WT1 H
+ATOM 5930 H2 TIP3W3513 9.260 -19.420 -4.662 1.00 0.00 WT1 H
+ATOM 5931 OH2 TIP3W3515 -6.857 24.661 1.021 1.00 0.00 WT1 O
+ATOM 5932 H1 TIP3W3515 -6.375 24.211 1.765 1.00 0.00 WT1 H
+ATOM 5933 H2 TIP3W3515 -6.814 25.580 1.173 1.00 0.00 WT1 H
+ATOM 5934 OH2 TIP3W3516 -2.357 23.672 -10.005 1.00 0.00 WT1 O
+ATOM 5935 H1 TIP3W3516 -2.282 22.916 -10.575 1.00 0.00 WT1 H
+ATOM 5936 H2 TIP3W3516 -1.661 24.206 -10.294 1.00 0.00 WT1 H
+ATOM 5937 OH2 TIP3W3517 -4.598 -31.816 17.845 1.00 0.00 WT1 O
+ATOM 5938 H1 TIP3W3517 -4.184 -31.480 17.041 1.00 0.00 WT1 H
+ATOM 5939 H2 TIP3W3517 -4.319 -31.180 18.581 1.00 0.00 WT1 H
+ATOM 5940 OH2 TIP3W3519 -13.959 28.089 7.329 1.00 0.00 WT1 O
+ATOM 5941 H1 TIP3W3519 -13.139 28.235 7.923 1.00 0.00 WT1 H
+ATOM 5942 H2 TIP3W3519 -14.395 28.942 7.313 1.00 0.00 WT1 H
+ATOM 5943 OH2 TIP3W3520 -12.774 23.120 11.813 1.00 0.00 WT1 O
+ATOM 5944 H1 TIP3W3520 -13.637 23.261 11.480 1.00 0.00 WT1 H
+ATOM 5945 H2 TIP3W3520 -12.812 22.180 12.184 1.00 0.00 WT1 H
+ATOM 5946 OH2 TIP3W3526 -1.989 -17.775 -22.132 1.00 0.00 WT1 O
+ATOM 5947 H1 TIP3W3526 -1.065 -17.610 -21.780 1.00 0.00 WT1 H
+ATOM 5948 H2 TIP3W3526 -2.439 -18.317 -21.474 1.00 0.00 WT1 H
+ATOM 5949 OH2 TIP3W3527 -4.248 -21.437 -13.075 1.00 0.00 WT1 O
+ATOM 5950 H1 TIP3W3527 -3.498 -21.844 -12.662 1.00 0.00 WT1 H
+ATOM 5951 H2 TIP3W3527 -4.275 -21.816 -13.977 1.00 0.00 WT1 H
+ATOM 5952 OH2 TIP3W3530 2.305 25.691 -16.540 1.00 0.00 WT1 O
+ATOM 5953 H1 TIP3W3530 2.222 24.772 -16.191 1.00 0.00 WT1 H
+ATOM 5954 H2 TIP3W3530 1.384 25.886 -16.919 1.00 0.00 WT1 H
+ATOM 5955 OH2 TIP3W3532 6.166 21.407 1.173 1.00 0.00 WT1 O
+ATOM 5956 H1 TIP3W3532 7.023 21.045 1.017 1.00 0.00 WT1 H
+ATOM 5957 H2 TIP3W3532 6.301 22.376 1.018 1.00 0.00 WT1 H
+ATOM 5958 OH2 TIP3W3533 14.269 -28.957 -19.126 1.00 0.00 WT1 O
+ATOM 5959 H1 TIP3W3533 13.791 -29.534 -19.690 1.00 0.00 WT1 H
+ATOM 5960 H2 TIP3W3533 14.871 -28.559 -19.804 1.00 0.00 WT1 H
+ATOM 5961 OH2 TIP3W3534 -0.922 -20.607 -10.407 1.00 0.00 WT1 O
+ATOM 5962 H1 TIP3W3534 -1.142 -19.883 -10.975 1.00 0.00 WT1 H
+ATOM 5963 H2 TIP3W3534 -0.050 -20.875 -10.722 1.00 0.00 WT1 H
+ATOM 5964 OH2 TIP3W3535 -0.764 22.146 -6.374 1.00 0.00 WT1 O
+ATOM 5965 H1 TIP3W3535 -0.682 23.075 -6.700 1.00 0.00 WT1 H
+ATOM 5966 H2 TIP3W3535 -0.828 22.389 -5.417 1.00 0.00 WT1 H
+ATOM 5967 OH2 TIP3W3536 7.512 31.443 -11.312 1.00 0.00 WT1 O
+ATOM 5968 H1 TIP3W3536 6.691 31.467 -10.804 1.00 0.00 WT1 H
+ATOM 5969 H2 TIP3W3536 7.288 31.157 -12.161 1.00 0.00 WT1 H
+ATOM 5970 OH2 TIP3W3537 -8.758 -22.285 10.737 1.00 0.00 WT1 O
+ATOM 5971 H1 TIP3W3537 -8.926 -21.520 11.254 1.00 0.00 WT1 H
+ATOM 5972 H2 TIP3W3537 -9.141 -22.025 9.910 1.00 0.00 WT1 H
+ATOM 5973 OH2 TIP3W3538 -0.305 25.044 12.457 1.00 0.00 WT1 O
+ATOM 5974 H1 TIP3W3538 -0.690 25.734 11.867 1.00 0.00 WT1 H
+ATOM 5975 H2 TIP3W3538 -0.515 24.183 12.048 1.00 0.00 WT1 H
+ATOM 5976 OH2 TIP3W3539 6.280 26.442 -0.116 1.00 0.00 WT1 O
+ATOM 5977 H1 TIP3W3539 5.306 26.183 -0.409 1.00 0.00 WT1 H
+ATOM 5978 H2 TIP3W3539 6.700 25.571 0.185 1.00 0.00 WT1 H
+ATOM 5979 OH2 TIP3W3540 17.628 30.864 4.792 1.00 0.00 WT1 O
+ATOM 5980 H1 TIP3W3540 17.026 30.089 4.815 1.00 0.00 WT1 H
+ATOM 5981 H2 TIP3W3540 18.273 30.685 5.486 1.00 0.00 WT1 H
+ATOM 5982 OH2 TIP3W3541 2.228 26.233 19.477 1.00 0.00 WT1 O
+ATOM 5983 H1 TIP3W3541 2.111 25.788 20.345 1.00 0.00 WT1 H
+ATOM 5984 H2 TIP3W3541 2.723 27.024 19.611 1.00 0.00 WT1 H
+ATOM 5985 OH2 TIP3W3542 -1.947 30.150 11.299 1.00 0.00 WT1 O
+ATOM 5986 H1 TIP3W3542 -2.487 29.533 10.750 1.00 0.00 WT1 H
+ATOM 5987 H2 TIP3W3542 -2.023 29.643 12.161 1.00 0.00 WT1 H
+ATOM 5988 OH2 TIP3W3545 -12.179 -25.758 -14.306 1.00 0.00 WT1 O
+ATOM 5989 H1 TIP3W3545 -12.776 -25.192 -13.808 1.00 0.00 WT1 H
+ATOM 5990 H2 TIP3W3545 -11.509 -25.990 -13.647 1.00 0.00 WT1 H
+ATOM 5991 OH2 TIP3W3548 -4.769 -19.647 -15.772 1.00 0.00 WT1 O
+ATOM 5992 H1 TIP3W3548 -4.480 -19.747 -14.806 1.00 0.00 WT1 H
+ATOM 5993 H2 TIP3W3548 -5.426 -18.924 -15.747 1.00 0.00 WT1 H
+ATOM 5994 OH2 TIP3W3549 -11.398 25.027 -6.829 1.00 0.00 WT1 O
+ATOM 5995 H1 TIP3W3549 -10.860 25.840 -6.807 1.00 0.00 WT1 H
+ATOM 5996 H2 TIP3W3549 -11.513 24.883 -5.860 1.00 0.00 WT1 H
+ATOM 5997 OH2 TIP3W3550 1.283 23.266 -11.982 1.00 0.00 WT1 O
+ATOM 5998 H1 TIP3W3550 1.793 23.001 -11.230 1.00 0.00 WT1 H
+ATOM 5999 H2 TIP3W3550 0.577 23.859 -11.530 1.00 0.00 WT1 H
+ATOM 6000 OH2 TIP3W3554 -3.248 -22.563 -15.670 1.00 0.00 WT1 O
+ATOM 6001 H1 TIP3W3554 -3.050 -23.196 -16.406 1.00 0.00 WT1 H
+ATOM 6002 H2 TIP3W3554 -2.360 -22.274 -15.365 1.00 0.00 WT1 H
+ATOM 6003 OH2 TIP3W3555 6.029 -27.679 -6.772 1.00 0.00 WT1 O
+ATOM 6004 H1 TIP3W3555 5.639 -28.426 -7.347 1.00 0.00 WT1 H
+ATOM 6005 H2 TIP3W3555 6.870 -27.571 -7.243 1.00 0.00 WT1 H
+ATOM 6006 OH2 TIP3W3556 -1.341 -24.291 0.774 1.00 0.00 WT1 O
+ATOM 6007 H1 TIP3W3556 -1.329 -23.867 1.609 1.00 0.00 WT1 H
+ATOM 6008 H2 TIP3W3556 -2.192 -24.735 0.674 1.00 0.00 WT1 H
+ATOM 6009 OH2 TIP3W3558 6.982 -21.883 8.121 1.00 0.00 WT1 O
+ATOM 6010 H1 TIP3W3558 7.174 -21.640 7.211 1.00 0.00 WT1 H
+ATOM 6011 H2 TIP3W3558 6.462 -22.715 8.076 1.00 0.00 WT1 H
+ATOM 6012 OH2 TIP3W3559 -3.207 31.710 -3.866 1.00 0.00 WT1 O
+ATOM 6013 H1 TIP3W3559 -4.130 32.035 -3.876 1.00 0.00 WT1 H
+ATOM 6014 H2 TIP3W3559 -3.217 30.903 -3.281 1.00 0.00 WT1 H
+ATOM 6015 OH2 TIP3W3560 -0.005 -24.830 17.712 1.00 0.00 WT1 O
+ATOM 6016 H1 TIP3W3560 0.125 -24.772 16.738 1.00 0.00 WT1 H
+ATOM 6017 H2 TIP3W3560 0.279 -25.745 17.894 1.00 0.00 WT1 H
+ATOM 6018 OH2 TIP3W3561 9.783 -27.132 6.953 1.00 0.00 WT1 O
+ATOM 6019 H1 TIP3W3561 9.346 -26.385 6.541 1.00 0.00 WT1 H
+ATOM 6020 H2 TIP3W3561 10.712 -27.030 6.645 1.00 0.00 WT1 H
+ATOM 6021 OH2 TIP3W3562 2.994 -31.577 20.724 1.00 0.00 WT1 O
+ATOM 6022 H1 TIP3W3562 2.319 -30.824 20.718 1.00 0.00 WT1 H
+ATOM 6023 H2 TIP3W3562 2.458 -32.281 21.203 1.00 0.00 WT1 H
+ATOM 6024 OH2 TIP3W3563 11.846 -26.202 12.881 1.00 0.00 WT1 O
+ATOM 6025 H1 TIP3W3563 12.643 -26.379 12.430 1.00 0.00 WT1 H
+ATOM 6026 H2 TIP3W3563 11.948 -25.200 13.130 1.00 0.00 WT1 H
+ATOM 6027 OH2 TIP3W3565 4.981 19.707 7.720 1.00 0.00 WT1 O
+ATOM 6028 H1 TIP3W3565 4.015 19.545 7.971 1.00 0.00 WT1 H
+ATOM 6029 H2 TIP3W3565 5.339 18.898 8.224 1.00 0.00 WT1 H
+ATOM 6030 OH2 TIP3W3569 5.426 -26.841 -13.605 1.00 0.00 WT1 O
+ATOM 6031 H1 TIP3W3569 5.808 -27.719 -13.506 1.00 0.00 WT1 H
+ATOM 6032 H2 TIP3W3569 5.744 -26.559 -14.481 1.00 0.00 WT1 H
+ATOM 6033 OH2 TIP3W3570 -7.408 25.216 -16.362 1.00 0.00 WT1 O
+ATOM 6034 H1 TIP3W3570 -7.613 26.104 -16.756 1.00 0.00 WT1 H
+ATOM 6035 H2 TIP3W3570 -6.849 24.840 -17.046 1.00 0.00 WT1 H
+ATOM 6036 OH2 TIP3W3572 -6.499 27.313 -11.027 1.00 0.00 WT1 O
+ATOM 6037 H1 TIP3W3572 -6.652 26.360 -11.099 1.00 0.00 WT1 H
+ATOM 6038 H2 TIP3W3572 -5.838 27.380 -10.319 1.00 0.00 WT1 H
+ATOM 6039 OH2 TIP3W3573 2.745 -22.527 -18.815 1.00 0.00 WT1 O
+ATOM 6040 H1 TIP3W3573 2.417 -22.995 -19.642 1.00 0.00 WT1 H
+ATOM 6041 H2 TIP3W3573 2.740 -23.268 -18.150 1.00 0.00 WT1 H
+ATOM 6042 OH2 TIP3W3575 -1.894 -13.665 -11.061 1.00 0.00 WT1 O
+ATOM 6043 H1 TIP3W3575 -2.412 -13.826 -10.247 1.00 0.00 WT1 H
+ATOM 6044 H2 TIP3W3575 -1.691 -14.587 -11.339 1.00 0.00 WT1 H
+ATOM 6045 OH2 TIP3W3576 6.238 -22.829 11.083 1.00 0.00 WT1 O
+ATOM 6046 H1 TIP3W3576 6.809 -23.568 10.898 1.00 0.00 WT1 H
+ATOM 6047 H2 TIP3W3576 6.317 -22.299 10.345 1.00 0.00 WT1 H
+ATOM 6048 OH2 TIP3W3578 6.879 -26.462 17.932 1.00 0.00 WT1 O
+ATOM 6049 H1 TIP3W3578 7.836 -26.265 18.113 1.00 0.00 WT1 H
+ATOM 6050 H2 TIP3W3578 6.484 -25.621 18.213 1.00 0.00 WT1 H
+ATOM 6051 OH2 TIP3W3579 9.718 -27.382 9.600 1.00 0.00 WT1 O
+ATOM 6052 H1 TIP3W3579 10.676 -27.305 9.914 1.00 0.00 WT1 H
+ATOM 6053 H2 TIP3W3579 9.855 -27.542 8.625 1.00 0.00 WT1 H
+ATOM 6054 OH2 TIP3W3580 1.325 -15.517 13.398 1.00 0.00 WT1 O
+ATOM 6055 H1 TIP3W3580 1.496 -16.211 12.769 1.00 0.00 WT1 H
+ATOM 6056 H2 TIP3W3580 1.181 -16.092 14.141 1.00 0.00 WT1 H
+ATOM 6057 OH2 TIP3W3581 1.893 30.405 19.446 1.00 0.00 WT1 O
+ATOM 6058 H1 TIP3W3581 1.167 30.498 20.081 1.00 0.00 WT1 H
+ATOM 6059 H2 TIP3W3581 2.010 31.273 18.967 1.00 0.00 WT1 H
+ATOM 6060 OH2 TIP3W3582 9.795 -18.596 9.847 1.00 0.00 WT1 O
+ATOM 6061 H1 TIP3W3582 10.180 -17.739 9.892 1.00 0.00 WT1 H
+ATOM 6062 H2 TIP3W3582 9.627 -18.768 10.771 1.00 0.00 WT1 H
+ATOM 6063 OH2 TIP3W3583 18.390 -22.899 20.427 1.00 0.00 WT1 O
+ATOM 6064 H1 TIP3W3583 17.870 -22.212 19.830 1.00 0.00 WT1 H
+ATOM 6065 H2 TIP3W3583 18.713 -23.589 19.817 1.00 0.00 WT1 H
+ATOM 6066 OH2 TIP3W3586 -1.208 -19.383 15.260 1.00 0.00 WT1 O
+ATOM 6067 H1 TIP3W3586 -2.039 -19.578 14.787 1.00 0.00 WT1 H
+ATOM 6068 H2 TIP3W3586 -0.988 -20.189 15.720 1.00 0.00 WT1 H
+ATOM 6069 OH2 TIP3W3591 -3.980 27.763 -20.699 1.00 0.00 WT1 O
+ATOM 6070 H1 TIP3W3591 -4.815 27.535 -21.074 1.00 0.00 WT1 H
+ATOM 6071 H2 TIP3W3591 -3.546 28.319 -21.362 1.00 0.00 WT1 H
+ATOM 6072 OH2 TIP3W3592 -4.075 4.736 -14.859 1.00 0.00 WT1 O
+ATOM 6073 H1 TIP3W3592 -3.516 3.900 -15.043 1.00 0.00 WT1 H
+ATOM 6074 H2 TIP3W3592 -4.379 4.584 -13.889 1.00 0.00 WT1 H
+ATOM 6075 OH2 TIP3W3593 9.427 -19.588 -21.471 1.00 0.00 WT1 O
+ATOM 6076 H1 TIP3W3593 9.874 -18.887 -20.939 1.00 0.00 WT1 H
+ATOM 6077 H2 TIP3W3593 9.115 -20.230 -20.840 1.00 0.00 WT1 H
+ATOM 6078 OH2 TIP3W3594 3.112 31.636 -15.629 1.00 0.00 WT1 O
+ATOM 6079 H1 TIP3W3594 2.898 31.153 -14.759 1.00 0.00 WT1 H
+ATOM 6080 H2 TIP3W3594 2.982 30.944 -16.268 1.00 0.00 WT1 H
+ATOM 6081 OH2 TIP3W3595 1.413 -18.066 -11.975 1.00 0.00 WT1 O
+ATOM 6082 H1 TIP3W3595 0.692 -17.818 -12.473 1.00 0.00 WT1 H
+ATOM 6083 H2 TIP3W3595 2.003 -17.326 -12.145 1.00 0.00 WT1 H
+ATOM 6084 OH2 TIP3W3596 -15.012 -12.987 -18.477 1.00 0.00 WT1 O
+ATOM 6085 H1 TIP3W3596 -14.882 -13.072 -19.515 1.00 0.00 WT1 H
+ATOM 6086 H2 TIP3W3596 -14.616 -12.152 -18.237 1.00 0.00 WT1 H
+ATOM 6087 OH2 TIP3W3597 -3.012 -11.741 -12.477 1.00 0.00 WT1 O
+ATOM 6088 H1 TIP3W3597 -2.517 -12.505 -12.160 1.00 0.00 WT1 H
+ATOM 6089 H2 TIP3W3597 -3.759 -11.723 -11.866 1.00 0.00 WT1 H
+ATOM 6090 OH2 TIP3W3598 18.083 -18.981 11.746 1.00 0.00 WT1 O
+ATOM 6091 H1 TIP3W3598 18.157 -19.436 12.588 1.00 0.00 WT1 H
+ATOM 6092 H2 TIP3W3598 18.829 -19.357 11.268 1.00 0.00 WT1 H
+ATOM 6093 OH2 TIP3W3599 3.841 -25.666 -3.890 1.00 0.00 WT1 O
+ATOM 6094 H1 TIP3W3599 3.297 -26.242 -3.328 1.00 0.00 WT1 H
+ATOM 6095 H2 TIP3W3599 3.679 -24.809 -3.475 1.00 0.00 WT1 H
+ATOM 6096 OH2 TIP3W3601 3.747 -13.051 7.213 1.00 0.00 WT1 O
+ATOM 6097 H1 TIP3W3601 2.974 -12.596 6.718 1.00 0.00 WT1 H
+ATOM 6098 H2 TIP3W3601 3.734 -12.498 8.058 1.00 0.00 WT1 H
+ATOM 6099 OH2 TIP3W3602 6.743 -19.842 18.485 1.00 0.00 WT1 O
+ATOM 6100 H1 TIP3W3602 6.130 -20.553 18.638 1.00 0.00 WT1 H
+ATOM 6101 H2 TIP3W3602 7.501 -20.199 19.020 1.00 0.00 WT1 H
+ATOM 6102 OH2 TIP3W3603 -1.742 -21.584 4.463 1.00 0.00 WT1 O
+ATOM 6103 H1 TIP3W3603 -2.325 -22.330 4.601 1.00 0.00 WT1 H
+ATOM 6104 H2 TIP3W3603 -2.180 -20.854 4.890 1.00 0.00 WT1 H
+ATOM 6105 OH2 TIP3W3604 8.374 -17.724 14.259 1.00 0.00 WT1 O
+ATOM 6106 H1 TIP3W3604 9.159 -18.012 13.718 1.00 0.00 WT1 H
+ATOM 6107 H2 TIP3W3604 7.671 -17.547 13.587 1.00 0.00 WT1 H
+ATOM 6108 OH2 TIP3W3612 4.626 -26.856 -21.232 1.00 0.00 WT1 O
+ATOM 6109 H1 TIP3W3612 4.216 -27.287 -20.570 1.00 0.00 WT1 H
+ATOM 6110 H2 TIP3W3612 5.237 -26.291 -20.771 1.00 0.00 WT1 H
+ATOM 6111 OH2 TIP3W3614 0.545 -13.422 -9.513 1.00 0.00 WT1 O
+ATOM 6112 H1 TIP3W3614 -0.299 -13.623 -9.989 1.00 0.00 WT1 H
+ATOM 6113 H2 TIP3W3614 1.007 -14.262 -9.542 1.00 0.00 WT1 H
+ATOM 6114 OH2 TIP3W3615 1.641 -15.909 -9.544 1.00 0.00 WT1 O
+ATOM 6115 H1 TIP3W3615 1.474 -16.616 -8.978 1.00 0.00 WT1 H
+ATOM 6116 H2 TIP3W3615 2.232 -16.260 -10.215 1.00 0.00 WT1 H
+ATOM 6117 OH2 TIP3W3616 17.210 -16.293 2.848 1.00 0.00 WT1 O
+ATOM 6118 H1 TIP3W3616 17.944 -16.938 2.638 1.00 0.00 WT1 H
+ATOM 6119 H2 TIP3W3616 17.290 -15.535 2.185 1.00 0.00 WT1 H
+ATOM 6120 OH2 TIP3W3617 6.473 -1.937 2.966 1.00 0.00 WT1 O
+ATOM 6121 H1 TIP3W3617 6.457 -2.298 3.874 1.00 0.00 WT1 H
+ATOM 6122 H2 TIP3W3617 5.640 -2.314 2.598 1.00 0.00 WT1 H
+ATOM 6123 OH2 TIP3W3618 -12.136 -16.965 3.949 1.00 0.00 WT1 O
+ATOM 6124 H1 TIP3W3618 -11.948 -17.164 4.837 1.00 0.00 WT1 H
+ATOM 6125 H2 TIP3W3618 -11.962 -15.998 3.905 1.00 0.00 WT1 H
+ATOM 6126 OH2 TIP3W3619 -4.649 -27.750 -11.991 1.00 0.00 WT1 O
+ATOM 6127 H1 TIP3W3619 -4.668 -28.485 -11.315 1.00 0.00 WT1 H
+ATOM 6128 H2 TIP3W3619 -4.882 -28.234 -12.779 1.00 0.00 WT1 H
+ATOM 6129 OH2 TIP3W3620 0.872 -20.898 5.101 1.00 0.00 WT1 O
+ATOM 6130 H1 TIP3W3620 1.248 -21.531 4.482 1.00 0.00 WT1 H
+ATOM 6131 H2 TIP3W3620 -0.103 -21.088 5.089 1.00 0.00 WT1 H
+ATOM 6132 OH2 TIP3W3621 9.929 -16.201 3.279 1.00 0.00 WT1 O
+ATOM 6133 H1 TIP3W3621 10.236 -16.501 4.098 1.00 0.00 WT1 H
+ATOM 6134 H2 TIP3W3621 10.015 -15.252 3.338 1.00 0.00 WT1 H
+ATOM 6135 OH2 TIP3W3622 9.257 -31.956 7.921 1.00 0.00 WT1 O
+ATOM 6136 H1 TIP3W3622 9.444 -32.241 8.804 1.00 0.00 WT1 H
+ATOM 6137 H2 TIP3W3622 10.153 -31.702 7.573 1.00 0.00 WT1 H
+ATOM 6138 OH2 TIP3W3623 8.943 -26.194 -7.949 1.00 0.00 WT1 O
+ATOM 6139 H1 TIP3W3623 9.400 -27.056 -7.831 1.00 0.00 WT1 H
+ATOM 6140 H2 TIP3W3623 8.582 -26.294 -8.851 1.00 0.00 WT1 H
+ATOM 6141 OH2 TIP3W3625 -2.654 -1.810 7.597 1.00 0.00 WT1 O
+ATOM 6142 H1 TIP3W3625 -2.719 -2.121 8.453 1.00 0.00 WT1 H
+ATOM 6143 H2 TIP3W3625 -3.456 -2.055 7.151 1.00 0.00 WT1 H
+ATOM 6144 OH2 TIP3W3626 -2.435 -22.439 9.097 1.00 0.00 WT1 O
+ATOM 6145 H1 TIP3W3626 -1.695 -23.073 9.290 1.00 0.00 WT1 H
+ATOM 6146 H2 TIP3W3626 -1.962 -21.573 9.074 1.00 0.00 WT1 H
+ATOM 6147 OH2 TIP3W3627 -5.210 -20.507 15.585 1.00 0.00 WT1 O
+ATOM 6148 H1 TIP3W3627 -4.549 -20.596 16.304 1.00 0.00 WT1 H
+ATOM 6149 H2 TIP3W3627 -5.779 -21.251 15.719 1.00 0.00 WT1 H
+ATOM 6150 OH2 TIP3W3628 -0.883 -15.398 10.956 1.00 0.00 WT1 O
+ATOM 6151 H1 TIP3W3628 -0.539 -16.325 10.877 1.00 0.00 WT1 H
+ATOM 6152 H2 TIP3W3628 -0.243 -14.897 10.496 1.00 0.00 WT1 H
+ATOM 6153 OH2 TIP3W3633 4.924 -9.698 -13.787 1.00 0.00 WT1 O
+ATOM 6154 H1 TIP3W3633 5.594 -10.264 -13.404 1.00 0.00 WT1 H
+ATOM 6155 H2 TIP3W3633 5.462 -8.832 -13.862 1.00 0.00 WT1 H
+ATOM 6156 OH2 TIP3W3634 6.248 -2.761 -6.664 1.00 0.00 WT1 O
+ATOM 6157 H1 TIP3W3634 6.359 -3.239 -5.810 1.00 0.00 WT1 H
+ATOM 6158 H2 TIP3W3634 5.283 -2.713 -6.814 1.00 0.00 WT1 H
+ATOM 6159 OH2 TIP3W3636 8.094 -9.396 -19.647 1.00 0.00 WT1 O
+ATOM 6160 H1 TIP3W3636 8.277 -8.740 -18.974 1.00 0.00 WT1 H
+ATOM 6161 H2 TIP3W3636 7.536 -9.958 -19.054 1.00 0.00 WT1 H
+ATOM 6162 OH2 TIP3W3638 7.405 -4.286 -15.962 1.00 0.00 WT1 O
+ATOM 6163 H1 TIP3W3638 6.944 -3.686 -15.355 1.00 0.00 WT1 H
+ATOM 6164 H2 TIP3W3638 8.010 -4.719 -15.324 1.00 0.00 WT1 H
+ATOM 6165 OH2 TIP3W3641 -4.191 -16.941 -8.979 1.00 0.00 WT1 O
+ATOM 6166 H1 TIP3W3641 -3.337 -17.419 -9.128 1.00 0.00 WT1 H
+ATOM 6167 H2 TIP3W3641 -4.543 -17.307 -8.169 1.00 0.00 WT1 H
+ATOM 6168 OH2 TIP3W3642 3.641 -22.278 4.649 1.00 0.00 WT1 O
+ATOM 6169 H1 TIP3W3642 3.450 -21.387 4.467 1.00 0.00 WT1 H
+ATOM 6170 H2 TIP3W3642 4.436 -22.419 4.161 1.00 0.00 WT1 H
+ATOM 6171 OH2 TIP3W3643 3.282 -22.544 7.862 1.00 0.00 WT1 O
+ATOM 6172 H1 TIP3W3643 3.055 -21.904 7.243 1.00 0.00 WT1 H
+ATOM 6173 H2 TIP3W3643 2.849 -22.257 8.721 1.00 0.00 WT1 H
+ATOM 6174 OH2 TIP3W3644 8.470 -2.719 21.673 1.00 0.00 WT1 O
+ATOM 6175 H1 TIP3W3644 7.732 -2.497 22.219 1.00 0.00 WT1 H
+ATOM 6176 H2 TIP3W3644 8.050 -3.291 20.975 1.00 0.00 WT1 H
+ATOM 6177 OH2 TIP3W3645 14.020 -3.397 19.639 1.00 0.00 WT1 O
+ATOM 6178 H1 TIP3W3645 14.936 -3.781 19.622 1.00 0.00 WT1 H
+ATOM 6179 H2 TIP3W3645 13.349 -4.050 19.986 1.00 0.00 WT1 H
+ATOM 6180 OH2 TIP3W3646 19.090 -20.156 16.640 1.00 0.00 WT1 O
+ATOM 6181 H1 TIP3W3646 19.089 -21.104 16.651 1.00 0.00 WT1 H
+ATOM 6182 H2 TIP3W3646 20.024 -19.925 16.598 1.00 0.00 WT1 H
+ATOM 6183 OH2 TIP3W3650 -10.332 -12.731 -20.965 1.00 0.00 WT1 O
+ATOM 6184 H1 TIP3W3650 -9.908 -11.869 -20.836 1.00 0.00 WT1 H
+ATOM 6185 H2 TIP3W3650 -10.471 -12.872 -21.944 1.00 0.00 WT1 H
+ATOM 6186 OH2 TIP3W3651 -5.700 -8.558 -21.632 1.00 0.00 WT1 O
+ATOM 6187 H1 TIP3W3651 -4.860 -8.282 -22.152 1.00 0.00 WT1 H
+ATOM 6188 H2 TIP3W3651 -6.335 -7.899 -21.944 1.00 0.00 WT1 H
+ATOM 6189 OH2 TIP3W3653 -2.165 -23.896 -8.623 1.00 0.00 WT1 O
+ATOM 6190 H1 TIP3W3653 -1.864 -24.157 -7.753 1.00 0.00 WT1 H
+ATOM 6191 H2 TIP3W3653 -2.671 -23.122 -8.434 1.00 0.00 WT1 H
+ATOM 6192 OH2 TIP3W3657 10.974 -17.266 -0.235 1.00 0.00 WT1 O
+ATOM 6193 H1 TIP3W3657 11.018 -16.351 0.015 1.00 0.00 WT1 H
+ATOM 6194 H2 TIP3W3657 11.040 -17.804 0.617 1.00 0.00 WT1 H
+ATOM 6195 OH2 TIP3W3658 10.763 -14.471 0.401 1.00 0.00 WT1 O
+ATOM 6196 H1 TIP3W3658 10.822 -14.027 1.277 1.00 0.00 WT1 H
+ATOM 6197 H2 TIP3W3658 11.467 -14.004 -0.138 1.00 0.00 WT1 H
+ATOM 6198 OH2 TIP3W3659 -5.385 0.235 -8.004 1.00 0.00 WT1 O
+ATOM 6199 H1 TIP3W3659 -4.795 0.934 -8.383 1.00 0.00 WT1 H
+ATOM 6200 H2 TIP3W3659 -4.831 -0.183 -7.307 1.00 0.00 WT1 H
+ATOM 6201 OH2 TIP3W3660 -8.550 -24.677 -16.550 1.00 0.00 WT1 O
+ATOM 6202 H1 TIP3W3660 -8.228 -25.269 -15.848 1.00 0.00 WT1 H
+ATOM 6203 H2 TIP3W3660 -8.700 -23.818 -16.071 1.00 0.00 WT1 H
+ATOM 6204 OH2 TIP3W3661 -14.562 -8.809 -5.759 1.00 0.00 WT1 O
+ATOM 6205 H1 TIP3W3661 -13.684 -8.930 -6.150 1.00 0.00 WT1 H
+ATOM 6206 H2 TIP3W3661 -14.936 -7.989 -6.077 1.00 0.00 WT1 H
+ATOM 6207 OH2 TIP3W3662 -3.680 -21.722 -8.101 1.00 0.00 WT1 O
+ATOM 6208 H1 TIP3W3662 -4.066 -21.212 -8.811 1.00 0.00 WT1 H
+ATOM 6209 H2 TIP3W3662 -4.313 -22.411 -7.922 1.00 0.00 WT1 H
+ATOM 6210 OH2 TIP3W3663 13.402 -13.917 11.843 1.00 0.00 WT1 O
+ATOM 6211 H1 TIP3W3663 12.666 -13.517 12.337 1.00 0.00 WT1 H
+ATOM 6212 H2 TIP3W3663 14.163 -13.718 12.473 1.00 0.00 WT1 H
+ATOM 6213 OH2 TIP3W3664 14.111 -1.088 3.994 1.00 0.00 WT1 O
+ATOM 6214 H1 TIP3W3664 14.882 -0.465 3.774 1.00 0.00 WT1 H
+ATOM 6215 H2 TIP3W3664 13.527 -0.425 4.284 1.00 0.00 WT1 H
+ATOM 6216 OH2 TIP3W3665 -19.084 -13.669 2.821 1.00 0.00 WT1 O
+ATOM 6217 H1 TIP3W3665 -18.544 -12.973 3.220 1.00 0.00 WT1 H
+ATOM 6218 H2 TIP3W3665 -19.371 -13.219 2.027 1.00 0.00 WT1 H
+ATOM 6219 OH2 TIP3W3666 -8.701 -22.143 20.100 1.00 0.00 WT1 O
+ATOM 6220 H1 TIP3W3666 -7.802 -22.537 20.009 1.00 0.00 WT1 H
+ATOM 6221 H2 TIP3W3666 -8.512 -21.227 20.507 1.00 0.00 WT1 H
+ATOM 6222 OH2 TIP3W3667 2.906 -12.581 17.220 1.00 0.00 WT1 O
+ATOM 6223 H1 TIP3W3667 2.636 -12.076 18.094 1.00 0.00 WT1 H
+ATOM 6224 H2 TIP3W3667 2.857 -11.857 16.578 1.00 0.00 WT1 H
+ATOM 6225 OH2 TIP3W3674 7.884 -13.696 -19.429 1.00 0.00 WT1 O
+ATOM 6226 H1 TIP3W3674 8.595 -13.953 -19.983 1.00 0.00 WT1 H
+ATOM 6227 H2 TIP3W3674 7.101 -13.686 -19.960 1.00 0.00 WT1 H
+ATOM 6228 OH2 TIP3W3677 -4.289 1.012 -16.850 1.00 0.00 WT1 O
+ATOM 6229 H1 TIP3W3677 -4.533 1.627 -17.574 1.00 0.00 WT1 H
+ATOM 6230 H2 TIP3W3677 -3.524 1.381 -16.424 1.00 0.00 WT1 H
+ATOM 6231 OH2 TIP3W3678 12.216 -10.300 3.103 1.00 0.00 WT1 O
+ATOM 6232 H1 TIP3W3678 11.399 -9.836 2.921 1.00 0.00 WT1 H
+ATOM 6233 H2 TIP3W3678 12.480 -10.048 4.059 1.00 0.00 WT1 H
+ATOM 6234 OH2 TIP3W3680 7.448 -18.057 2.749 1.00 0.00 WT1 O
+ATOM 6235 H1 TIP3W3680 7.066 -17.121 2.824 1.00 0.00 WT1 H
+ATOM 6236 H2 TIP3W3680 8.324 -17.904 3.020 1.00 0.00 WT1 H
+ATOM 6237 OH2 TIP3W3681 9.507 6.142 -22.354 1.00 0.00 WT1 O
+ATOM 6238 H1 TIP3W3681 10.320 6.551 -22.033 1.00 0.00 WT1 H
+ATOM 6239 H2 TIP3W3681 8.960 6.191 -21.555 1.00 0.00 WT1 H
+ATOM 6240 OH2 TIP3W3682 6.065 -19.811 -0.745 1.00 0.00 WT1 O
+ATOM 6241 H1 TIP3W3682 6.704 -20.193 -0.122 1.00 0.00 WT1 H
+ATOM 6242 H2 TIP3W3682 5.283 -20.297 -0.686 1.00 0.00 WT1 H
+ATOM 6243 OH2 TIP3W3683 -11.408 4.371 15.032 1.00 0.00 WT1 O
+ATOM 6244 H1 TIP3W3683 -11.366 3.435 15.314 1.00 0.00 WT1 H
+ATOM 6245 H2 TIP3W3683 -10.552 4.748 15.361 1.00 0.00 WT1 H
+ATOM 6246 OH2 TIP3W3685 -4.614 -6.392 11.025 1.00 0.00 WT1 O
+ATOM 6247 H1 TIP3W3685 -5.140 -7.158 11.076 1.00 0.00 WT1 H
+ATOM 6248 H2 TIP3W3685 -5.217 -5.605 10.793 1.00 0.00 WT1 H
+ATOM 6249 OH2 TIP3W3686 16.217 -11.959 15.896 1.00 0.00 WT1 O
+ATOM 6250 H1 TIP3W3686 15.297 -11.975 15.909 1.00 0.00 WT1 H
+ATOM 6251 H2 TIP3W3686 16.449 -12.778 16.353 1.00 0.00 WT1 H
+ATOM 6252 OH2 TIP3W3687 -16.680 -0.110 12.698 1.00 0.00 WT1 O
+ATOM 6253 H1 TIP3W3687 -16.697 -0.991 13.164 1.00 0.00 WT1 H
+ATOM 6254 H2 TIP3W3687 -16.882 -0.400 11.789 1.00 0.00 WT1 H
+ATOM 6255 OH2 TIP3W3690 0.675 -14.889 22.273 1.00 0.00 WT1 O
+ATOM 6256 H1 TIP3W3690 1.173 -15.704 22.495 1.00 0.00 WT1 H
+ATOM 6257 H2 TIP3W3690 -0.232 -15.209 22.336 1.00 0.00 WT1 H
+ATOM 6258 OH2 TIP3W3693 6.194 -5.883 -20.638 1.00 0.00 WT1 O
+ATOM 6259 H1 TIP3W3693 6.898 -5.215 -20.675 1.00 0.00 WT1 H
+ATOM 6260 H2 TIP3W3693 6.366 -6.282 -19.776 1.00 0.00 WT1 H
+ATOM 6261 OH2 TIP3W3697 -2.002 -3.324 -13.936 1.00 0.00 WT1 O
+ATOM 6262 H1 TIP3W3697 -2.380 -2.737 -13.190 1.00 0.00 WT1 H
+ATOM 6263 H2 TIP3W3697 -1.091 -3.029 -14.099 1.00 0.00 WT1 H
+ATOM 6264 OH2 TIP3W3698 1.583 -1.229 -16.101 1.00 0.00 WT1 O
+ATOM 6265 H1 TIP3W3698 1.536 -0.445 -16.718 1.00 0.00 WT1 H
+ATOM 6266 H2 TIP3W3698 1.175 -1.879 -16.713 1.00 0.00 WT1 H
+ATOM 6267 OH2 TIP3W3700 11.138 -5.937 -11.821 1.00 0.00 WT1 O
+ATOM 6268 H1 TIP3W3700 11.294 -6.838 -12.170 1.00 0.00 WT1 H
+ATOM 6269 H2 TIP3W3700 10.604 -6.128 -11.026 1.00 0.00 WT1 H
+ATOM 6270 OH2 TIP3W3701 12.987 -11.839 -10.795 1.00 0.00 WT1 O
+ATOM 6271 H1 TIP3W3701 12.909 -12.498 -11.505 1.00 0.00 WT1 H
+ATOM 6272 H2 TIP3W3701 13.950 -11.762 -10.695 1.00 0.00 WT1 H
+ATOM 6273 OH2 TIP3W3702 -13.426 2.680 -6.105 1.00 0.00 WT1 O
+ATOM 6274 H1 TIP3W3702 -13.693 1.896 -6.676 1.00 0.00 WT1 H
+ATOM 6275 H2 TIP3W3702 -14.075 3.381 -6.275 1.00 0.00 WT1 H
+ATOM 6276 OH2 TIP3W3704 -10.565 -14.563 7.827 1.00 0.00 WT1 O
+ATOM 6277 H1 TIP3W3704 -10.194 -13.633 7.816 1.00 0.00 WT1 H
+ATOM 6278 H2 TIP3W3704 -10.905 -14.618 8.724 1.00 0.00 WT1 H
+ATOM 6279 OH2 TIP3W3705 10.895 1.502 -2.958 1.00 0.00 WT1 O
+ATOM 6280 H1 TIP3W3705 10.821 0.967 -2.108 1.00 0.00 WT1 H
+ATOM 6281 H2 TIP3W3705 10.985 0.829 -3.613 1.00 0.00 WT1 H
+ATOM 6282 OH2 TIP3W3706 -5.314 1.520 6.012 1.00 0.00 WT1 O
+ATOM 6283 H1 TIP3W3706 -5.129 1.060 5.137 1.00 0.00 WT1 H
+ATOM 6284 H2 TIP3W3706 -6.230 1.377 6.117 1.00 0.00 WT1 H
+ATOM 6285 OH2 TIP3W3708 -6.326 -5.188 -1.278 1.00 0.00 WT1 O
+ATOM 6286 H1 TIP3W3708 -7.075 -5.754 -1.291 1.00 0.00 WT1 H
+ATOM 6287 H2 TIP3W3708 -6.235 -4.813 -2.202 1.00 0.00 WT1 H
+ATOM 6288 OH2 TIP3W3709 14.397 -1.969 14.675 1.00 0.00 WT1 O
+ATOM 6289 H1 TIP3W3709 14.240 -2.848 14.974 1.00 0.00 WT1 H
+ATOM 6290 H2 TIP3W3709 13.841 -1.423 15.199 1.00 0.00 WT1 H
+ATOM 6291 OH2 TIP3W3710 17.163 -8.976 9.223 1.00 0.00 WT1 O
+ATOM 6292 H1 TIP3W3710 16.546 -9.466 9.769 1.00 0.00 WT1 H
+ATOM 6293 H2 TIP3W3710 16.928 -9.197 8.356 1.00 0.00 WT1 H
+ATOM 6294 OH2 TIP3W3713 0.643 4.745 22.650 1.00 0.00 WT1 O
+ATOM 6295 H1 TIP3W3713 0.062 4.014 23.006 1.00 0.00 WT1 H
+ATOM 6296 H2 TIP3W3713 1.573 4.485 22.877 1.00 0.00 WT1 H
+ATOM 6297 OH2 TIP3W3714 1.873 -0.195 21.542 1.00 0.00 WT1 O
+ATOM 6298 H1 TIP3W3714 1.352 -0.362 20.764 1.00 0.00 WT1 H
+ATOM 6299 H2 TIP3W3714 1.345 -0.697 22.154 1.00 0.00 WT1 H
+ATOM 6300 OH2 TIP3W3716 4.725 -9.534 21.367 1.00 0.00 WT1 O
+ATOM 6301 H1 TIP3W3716 4.521 -10.424 21.654 1.00 0.00 WT1 H
+ATOM 6302 H2 TIP3W3716 4.409 -9.479 20.427 1.00 0.00 WT1 H
+ATOM 6303 OH2 TIP3W3718 -2.942 -7.411 -22.671 1.00 0.00 WT1 O
+ATOM 6304 H1 TIP3W3718 -2.829 -6.872 -21.829 1.00 0.00 WT1 H
+ATOM 6305 H2 TIP3W3718 -2.029 -7.666 -22.905 1.00 0.00 WT1 H
+ATOM 6306 OH2 TIP3W3719 9.480 0.617 -20.641 1.00 0.00 WT1 O
+ATOM 6307 H1 TIP3W3719 9.267 0.760 -19.684 1.00 0.00 WT1 H
+ATOM 6308 H2 TIP3W3719 8.560 0.588 -21.095 1.00 0.00 WT1 H
+ATOM 6309 OH2 TIP3W3720 0.804 -2.901 -10.064 1.00 0.00 WT1 O
+ATOM 6310 H1 TIP3W3720 1.696 -3.081 -10.482 1.00 0.00 WT1 H
+ATOM 6311 H2 TIP3W3720 0.400 -2.197 -10.585 1.00 0.00 WT1 H
+ATOM 6312 OH2 TIP3W3721 17.460 -11.654 -1.678 1.00 0.00 WT1 O
+ATOM 6313 H1 TIP3W3721 17.231 -10.878 -2.212 1.00 0.00 WT1 H
+ATOM 6314 H2 TIP3W3721 17.772 -11.257 -0.861 1.00 0.00 WT1 H
+ATOM 6315 OH2 TIP3W3722 5.701 -2.721 -14.224 1.00 0.00 WT1 O
+ATOM 6316 H1 TIP3W3722 5.462 -2.410 -13.324 1.00 0.00 WT1 H
+ATOM 6317 H2 TIP3W3722 5.010 -3.443 -14.295 1.00 0.00 WT1 H
+ATOM 6318 OH2 TIP3W3723 -11.252 -5.504 -11.890 1.00 0.00 WT1 O
+ATOM 6319 H1 TIP3W3723 -11.819 -4.711 -11.618 1.00 0.00 WT1 H
+ATOM 6320 H2 TIP3W3723 -10.795 -5.611 -11.105 1.00 0.00 WT1 H
+ATOM 6321 OH2 TIP3W3726 6.292 -7.169 18.246 1.00 0.00 WT1 O
+ATOM 6322 H1 TIP3W3726 6.466 -6.563 17.408 1.00 0.00 WT1 H
+ATOM 6323 H2 TIP3W3726 7.172 -7.620 18.331 1.00 0.00 WT1 H
+ATOM 6324 OH2 TIP3W3727 14.842 -11.185 -4.636 1.00 0.00 WT1 O
+ATOM 6325 H1 TIP3W3727 15.402 -10.435 -4.476 1.00 0.00 WT1 H
+ATOM 6326 H2 TIP3W3727 14.146 -11.015 -4.014 1.00 0.00 WT1 H
+ATOM 6327 OH2 TIP3W3728 -14.715 -7.350 0.822 1.00 0.00 WT1 O
+ATOM 6328 H1 TIP3W3728 -15.225 -6.689 0.286 1.00 0.00 WT1 H
+ATOM 6329 H2 TIP3W3728 -14.487 -8.063 0.208 1.00 0.00 WT1 H
+ATOM 6330 OH2 TIP3W3729 5.879 -12.669 16.142 1.00 0.00 WT1 O
+ATOM 6331 H1 TIP3W3729 5.364 -13.291 16.670 1.00 0.00 WT1 H
+ATOM 6332 H2 TIP3W3729 5.662 -12.946 15.238 1.00 0.00 WT1 H
+ATOM 6333 OH2 TIP3W3730 11.848 3.620 15.304 1.00 0.00 WT1 O
+ATOM 6334 H1 TIP3W3730 12.715 3.491 15.653 1.00 0.00 WT1 H
+ATOM 6335 H2 TIP3W3730 11.517 4.304 15.888 1.00 0.00 WT1 H
+ATOM 6336 OH2 TIP3W3731 -2.063 -1.230 12.170 1.00 0.00 WT1 O
+ATOM 6337 H1 TIP3W3731 -2.367 -0.358 12.533 1.00 0.00 WT1 H
+ATOM 6338 H2 TIP3W3731 -1.106 -1.131 12.225 1.00 0.00 WT1 H
+ATOM 6339 OH2 TIP3W3732 11.042 -4.663 18.482 1.00 0.00 WT1 O
+ATOM 6340 H1 TIP3W3732 11.432 -5.018 19.259 1.00 0.00 WT1 H
+ATOM 6341 H2 TIP3W3732 10.530 -3.891 18.729 1.00 0.00 WT1 H
+ATOM 6342 OH2 TIP3W3733 -3.337 -5.040 22.743 1.00 0.00 WT1 O
+ATOM 6343 H1 TIP3W3733 -2.492 -4.804 22.266 1.00 0.00 WT1 H
+ATOM 6344 H2 TIP3W3733 -3.876 -5.340 22.002 1.00 0.00 WT1 H
+ATOM 6345 OH2 TIP3W3736 -7.426 -16.090 14.634 1.00 0.00 WT1 O
+ATOM 6346 H1 TIP3W3736 -6.737 -16.656 15.064 1.00 0.00 WT1 H
+ATOM 6347 H2 TIP3W3736 -6.914 -15.586 14.000 1.00 0.00 WT1 H
+ATOM 6348 OH2 TIP3W3737 -4.736 6.187 -19.893 1.00 0.00 WT1 O
+ATOM 6349 H1 TIP3W3737 -5.243 6.958 -20.227 1.00 0.00 WT1 H
+ATOM 6350 H2 TIP3W3737 -5.387 5.477 -19.991 1.00 0.00 WT1 H
+ATOM 6351 OH2 TIP3W3740 0.737 -2.622 -13.391 1.00 0.00 WT1 O
+ATOM 6352 H1 TIP3W3740 1.565 -2.139 -13.575 1.00 0.00 WT1 H
+ATOM 6353 H2 TIP3W3740 0.715 -3.214 -14.058 1.00 0.00 WT1 H
+ATOM 6354 OH2 TIP3W3746 -4.431 4.518 6.568 1.00 0.00 WT1 O
+ATOM 6355 H1 TIP3W3746 -4.824 4.041 5.875 1.00 0.00 WT1 H
+ATOM 6356 H2 TIP3W3746 -3.879 5.178 6.098 1.00 0.00 WT1 H
+ATOM 6357 OH2 TIP3W3747 8.463 2.192 1.772 1.00 0.00 WT1 O
+ATOM 6358 H1 TIP3W3747 8.025 2.877 2.317 1.00 0.00 WT1 H
+ATOM 6359 H2 TIP3W3747 7.960 2.251 0.905 1.00 0.00 WT1 H
+ATOM 6360 OH2 TIP3W3748 12.401 18.329 12.277 1.00 0.00 WT1 O
+ATOM 6361 H1 TIP3W3748 12.485 18.825 13.083 1.00 0.00 WT1 H
+ATOM 6362 H2 TIP3W3748 12.917 17.547 12.410 1.00 0.00 WT1 H
+ATOM 6363 OH2 TIP3W3749 4.509 1.422 6.594 1.00 0.00 WT1 O
+ATOM 6364 H1 TIP3W3749 3.568 1.615 6.515 1.00 0.00 WT1 H
+ATOM 6365 H2 TIP3W3749 4.546 0.441 6.496 1.00 0.00 WT1 H
+ATOM 6366 OH2 TIP3W3750 -1.946 -15.991 22.459 1.00 0.00 WT1 O
+ATOM 6367 H1 TIP3W3750 -2.375 -15.342 21.919 1.00 0.00 WT1 H
+ATOM 6368 H2 TIP3W3750 -2.162 -16.893 22.058 1.00 0.00 WT1 H
+ATOM 6369 OH2 TIP3W3751 13.602 -14.005 15.832 1.00 0.00 WT1 O
+ATOM 6370 H1 TIP3W3751 14.143 -14.228 16.611 1.00 0.00 WT1 H
+ATOM 6371 H2 TIP3W3751 12.700 -14.090 16.132 1.00 0.00 WT1 H
+ATOM 6372 OH2 TIP3W3752 -6.212 3.096 16.504 1.00 0.00 WT1 O
+ATOM 6373 H1 TIP3W3752 -7.063 2.965 17.005 1.00 0.00 WT1 H
+ATOM 6374 H2 TIP3W3752 -5.899 2.207 16.193 1.00 0.00 WT1 H
+ATOM 6375 OH2 TIP3W3753 -7.474 -2.626 15.058 1.00 0.00 WT1 O
+ATOM 6376 H1 TIP3W3753 -6.694 -2.549 14.395 1.00 0.00 WT1 H
+ATOM 6377 H2 TIP3W3753 -7.027 -2.837 15.948 1.00 0.00 WT1 H
+ATOM 6378 OH2 TIP3W3757 11.388 -9.599 -21.023 1.00 0.00 WT1 O
+ATOM 6379 H1 TIP3W3757 12.303 -9.235 -21.073 1.00 0.00 WT1 H
+ATOM 6380 H2 TIP3W3757 11.227 -9.602 -20.084 1.00 0.00 WT1 H
+ATOM 6381 OH2 TIP3W3758 5.321 7.113 -21.106 1.00 0.00 WT1 O
+ATOM 6382 H1 TIP3W3758 6.106 6.631 -20.707 1.00 0.00 WT1 H
+ATOM 6383 H2 TIP3W3758 5.743 7.902 -21.443 1.00 0.00 WT1 H
+ATOM 6384 OH2 TIP3W3762 10.375 3.670 -20.434 1.00 0.00 WT1 O
+ATOM 6385 H1 TIP3W3762 10.649 3.545 -19.511 1.00 0.00 WT1 H
+ATOM 6386 H2 TIP3W3762 9.405 3.385 -20.462 1.00 0.00 WT1 H
+ATOM 6387 OH2 TIP3W3763 4.913 11.977 -12.347 1.00 0.00 WT1 O
+ATOM 6388 H1 TIP3W3763 4.582 11.515 -11.570 1.00 0.00 WT1 H
+ATOM 6389 H2 TIP3W3763 5.133 12.812 -12.001 1.00 0.00 WT1 H
+ATOM 6390 OH2 TIP3W3764 -10.592 2.647 -16.447 1.00 0.00 WT1 O
+ATOM 6391 H1 TIP3W3764 -10.173 2.602 -17.345 1.00 0.00 WT1 H
+ATOM 6392 H2 TIP3W3764 -10.242 3.506 -16.113 1.00 0.00 WT1 H
+ATOM 6393 OH2 TIP3W3765 10.748 17.075 -7.834 1.00 0.00 WT1 O
+ATOM 6394 H1 TIP3W3765 10.799 17.637 -8.704 1.00 0.00 WT1 H
+ATOM 6395 H2 TIP3W3765 11.547 17.223 -7.377 1.00 0.00 WT1 H
+ATOM 6396 OH2 TIP3W3766 3.735 0.373 9.648 1.00 0.00 WT1 O
+ATOM 6397 H1 TIP3W3766 3.189 -0.069 8.948 1.00 0.00 WT1 H
+ATOM 6398 H2 TIP3W3766 3.800 1.273 9.281 1.00 0.00 WT1 H
+ATOM 6399 OH2 TIP3W3767 2.610 5.506 8.548 1.00 0.00 WT1 O
+ATOM 6400 H1 TIP3W3767 3.470 5.698 8.906 1.00 0.00 WT1 H
+ATOM 6401 H2 TIP3W3767 2.390 4.673 9.071 1.00 0.00 WT1 H
+ATOM 6402 OH2 TIP3W3768 -4.589 17.436 7.666 1.00 0.00 WT1 O
+ATOM 6403 H1 TIP3W3768 -4.242 17.579 8.583 1.00 0.00 WT1 H
+ATOM 6404 H2 TIP3W3768 -4.119 18.183 7.182 1.00 0.00 WT1 H
+ATOM 6405 OH2 TIP3W3769 1.450 14.313 13.267 1.00 0.00 WT1 O
+ATOM 6406 H1 TIP3W3769 1.789 13.439 13.088 1.00 0.00 WT1 H
+ATOM 6407 H2 TIP3W3769 0.482 14.266 13.108 1.00 0.00 WT1 H
+ATOM 6408 OH2 TIP3W3770 7.453 0.458 -1.816 1.00 0.00 WT1 O
+ATOM 6409 H1 TIP3W3770 7.124 0.239 -2.700 1.00 0.00 WT1 H
+ATOM 6410 H2 TIP3W3770 7.083 1.371 -1.670 1.00 0.00 WT1 H
+ATOM 6411 OH2 TIP3W3771 8.228 2.863 12.202 1.00 0.00 WT1 O
+ATOM 6412 H1 TIP3W3771 8.405 3.391 11.464 1.00 0.00 WT1 H
+ATOM 6413 H2 TIP3W3771 8.756 3.324 12.839 1.00 0.00 WT1 H
+ATOM 6414 OH2 TIP3W3772 8.047 5.091 22.058 1.00 0.00 WT1 O
+ATOM 6415 H1 TIP3W3772 7.449 5.587 21.492 1.00 0.00 WT1 H
+ATOM 6416 H2 TIP3W3772 8.418 4.423 21.439 1.00 0.00 WT1 H
+ATOM 6417 OH2 TIP3W3773 -0.112 12.102 21.233 1.00 0.00 WT1 O
+ATOM 6418 H1 TIP3W3773 -1.114 11.967 21.115 1.00 0.00 WT1 H
+ATOM 6419 H2 TIP3W3773 -0.033 11.820 22.110 1.00 0.00 WT1 H
+ATOM 6420 OH2 TIP3W3776 -2.358 5.556 -21.392 1.00 0.00 WT1 O
+ATOM 6421 H1 TIP3W3776 -3.215 5.912 -21.098 1.00 0.00 WT1 H
+ATOM 6422 H2 TIP3W3776 -2.447 4.600 -21.531 1.00 0.00 WT1 H
+ATOM 6423 OH2 TIP3W3779 4.051 3.680 -22.190 1.00 0.00 WT1 O
+ATOM 6424 H1 TIP3W3779 4.912 3.845 -22.601 1.00 0.00 WT1 H
+ATOM 6425 H2 TIP3W3779 3.431 3.621 -22.939 1.00 0.00 WT1 H
+ATOM 6426 OH2 TIP3W3783 5.243 16.221 -9.934 1.00 0.00 WT1 O
+ATOM 6427 H1 TIP3W3783 6.035 15.801 -9.476 1.00 0.00 WT1 H
+ATOM 6428 H2 TIP3W3783 5.049 15.628 -10.644 1.00 0.00 WT1 H
+ATOM 6429 OH2 TIP3W3784 2.194 28.049 -9.586 1.00 0.00 WT1 O
+ATOM 6430 H1 TIP3W3784 1.657 28.889 -9.761 1.00 0.00 WT1 H
+ATOM 6431 H2 TIP3W3784 2.659 28.259 -8.772 1.00 0.00 WT1 H
+ATOM 6432 OH2 TIP3W3785 -0.560 8.917 -21.690 1.00 0.00 WT1 O
+ATOM 6433 H1 TIP3W3785 -0.897 9.466 -20.984 1.00 0.00 WT1 H
+ATOM 6434 H2 TIP3W3785 0.060 9.601 -22.138 1.00 0.00 WT1 H
+ATOM 6435 OH2 TIP3W3786 16.006 6.412 -8.070 1.00 0.00 WT1 O
+ATOM 6436 H1 TIP3W3786 15.499 6.075 -7.296 1.00 0.00 WT1 H
+ATOM 6437 H2 TIP3W3786 16.872 6.109 -7.713 1.00 0.00 WT1 H
+ATOM 6438 OH2 TIP3W3788 -6.933 -0.849 7.731 1.00 0.00 WT1 O
+ATOM 6439 H1 TIP3W3788 -6.638 -0.654 8.679 1.00 0.00 WT1 H
+ATOM 6440 H2 TIP3W3788 -7.699 -0.328 7.643 1.00 0.00 WT1 H
+ATOM 6441 OH2 TIP3W3789 5.923 3.237 10.491 1.00 0.00 WT1 O
+ATOM 6442 H1 TIP3W3789 6.639 2.691 10.791 1.00 0.00 WT1 H
+ATOM 6443 H2 TIP3W3789 5.324 3.461 11.306 1.00 0.00 WT1 H
+ATOM 6444 OH2 TIP3W3791 9.015 11.447 20.255 1.00 0.00 WT1 O
+ATOM 6445 H1 TIP3W3791 8.971 12.423 20.365 1.00 0.00 WT1 H
+ATOM 6446 H2 TIP3W3791 9.808 11.417 19.756 1.00 0.00 WT1 H
+ATOM 6447 OH2 TIP3W3793 11.152 3.157 12.642 1.00 0.00 WT1 O
+ATOM 6448 H1 TIP3W3793 11.289 3.293 13.566 1.00 0.00 WT1 H
+ATOM 6449 H2 TIP3W3793 12.101 2.911 12.268 1.00 0.00 WT1 H
+ATOM 6450 OH2 TIP3W3794 8.811 17.880 16.457 1.00 0.00 WT1 O
+ATOM 6451 H1 TIP3W3794 8.061 18.480 16.489 1.00 0.00 WT1 H
+ATOM 6452 H2 TIP3W3794 8.893 17.630 15.534 1.00 0.00 WT1 H
+ATOM 6453 OH2 TIP3W3796 -1.663 4.660 9.340 1.00 0.00 WT1 O
+ATOM 6454 H1 TIP3W3796 -1.635 4.114 8.557 1.00 0.00 WT1 H
+ATOM 6455 H2 TIP3W3796 -2.043 4.146 10.046 1.00 0.00 WT1 H
+ATOM 6456 OH2 TIP3W3798 3.217 9.825 -21.996 1.00 0.00 WT1 O
+ATOM 6457 H1 TIP3W3798 3.934 10.291 -21.507 1.00 0.00 WT1 H
+ATOM 6458 H2 TIP3W3798 2.464 10.079 -21.464 1.00 0.00 WT1 H
+ATOM 6459 OH2 TIP3W3800 -8.197 7.207 -15.370 1.00 0.00 WT1 O
+ATOM 6460 H1 TIP3W3800 -7.465 6.794 -15.853 1.00 0.00 WT1 H
+ATOM 6461 H2 TIP3W3800 -8.532 7.822 -16.042 1.00 0.00 WT1 H
+ATOM 6462 OH2 TIP3W3801 12.383 4.202 -22.679 1.00 0.00 WT1 O
+ATOM 6463 H1 TIP3W3801 12.236 5.155 -22.504 1.00 0.00 WT1 H
+ATOM 6464 H2 TIP3W3801 11.946 3.774 -21.963 1.00 0.00 WT1 H
+ATOM 6465 OH2 TIP3W3802 7.667 16.393 -12.373 1.00 0.00 WT1 O
+ATOM 6466 H1 TIP3W3802 6.716 16.210 -12.187 1.00 0.00 WT1 H
+ATOM 6467 H2 TIP3W3802 7.960 16.774 -11.523 1.00 0.00 WT1 H
+ATOM 6468 OH2 TIP3W3804 13.579 9.975 -11.671 1.00 0.00 WT1 O
+ATOM 6469 H1 TIP3W3804 14.193 10.599 -12.078 1.00 0.00 WT1 H
+ATOM 6470 H2 TIP3W3804 14.026 9.130 -11.559 1.00 0.00 WT1 H
+ATOM 6471 OH2 TIP3W3805 11.234 13.690 -19.818 1.00 0.00 WT1 O
+ATOM 6472 H1 TIP3W3805 11.883 13.949 -19.232 1.00 0.00 WT1 H
+ATOM 6473 H2 TIP3W3805 10.523 14.296 -19.552 1.00 0.00 WT1 H
+ATOM 6474 OH2 TIP3W3806 17.206 16.482 -7.739 1.00 0.00 WT1 O
+ATOM 6475 H1 TIP3W3806 16.519 16.364 -7.049 1.00 0.00 WT1 H
+ATOM 6476 H2 TIP3W3806 16.853 15.841 -8.362 1.00 0.00 WT1 H
+ATOM 6477 OH2 TIP3W3807 7.545 9.570 -11.101 1.00 0.00 WT1 O
+ATOM 6478 H1 TIP3W3807 8.308 10.013 -10.658 1.00 0.00 WT1 H
+ATOM 6479 H2 TIP3W3807 7.825 9.454 -11.987 1.00 0.00 WT1 H
+ATOM 6480 OH2 TIP3W3808 7.328 8.436 -6.698 1.00 0.00 WT1 O
+ATOM 6481 H1 TIP3W3808 6.464 8.462 -7.163 1.00 0.00 WT1 H
+ATOM 6482 H2 TIP3W3808 7.971 8.954 -7.262 1.00 0.00 WT1 H
+ATOM 6483 OH2 TIP3W3809 5.309 15.119 -12.802 1.00 0.00 WT1 O
+ATOM 6484 H1 TIP3W3809 5.994 14.636 -13.223 1.00 0.00 WT1 H
+ATOM 6485 H2 TIP3W3809 4.607 15.185 -13.523 1.00 0.00 WT1 H
+ATOM 6486 OH2 TIP3W3810 4.527 9.359 8.327 1.00 0.00 WT1 O
+ATOM 6487 H1 TIP3W3810 5.153 9.545 7.613 1.00 0.00 WT1 H
+ATOM 6488 H2 TIP3W3810 4.840 8.468 8.625 1.00 0.00 WT1 H
+ATOM 6489 OH2 TIP3W3811 0.514 9.959 11.737 1.00 0.00 WT1 O
+ATOM 6490 H1 TIP3W3811 0.435 9.028 11.631 1.00 0.00 WT1 H
+ATOM 6491 H2 TIP3W3811 0.183 10.279 10.886 1.00 0.00 WT1 H
+ATOM 6492 OH2 TIP3W3812 8.400 14.265 9.265 1.00 0.00 WT1 O
+ATOM 6493 H1 TIP3W3812 7.916 13.461 8.982 1.00 0.00 WT1 H
+ATOM 6494 H2 TIP3W3812 8.015 14.489 10.159 1.00 0.00 WT1 H
+ATOM 6495 OH2 TIP3W3813 -3.272 15.060 8.136 1.00 0.00 WT1 O
+ATOM 6496 H1 TIP3W3813 -3.826 15.826 8.063 1.00 0.00 WT1 H
+ATOM 6497 H2 TIP3W3813 -2.697 15.267 8.927 1.00 0.00 WT1 H
+ATOM 6498 OH2 TIP3W3814 1.348 3.629 10.547 1.00 0.00 WT1 O
+ATOM 6499 H1 TIP3W3814 0.604 3.123 10.178 1.00 0.00 WT1 H
+ATOM 6500 H2 TIP3W3814 0.946 4.254 11.223 1.00 0.00 WT1 H
+ATOM 6501 OH2 TIP3W3815 -1.828 15.133 14.750 1.00 0.00 WT1 O
+ATOM 6502 H1 TIP3W3815 -1.273 14.425 14.969 1.00 0.00 WT1 H
+ATOM 6503 H2 TIP3W3815 -1.914 15.120 13.744 1.00 0.00 WT1 H
+ATOM 6504 OH2 TIP3W3817 -5.402 3.199 21.242 1.00 0.00 WT1 O
+ATOM 6505 H1 TIP3W3817 -4.883 3.793 20.718 1.00 0.00 WT1 H
+ATOM 6506 H2 TIP3W3817 -5.615 3.785 21.970 1.00 0.00 WT1 H
+ATOM 6507 OH2 TIP3W3821 10.424 -5.735 -15.858 1.00 0.00 WT1 O
+ATOM 6508 H1 TIP3W3821 10.396 -4.769 -15.772 1.00 0.00 WT1 H
+ATOM 6509 H2 TIP3W3821 9.761 -6.033 -15.239 1.00 0.00 WT1 H
+ATOM 6510 OH2 TIP3W3823 9.996 18.164 -19.600 1.00 0.00 WT1 O
+ATOM 6511 H1 TIP3W3823 9.349 17.954 -20.266 1.00 0.00 WT1 H
+ATOM 6512 H2 TIP3W3823 9.733 19.071 -19.303 1.00 0.00 WT1 H
+ATOM 6513 OH2 TIP3W3826 12.648 16.733 -20.057 1.00 0.00 WT1 O
+ATOM 6514 H1 TIP3W3826 12.650 16.784 -19.085 1.00 0.00 WT1 H
+ATOM 6515 H2 TIP3W3826 12.054 17.507 -20.201 1.00 0.00 WT1 H
+ATOM 6516 OH2 TIP3W3827 5.289 9.640 -13.704 1.00 0.00 WT1 O
+ATOM 6517 H1 TIP3W3827 5.533 9.801 -14.649 1.00 0.00 WT1 H
+ATOM 6518 H2 TIP3W3827 5.313 10.561 -13.367 1.00 0.00 WT1 H
+ATOM 6519 OH2 TIP3W3828 11.088 11.806 -12.485 1.00 0.00 WT1 O
+ATOM 6520 H1 TIP3W3828 10.167 12.098 -12.606 1.00 0.00 WT1 H
+ATOM 6521 H2 TIP3W3828 11.120 11.531 -11.527 1.00 0.00 WT1 H
+ATOM 6522 OH2 TIP3W3829 9.645 -1.411 -9.486 1.00 0.00 WT1 O
+ATOM 6523 H1 TIP3W3829 8.745 -1.063 -9.314 1.00 0.00 WT1 H
+ATOM 6524 H2 TIP3W3829 9.465 -2.132 -10.138 1.00 0.00 WT1 H
+ATOM 6525 OH2 TIP3W3830 -1.278 8.205 19.739 1.00 0.00 WT1 O
+ATOM 6526 H1 TIP3W3830 -0.616 7.571 20.042 1.00 0.00 WT1 H
+ATOM 6527 H2 TIP3W3830 -2.023 7.623 19.699 1.00 0.00 WT1 H
+ATOM 6528 OH2 TIP3W3831 13.928 9.031 4.834 1.00 0.00 WT1 O
+ATOM 6529 H1 TIP3W3831 14.669 8.384 4.907 1.00 0.00 WT1 H
+ATOM 6530 H2 TIP3W3831 14.280 9.846 4.475 1.00 0.00 WT1 H
+ATOM 6531 OH2 TIP3W3832 -10.277 13.214 11.360 1.00 0.00 WT1 O
+ATOM 6532 H1 TIP3W3832 -10.947 12.631 10.919 1.00 0.00 WT1 H
+ATOM 6533 H2 TIP3W3832 -10.860 13.835 11.818 1.00 0.00 WT1 H
+ATOM 6534 OH2 TIP3W3833 3.762 5.715 5.929 1.00 0.00 WT1 O
+ATOM 6535 H1 TIP3W3833 4.524 5.042 5.924 1.00 0.00 WT1 H
+ATOM 6536 H2 TIP3W3833 3.391 5.510 6.796 1.00 0.00 WT1 H
+ATOM 6537 OH2 TIP3W3834 0.318 -8.774 10.918 1.00 0.00 WT1 O
+ATOM 6538 H1 TIP3W3834 -0.641 -8.565 10.762 1.00 0.00 WT1 H
+ATOM 6539 H2 TIP3W3834 0.713 -8.658 10.039 1.00 0.00 WT1 H
+ATOM 6540 OH2 TIP3W3835 3.609 9.811 14.752 1.00 0.00 WT1 O
+ATOM 6541 H1 TIP3W3835 3.769 8.873 14.445 1.00 0.00 WT1 H
+ATOM 6542 H2 TIP3W3835 4.540 9.936 15.173 1.00 0.00 WT1 H
+ATOM 6543 OH2 TIP3W3838 17.963 10.312 18.414 1.00 0.00 WT1 O
+ATOM 6544 H1 TIP3W3838 17.232 10.669 18.942 1.00 0.00 WT1 H
+ATOM 6545 H2 TIP3W3838 17.714 10.525 17.510 1.00 0.00 WT1 H
+ATOM 6546 OH2 TIP3W3845 -2.342 13.315 -11.243 1.00 0.00 WT1 O
+ATOM 6547 H1 TIP3W3845 -1.481 13.065 -10.893 1.00 0.00 WT1 H
+ATOM 6548 H2 TIP3W3845 -2.183 14.211 -11.484 1.00 0.00 WT1 H
+ATOM 6549 OH2 TIP3W3846 9.464 20.769 -18.339 1.00 0.00 WT1 O
+ATOM 6550 H1 TIP3W3846 9.097 20.531 -17.487 1.00 0.00 WT1 H
+ATOM 6551 H2 TIP3W3846 8.893 21.487 -18.649 1.00 0.00 WT1 H
+ATOM 6552 OH2 TIP3W3847 -0.527 15.304 -13.921 1.00 0.00 WT1 O
+ATOM 6553 H1 TIP3W3847 -0.778 14.329 -13.920 1.00 0.00 WT1 H
+ATOM 6554 H2 TIP3W3847 -1.388 15.671 -14.159 1.00 0.00 WT1 H
+ATOM 6555 OH2 TIP3W3848 -6.912 17.409 -12.530 1.00 0.00 WT1 O
+ATOM 6556 H1 TIP3W3848 -7.594 17.679 -11.961 1.00 0.00 WT1 H
+ATOM 6557 H2 TIP3W3848 -6.743 18.200 -13.117 1.00 0.00 WT1 H
+ATOM 6558 OH2 TIP3W3849 -6.453 22.192 -14.705 1.00 0.00 WT1 O
+ATOM 6559 H1 TIP3W3849 -6.031 23.030 -14.880 1.00 0.00 WT1 H
+ATOM 6560 H2 TIP3W3849 -7.356 22.279 -15.072 1.00 0.00 WT1 H
+ATOM 6561 OH2 TIP3W3850 11.866 7.459 4.496 1.00 0.00 WT1 O
+ATOM 6562 H1 TIP3W3850 12.346 7.525 3.686 1.00 0.00 WT1 H
+ATOM 6563 H2 TIP3W3850 12.196 8.239 5.011 1.00 0.00 WT1 H
+ATOM 6564 OH2 TIP3W3853 14.651 12.421 -5.246 1.00 0.00 WT1 O
+ATOM 6565 H1 TIP3W3853 14.158 12.674 -4.468 1.00 0.00 WT1 H
+ATOM 6566 H2 TIP3W3853 14.938 11.499 -4.985 1.00 0.00 WT1 H
+ATOM 6567 OH2 TIP3W3854 -7.293 13.745 8.633 1.00 0.00 WT1 O
+ATOM 6568 H1 TIP3W3854 -7.269 13.715 9.563 1.00 0.00 WT1 H
+ATOM 6569 H2 TIP3W3854 -7.538 14.689 8.410 1.00 0.00 WT1 H
+ATOM 6570 OH2 TIP3W3855 3.295 17.072 6.367 1.00 0.00 WT1 O
+ATOM 6571 H1 TIP3W3855 2.520 16.601 6.710 1.00 0.00 WT1 H
+ATOM 6572 H2 TIP3W3855 4.033 16.541 6.717 1.00 0.00 WT1 H
+ATOM 6573 OH2 TIP3W3857 -4.494 23.098 20.199 1.00 0.00 WT1 O
+ATOM 6574 H1 TIP3W3857 -5.188 23.668 20.505 1.00 0.00 WT1 H
+ATOM 6575 H2 TIP3W3857 -5.016 22.447 19.804 1.00 0.00 WT1 H
+ATOM 6576 OH2 TIP3W3859 6.596 13.707 21.195 1.00 0.00 WT1 O
+ATOM 6577 H1 TIP3W3859 5.631 13.652 21.236 1.00 0.00 WT1 H
+ATOM 6578 H2 TIP3W3859 6.803 13.812 20.243 1.00 0.00 WT1 H
+ATOM 6579 OH2 TIP3W3861 -2.123 18.996 19.076 1.00 0.00 WT1 O
+ATOM 6580 H1 TIP3W3861 -2.369 18.259 19.694 1.00 0.00 WT1 H
+ATOM 6581 H2 TIP3W3861 -1.437 19.514 19.611 1.00 0.00 WT1 H
+ATOM 6582 OH2 TIP3W3863 -1.480 21.151 -18.796 1.00 0.00 WT1 O
+ATOM 6583 H1 TIP3W3863 -0.586 20.860 -18.578 1.00 0.00 WT1 H
+ATOM 6584 H2 TIP3W3863 -1.354 22.053 -19.173 1.00 0.00 WT1 H
+ATOM 6585 OH2 TIP3W3865 15.461 22.347 -18.085 1.00 0.00 WT1 O
+ATOM 6586 H1 TIP3W3865 15.336 23.265 -18.258 1.00 0.00 WT1 H
+ATOM 6587 H2 TIP3W3865 15.755 22.442 -17.162 1.00 0.00 WT1 H
+ATOM 6588 OH2 TIP3W3867 7.775 18.558 -10.501 1.00 0.00 WT1 O
+ATOM 6589 H1 TIP3W3867 6.880 18.991 -10.520 1.00 0.00 WT1 H
+ATOM 6590 H2 TIP3W3867 7.804 18.002 -9.682 1.00 0.00 WT1 H
+ATOM 6591 OH2 TIP3W3868 -4.948 28.774 -17.746 1.00 0.00 WT1 O
+ATOM 6592 H1 TIP3W3868 -5.287 29.078 -18.601 1.00 0.00 WT1 H
+ATOM 6593 H2 TIP3W3868 -4.008 28.685 -17.974 1.00 0.00 WT1 H
+ATOM 6594 OH2 TIP3W3869 -15.120 28.395 -12.181 1.00 0.00 WT1 O
+ATOM 6595 H1 TIP3W3869 -14.679 28.645 -12.999 1.00 0.00 WT1 H
+ATOM 6596 H2 TIP3W3869 -14.515 28.888 -11.599 1.00 0.00 WT1 H
+ATOM 6597 OH2 TIP3W3870 -6.953 17.699 5.021 1.00 0.00 WT1 O
+ATOM 6598 H1 TIP3W3870 -7.237 17.047 4.348 1.00 0.00 WT1 H
+ATOM 6599 H2 TIP3W3870 -6.394 18.217 4.494 1.00 0.00 WT1 H
+ATOM 6600 OH2 TIP3W3871 -11.304 18.594 1.897 1.00 0.00 WT1 O
+ATOM 6601 H1 TIP3W3871 -12.183 18.755 2.315 1.00 0.00 WT1 H
+ATOM 6602 H2 TIP3W3871 -11.407 19.175 1.089 1.00 0.00 WT1 H
+ATOM 6603 OH2 TIP3W3872 1.832 1.531 7.467 1.00 0.00 WT1 O
+ATOM 6604 H1 TIP3W3872 1.366 2.439 7.436 1.00 0.00 WT1 H
+ATOM 6605 H2 TIP3W3872 1.130 0.920 7.833 1.00 0.00 WT1 H
+ATOM 6606 OH2 TIP3W3873 10.080 25.204 -7.552 1.00 0.00 WT1 O
+ATOM 6607 H1 TIP3W3873 9.820 26.120 -7.686 1.00 0.00 WT1 H
+ATOM 6608 H2 TIP3W3873 10.866 25.180 -8.129 1.00 0.00 WT1 H
+ATOM 6609 OH2 TIP3W3874 1.215 16.008 7.506 1.00 0.00 WT1 O
+ATOM 6610 H1 TIP3W3874 0.372 16.510 7.547 1.00 0.00 WT1 H
+ATOM 6611 H2 TIP3W3874 1.001 15.082 7.293 1.00 0.00 WT1 H
+ATOM 6612 OH2 TIP3W3875 19.124 14.288 -10.466 1.00 0.00 WT1 O
+ATOM 6613 H1 TIP3W3875 19.975 14.080 -10.897 1.00 0.00 WT1 H
+ATOM 6614 H2 TIP3W3875 18.880 15.127 -10.885 1.00 0.00 WT1 H
+ATOM 6615 OH2 TIP3W3876 5.044 18.253 11.565 1.00 0.00 WT1 O
+ATOM 6616 H1 TIP3W3876 5.242 18.145 10.627 1.00 0.00 WT1 H
+ATOM 6617 H2 TIP3W3876 4.778 17.384 11.857 1.00 0.00 WT1 H
+ATOM 6618 OH2 TIP3W3878 5.753 14.657 18.022 1.00 0.00 WT1 O
+ATOM 6619 H1 TIP3W3878 5.572 15.605 18.007 1.00 0.00 WT1 H
+ATOM 6620 H2 TIP3W3878 6.582 14.568 17.569 1.00 0.00 WT1 H
+ATOM 6621 OH2 TIP3W3879 -2.679 26.334 20.974 1.00 0.00 WT1 O
+ATOM 6622 H1 TIP3W3879 -2.124 26.725 21.697 1.00 0.00 WT1 H
+ATOM 6623 H2 TIP3W3879 -3.284 25.851 21.509 1.00 0.00 WT1 H
+ATOM 6624 OH2 TIP3W3880 2.820 15.592 23.089 1.00 0.00 WT1 O
+ATOM 6625 H1 TIP3W3880 2.356 16.442 23.059 1.00 0.00 WT1 H
+ATOM 6626 H2 TIP3W3880 2.419 15.053 22.357 1.00 0.00 WT1 H
+ATOM 6627 OH2 TIP3W3882 -7.896 16.508 -21.956 1.00 0.00 WT1 O
+ATOM 6628 H1 TIP3W3882 -8.434 17.249 -21.527 1.00 0.00 WT1 H
+ATOM 6629 H2 TIP3W3882 -7.017 16.890 -22.029 1.00 0.00 WT1 H
+ATOM 6630 OH2 TIP3W3886 20.758 14.314 -19.132 1.00 0.00 WT1 O
+ATOM 6631 H1 TIP3W3886 21.325 14.815 -18.568 1.00 0.00 WT1 H
+ATOM 6632 H2 TIP3W3886 21.133 13.419 -19.185 1.00 0.00 WT1 H
+ATOM 6633 OH2 TIP3W3888 6.709 13.663 -15.662 1.00 0.00 WT1 O
+ATOM 6634 H1 TIP3W3888 7.470 14.207 -15.758 1.00 0.00 WT1 H
+ATOM 6635 H2 TIP3W3888 6.877 13.016 -16.350 1.00 0.00 WT1 H
+ATOM 6636 OH2 TIP3W3889 12.291 19.961 -18.452 1.00 0.00 WT1 O
+ATOM 6637 H1 TIP3W3889 11.647 19.547 -17.825 1.00 0.00 WT1 H
+ATOM 6638 H2 TIP3W3889 11.730 20.480 -18.974 1.00 0.00 WT1 H
+ATOM 6639 OH2 TIP3W3890 3.614 26.340 -0.223 1.00 0.00 WT1 O
+ATOM 6640 H1 TIP3W3890 3.348 27.283 -0.127 1.00 0.00 WT1 H
+ATOM 6641 H2 TIP3W3890 3.138 26.031 -0.992 1.00 0.00 WT1 H
+ATOM 6642 OH2 TIP3W3891 15.043 15.678 -1.787 1.00 0.00 WT1 O
+ATOM 6643 H1 TIP3W3891 15.783 15.472 -2.384 1.00 0.00 WT1 H
+ATOM 6644 H2 TIP3W3891 14.449 14.869 -1.697 1.00 0.00 WT1 H
+ATOM 6645 OH2 TIP3W3892 8.660 1.120 -5.673 1.00 0.00 WT1 O
+ATOM 6646 H1 TIP3W3892 9.312 0.494 -5.315 1.00 0.00 WT1 H
+ATOM 6647 H2 TIP3W3892 7.806 0.596 -5.653 1.00 0.00 WT1 H
+ATOM 6648 OH2 TIP3W3893 -1.485 23.283 14.450 1.00 0.00 WT1 O
+ATOM 6649 H1 TIP3W3893 -1.857 24.027 14.015 1.00 0.00 WT1 H
+ATOM 6650 H2 TIP3W3893 -2.306 22.768 14.701 1.00 0.00 WT1 H
+ATOM 6651 OH2 TIP3W3894 18.607 19.593 6.579 1.00 0.00 WT1 O
+ATOM 6652 H1 TIP3W3894 18.298 19.606 5.730 1.00 0.00 WT1 H
+ATOM 6653 H2 TIP3W3894 17.817 19.499 7.110 1.00 0.00 WT1 H
+ATOM 6654 OH2 TIP3W3895 -4.987 31.359 -0.121 1.00 0.00 WT1 O
+ATOM 6655 H1 TIP3W3895 -4.412 30.608 -0.298 1.00 0.00 WT1 H
+ATOM 6656 H2 TIP3W3895 -4.510 31.965 0.465 1.00 0.00 WT1 H
+ATOM 6657 OH2 TIP3W3898 -12.754 18.639 17.440 1.00 0.00 WT1 O
+ATOM 6658 H1 TIP3W3898 -13.451 18.056 17.920 1.00 0.00 WT1 H
+ATOM 6659 H2 TIP3W3898 -12.024 18.058 17.269 1.00 0.00 WT1 H
+ATOM 6660 OH2 TIP3W3899 4.623 16.311 3.934 1.00 0.00 WT1 O
+ATOM 6661 H1 TIP3W3899 4.438 16.021 4.853 1.00 0.00 WT1 H
+ATOM 6662 H2 TIP3W3899 4.455 15.546 3.310 1.00 0.00 WT1 H
+ATOM 6663 OH2 TIP3W3901 10.185 28.879 20.068 1.00 0.00 WT1 O
+ATOM 6664 H1 TIP3W3901 10.121 27.920 20.101 1.00 0.00 WT1 H
+ATOM 6665 H2 TIP3W3901 10.932 28.963 19.455 1.00 0.00 WT1 H
+ATOM 6666 OH2 TIP3W3903 -12.207 16.974 12.297 1.00 0.00 WT1 O
+ATOM 6667 H1 TIP3W3903 -12.824 17.662 12.571 1.00 0.00 WT1 H
+ATOM 6668 H2 TIP3W3903 -12.002 16.537 13.074 1.00 0.00 WT1 H
+ATOM 6669 OH2 TIP3W3907 -0.218 30.850 -16.057 1.00 0.00 WT1 O
+ATOM 6670 H1 TIP3W3907 -0.015 30.200 -15.351 1.00 0.00 WT1 H
+ATOM 6671 H2 TIP3W3907 -1.126 30.584 -16.218 1.00 0.00 WT1 H
+ATOM 6672 OH2 TIP3W3911 8.910 28.907 -2.124 1.00 0.00 WT1 O
+ATOM 6673 H1 TIP3W3911 9.478 28.703 -2.975 1.00 0.00 WT1 H
+ATOM 6674 H2 TIP3W3911 9.535 29.469 -1.616 1.00 0.00 WT1 H
+ATOM 6675 OH2 TIP3W3912 7.963 25.560 -13.179 1.00 0.00 WT1 O
+ATOM 6676 H1 TIP3W3912 7.476 24.982 -13.764 1.00 0.00 WT1 H
+ATOM 6677 H2 TIP3W3912 8.327 26.212 -13.813 1.00 0.00 WT1 H
+ATOM 6678 OH2 TIP3W3913 0.755 24.053 0.207 1.00 0.00 WT1 O
+ATOM 6679 H1 TIP3W3913 -0.128 23.767 -0.063 1.00 0.00 WT1 H
+ATOM 6680 H2 TIP3W3913 1.317 23.520 -0.356 1.00 0.00 WT1 H
+ATOM 6681 OH2 TIP3W3915 11.120 21.190 7.776 1.00 0.00 WT1 O
+ATOM 6682 H1 TIP3W3915 10.208 21.530 7.592 1.00 0.00 WT1 H
+ATOM 6683 H2 TIP3W3915 11.025 20.673 8.628 1.00 0.00 WT1 H
+ATOM 6684 OH2 TIP3W3916 -4.885 31.165 8.343 1.00 0.00 WT1 O
+ATOM 6685 H1 TIP3W3916 -5.306 30.436 7.889 1.00 0.00 WT1 H
+ATOM 6686 H2 TIP3W3916 -5.437 31.935 8.149 1.00 0.00 WT1 H
+ATOM 6687 OH2 TIP3W3917 2.836 17.882 15.441 1.00 0.00 WT1 O
+ATOM 6688 H1 TIP3W3917 2.257 18.635 15.183 1.00 0.00 WT1 H
+ATOM 6689 H2 TIP3W3917 2.119 17.411 15.855 1.00 0.00 WT1 H
+ATOM 6690 OH2 TIP3W3919 0.417 -30.595 17.797 1.00 0.00 WT1 O
+ATOM 6691 H1 TIP3W3919 0.462 -31.161 16.973 1.00 0.00 WT1 H
+ATOM 6692 H2 TIP3W3919 0.842 -29.831 17.482 1.00 0.00 WT1 H
+ATOM 6693 OH2 TIP3W3920 8.347 24.152 15.911 1.00 0.00 WT1 O
+ATOM 6694 H1 TIP3W3920 9.319 23.921 15.956 1.00 0.00 WT1 H
+ATOM 6695 H2 TIP3W3920 8.376 24.867 15.249 1.00 0.00 WT1 H
+ATOM 6696 OH2 TIP3W3922 -2.255 27.468 18.384 1.00 0.00 WT1 O
+ATOM 6697 H1 TIP3W3922 -1.787 28.163 18.809 1.00 0.00 WT1 H
+ATOM 6698 H2 TIP3W3922 -2.364 26.741 19.014 1.00 0.00 WT1 H
+ATOM 6699 OH2 TIP3W3924 -0.150 -19.244 10.513 1.00 0.00 WT1 O
+ATOM 6700 H1 TIP3W3924 0.068 -19.561 9.593 1.00 0.00 WT1 H
+ATOM 6701 H2 TIP3W3924 -1.149 -19.035 10.404 1.00 0.00 WT1 H
+ATOM 6702 OH2 TIP3W3925 -0.019 -31.647 -8.105 1.00 0.00 WT1 O
+ATOM 6703 H1 TIP3W3925 0.737 -31.512 -7.526 1.00 0.00 WT1 H
+ATOM 6704 H2 TIP3W3925 -0.411 -30.705 -8.109 1.00 0.00 WT1 H
+ATOM 6705 OH2 TIP3W3928 -2.911 21.434 -14.603 1.00 0.00 WT1 O
+ATOM 6706 H1 TIP3W3928 -3.415 22.268 -14.591 1.00 0.00 WT1 H
+ATOM 6707 H2 TIP3W3928 -3.132 21.021 -15.469 1.00 0.00 WT1 H
+ATOM 6708 OH2 TIP3W3929 10.865 23.966 -15.033 1.00 0.00 WT1 O
+ATOM 6709 H1 TIP3W3929 11.048 23.844 -14.133 1.00 0.00 WT1 H
+ATOM 6710 H2 TIP3W3929 11.738 23.771 -15.393 1.00 0.00 WT1 H
+ATOM 6711 OH2 TIP3W3930 -2.704 26.261 -14.158 1.00 0.00 WT1 O
+ATOM 6712 H1 TIP3W3930 -3.436 26.844 -14.401 1.00 0.00 WT1 H
+ATOM 6713 H2 TIP3W3930 -2.043 26.860 -13.794 1.00 0.00 WT1 H
+ATOM 6714 OH2 TIP3W3931 8.261 -23.313 -16.245 1.00 0.00 WT1 O
+ATOM 6715 H1 TIP3W3931 7.950 -22.908 -15.409 1.00 0.00 WT1 H
+ATOM 6716 H2 TIP3W3931 9.174 -23.495 -15.925 1.00 0.00 WT1 H
+ATOM 6717 OH2 TIP3W3932 8.249 16.383 -16.104 1.00 0.00 WT1 O
+ATOM 6718 H1 TIP3W3932 9.050 16.002 -15.712 1.00 0.00 WT1 H
+ATOM 6719 H2 TIP3W3932 8.314 17.321 -15.922 1.00 0.00 WT1 H
+ATOM 6720 OH2 TIP3W3933 -2.066 -26.704 -11.769 1.00 0.00 WT1 O
+ATOM 6721 H1 TIP3W3933 -2.836 -27.248 -11.474 1.00 0.00 WT1 H
+ATOM 6722 H2 TIP3W3933 -2.408 -26.198 -12.596 1.00 0.00 WT1 H
+ATOM 6723 OH2 TIP3W3934 -4.736 27.716 -8.920 1.00 0.00 WT1 O
+ATOM 6724 H1 TIP3W3934 -4.861 28.569 -8.633 1.00 0.00 WT1 H
+ATOM 6725 H2 TIP3W3934 -5.070 27.173 -8.151 1.00 0.00 WT1 H
+ATOM 6726 OH2 TIP3W3935 -4.740 -23.367 2.712 1.00 0.00 WT1 O
+ATOM 6727 H1 TIP3W3935 -4.831 -24.162 2.176 1.00 0.00 WT1 H
+ATOM 6728 H2 TIP3W3935 -3.882 -23.047 2.530 1.00 0.00 WT1 H
+ATOM 6729 OH2 TIP3W3936 -0.976 21.137 20.453 1.00 0.00 WT1 O
+ATOM 6730 H1 TIP3W3936 -1.703 21.842 20.350 1.00 0.00 WT1 H
+ATOM 6731 H2 TIP3W3936 -0.386 21.250 19.657 1.00 0.00 WT1 H
+ATOM 6732 OH2 TIP3W3937 10.193 28.513 3.948 1.00 0.00 WT1 O
+ATOM 6733 H1 TIP3W3937 10.648 28.076 3.130 1.00 0.00 WT1 H
+ATOM 6734 H2 TIP3W3937 10.571 28.082 4.757 1.00 0.00 WT1 H
+ATOM 6735 OH2 TIP3W3938 5.493 -22.718 16.035 1.00 0.00 WT1 O
+ATOM 6736 H1 TIP3W3938 4.756 -22.184 15.732 1.00 0.00 WT1 H
+ATOM 6737 H2 TIP3W3938 5.989 -22.805 15.192 1.00 0.00 WT1 H
+ATOM 6738 OH2 TIP3W3939 0.265 22.648 10.533 1.00 0.00 WT1 O
+ATOM 6739 H1 TIP3W3939 -0.038 22.114 11.267 1.00 0.00 WT1 H
+ATOM 6740 H2 TIP3W3939 1.174 22.289 10.466 1.00 0.00 WT1 H
+ATOM 6741 OH2 TIP3W3946 -0.668 29.413 19.327 1.00 0.00 WT1 O
+ATOM 6742 H1 TIP3W3946 0.277 29.307 19.013 1.00 0.00 WT1 H
+ATOM 6743 H2 TIP3W3946 -0.680 28.938 20.180 1.00 0.00 WT1 H
+ATOM 6744 OH2 TIP3W3949 2.386 26.784 -22.249 1.00 0.00 WT1 O
+ATOM 6745 H1 TIP3W3949 2.509 25.998 -21.715 1.00 0.00 WT1 H
+ATOM 6746 H2 TIP3W3949 1.722 26.523 -22.956 1.00 0.00 WT1 H
+ATOM 6747 OH2 TIP3W3951 -1.617 -31.282 -13.369 1.00 0.00 WT1 O
+ATOM 6748 H1 TIP3W3951 -1.072 -30.567 -12.952 1.00 0.00 WT1 H
+ATOM 6749 H2 TIP3W3951 -2.138 -30.774 -14.016 1.00 0.00 WT1 H
+ATOM 6750 OH2 TIP3W3954 1.897 21.786 6.725 1.00 0.00 WT1 O
+ATOM 6751 H1 TIP3W3954 2.210 22.370 5.966 1.00 0.00 WT1 H
+ATOM 6752 H2 TIP3W3954 1.735 20.915 6.296 1.00 0.00 WT1 H
+ATOM 6753 OH2 TIP3W3955 -5.236 17.815 -15.647 1.00 0.00 WT1 O
+ATOM 6754 H1 TIP3W3955 -4.737 17.632 -14.873 1.00 0.00 WT1 H
+ATOM 6755 H2 TIP3W3955 -4.754 18.609 -16.042 1.00 0.00 WT1 H
+ATOM 6756 OH2 TIP3W3957 14.666 -16.642 8.867 1.00 0.00 WT1 O
+ATOM 6757 H1 TIP3W3957 15.200 -17.411 8.589 1.00 0.00 WT1 H
+ATOM 6758 H2 TIP3W3957 15.192 -16.343 9.636 1.00 0.00 WT1 H
+ATOM 6759 OH2 TIP3W3958 0.752 31.238 11.305 1.00 0.00 WT1 O
+ATOM 6760 H1 TIP3W3958 1.420 30.569 11.090 1.00 0.00 WT1 H
+ATOM 6761 H2 TIP3W3958 -0.102 30.734 11.238 1.00 0.00 WT1 H
+ATOM 6762 OH2 TIP3W3959 8.095 28.832 12.721 1.00 0.00 WT1 O
+ATOM 6763 H1 TIP3W3959 7.744 28.704 11.771 1.00 0.00 WT1 H
+ATOM 6764 H2 TIP3W3959 8.860 28.228 12.661 1.00 0.00 WT1 H
+ATOM 6765 OH2 TIP3W3960 -3.166 30.256 19.933 1.00 0.00 WT1 O
+ATOM 6766 H1 TIP3W3960 -2.213 30.286 19.913 1.00 0.00 WT1 H
+ATOM 6767 H2 TIP3W3960 -3.371 29.726 20.674 1.00 0.00 WT1 H
+ATOM 6768 OH2 TIP3W3961 4.163 27.021 16.307 1.00 0.00 WT1 O
+ATOM 6769 H1 TIP3W3961 3.407 27.624 16.058 1.00 0.00 WT1 H
+ATOM 6770 H2 TIP3W3961 3.782 26.232 16.663 1.00 0.00 WT1 H
+ATOM 6771 OH2 TIP3W3971 8.198 23.087 -15.557 1.00 0.00 WT1 O
+ATOM 6772 H1 TIP3W3971 8.037 22.471 -14.766 1.00 0.00 WT1 H
+ATOM 6773 H2 TIP3W3971 9.144 23.257 -15.382 1.00 0.00 WT1 H
+ATOM 6774 OH2 TIP3W3972 -10.488 14.673 -3.912 1.00 0.00 WT1 O
+ATOM 6775 H1 TIP3W3972 -10.913 14.778 -3.039 1.00 0.00 WT1 H
+ATOM 6776 H2 TIP3W3972 -10.163 13.731 -3.998 1.00 0.00 WT1 H
+ATOM 6777 OH2 TIP3W3974 6.052 -27.309 -4.062 1.00 0.00 WT1 O
+ATOM 6778 H1 TIP3W3974 6.017 -27.569 -4.983 1.00 0.00 WT1 H
+ATOM 6779 H2 TIP3W3974 5.268 -26.759 -3.977 1.00 0.00 WT1 H
+ATOM 6780 OH2 TIP3W3975 9.071 -24.994 -13.525 1.00 0.00 WT1 O
+ATOM 6781 H1 TIP3W3975 8.516 -25.508 -14.149 1.00 0.00 WT1 H
+ATOM 6782 H2 TIP3W3975 8.690 -24.097 -13.412 1.00 0.00 WT1 H
+ATOM 6783 OH2 TIP3W3976 -5.069 -20.549 -10.184 1.00 0.00 WT1 O
+ATOM 6784 H1 TIP3W3976 -4.946 -20.634 -11.155 1.00 0.00 WT1 H
+ATOM 6785 H2 TIP3W3976 -5.297 -19.626 -10.064 1.00 0.00 WT1 H
+ATOM 6786 OH2 TIP3W3977 -13.686 -25.097 -11.904 1.00 0.00 WT1 O
+ATOM 6787 H1 TIP3W3977 -13.847 -25.701 -11.116 1.00 0.00 WT1 H
+ATOM 6788 H2 TIP3W3977 -13.031 -24.404 -11.663 1.00 0.00 WT1 H
+ATOM 6789 OH2 TIP3W3978 3.815 31.733 -7.679 1.00 0.00 WT1 O
+ATOM 6790 H1 TIP3W3978 3.214 32.114 -7.071 1.00 0.00 WT1 H
+ATOM 6791 H2 TIP3W3978 4.185 30.913 -7.239 1.00 0.00 WT1 H
+ATOM 6792 OH2 TIP3W3979 8.076 22.552 12.792 1.00 0.00 WT1 O
+ATOM 6793 H1 TIP3W3979 7.599 22.475 13.608 1.00 0.00 WT1 H
+ATOM 6794 H2 TIP3W3979 8.499 21.669 12.757 1.00 0.00 WT1 H
+ATOM 6795 OH2 TIP3W3980 10.962 23.755 16.282 1.00 0.00 WT1 O
+ATOM 6796 H1 TIP3W3980 11.772 24.301 15.912 1.00 0.00 WT1 H
+ATOM 6797 H2 TIP3W3980 11.314 23.296 17.049 1.00 0.00 WT1 H
+ATOM 6798 OH2 TIP3W3981 15.462 22.771 5.243 1.00 0.00 WT1 O
+ATOM 6799 H1 TIP3W3981 15.194 21.940 4.866 1.00 0.00 WT1 H
+ATOM 6800 H2 TIP3W3981 14.625 23.343 5.206 1.00 0.00 WT1 H
+ATOM 6801 OH2 TIP3W3982 3.499 -30.170 13.728 1.00 0.00 WT1 O
+ATOM 6802 H1 TIP3W3982 4.326 -30.112 13.222 1.00 0.00 WT1 H
+ATOM 6803 H2 TIP3W3982 3.222 -31.063 13.453 1.00 0.00 WT1 H
+ATOM 6804 OH2 TIP3W3983 8.316 -29.133 18.207 1.00 0.00 WT1 O
+ATOM 6805 H1 TIP3W3983 8.110 -29.192 19.124 1.00 0.00 WT1 H
+ATOM 6806 H2 TIP3W3983 7.752 -28.379 17.828 1.00 0.00 WT1 H
+ATOM 6807 OH2 TIP3W3986 5.234 -29.934 -22.260 1.00 0.00 WT1 O
+ATOM 6808 H1 TIP3W3986 5.939 -29.238 -22.307 1.00 0.00 WT1 H
+ATOM 6809 H2 TIP3W3986 4.607 -29.408 -21.695 1.00 0.00 WT1 H
+ATOM 6810 OH2 TIP3W3991 -5.376 -29.361 -6.422 1.00 0.00 WT1 O
+ATOM 6811 H1 TIP3W3991 -5.811 -28.784 -7.102 1.00 0.00 WT1 H
+ATOM 6812 H2 TIP3W3991 -4.905 -28.678 -5.939 1.00 0.00 WT1 H
+ATOM 6813 OH2 TIP3W3992 6.228 -25.501 -15.820 1.00 0.00 WT1 O
+ATOM 6814 H1 TIP3W3992 5.999 -24.570 -15.635 1.00 0.00 WT1 H
+ATOM 6815 H2 TIP3W3992 5.342 -25.832 -16.007 1.00 0.00 WT1 H
+ATOM 6816 OH2 TIP3W3993 17.267 -21.045 -12.698 1.00 0.00 WT1 O
+ATOM 6817 H1 TIP3W3993 17.743 -21.169 -11.858 1.00 0.00 WT1 H
+ATOM 6818 H2 TIP3W3993 17.222 -20.056 -12.843 1.00 0.00 WT1 H
+ATOM 6819 OH2 TIP3W3995 -1.850 -15.988 -4.641 1.00 0.00 WT1 O
+ATOM 6820 H1 TIP3W3995 -1.822 -16.078 -5.637 1.00 0.00 WT1 H
+ATOM 6821 H2 TIP3W3995 -0.890 -15.924 -4.407 1.00 0.00 WT1 H
+ATOM 6822 OH2 TIP3W3996 -2.635 -25.974 -18.888 1.00 0.00 WT1 O
+ATOM 6823 H1 TIP3W3996 -2.990 -25.005 -18.735 1.00 0.00 WT1 H
+ATOM 6824 H2 TIP3W3996 -3.032 -26.476 -18.166 1.00 0.00 WT1 H
+ATOM 6825 OH2 TIP3W3997 10.132 -27.059 3.859 1.00 0.00 WT1 O
+ATOM 6826 H1 TIP3W3997 11.017 -27.388 3.727 1.00 0.00 WT1 H
+ATOM 6827 H2 TIP3W3997 10.336 -26.045 3.777 1.00 0.00 WT1 H
+ATOM 6828 OH2 TIP3W3998 12.854 -19.488 5.906 1.00 0.00 WT1 O
+ATOM 6829 H1 TIP3W3998 12.252 -20.150 5.687 1.00 0.00 WT1 H
+ATOM 6830 H2 TIP3W3998 12.406 -19.001 6.691 1.00 0.00 WT1 H
+ATOM 6831 OH2 TIP3W3999 7.275 -29.271 15.205 1.00 0.00 WT1 O
+ATOM 6832 H1 TIP3W3999 7.247 -30.239 15.201 1.00 0.00 WT1 H
+ATOM 6833 H2 TIP3W3999 8.002 -29.093 14.607 1.00 0.00 WT1 H
+ATOM 6834 OH2 TIP3W4000 10.549 -15.969 5.947 1.00 0.00 WT1 O
+ATOM 6835 H1 TIP3W4000 11.033 -16.487 6.557 1.00 0.00 WT1 H
+ATOM 6836 H2 TIP3W4000 9.661 -15.996 6.297 1.00 0.00 WT1 H
+ATOM 6837 OH2 TIP3W4001 12.714 -28.876 22.096 1.00 0.00 WT1 O
+ATOM 6838 H1 TIP3W4001 12.707 -29.141 23.034 1.00 0.00 WT1 H
+ATOM 6839 H2 TIP3W4001 13.518 -29.224 21.839 1.00 0.00 WT1 H
+ATOM 6840 OH2 TIP3W4002 13.942 -26.008 15.596 1.00 0.00 WT1 O
+ATOM 6841 H1 TIP3W4002 13.948 -26.444 14.742 1.00 0.00 WT1 H
+ATOM 6842 H2 TIP3W4002 14.594 -25.275 15.405 1.00 0.00 WT1 H
+ATOM 6843 OH2 TIP3W4004 4.851 -27.934 21.739 1.00 0.00 WT1 O
+ATOM 6844 H1 TIP3W4004 5.715 -27.532 21.913 1.00 0.00 WT1 H
+ATOM 6845 H2 TIP3W4004 4.845 -28.068 20.782 1.00 0.00 WT1 H
+ATOM 6846 OH2 TIP3W4005 14.980 -28.349 16.847 1.00 0.00 WT1 O
+ATOM 6847 H1 TIP3W4005 14.229 -28.868 17.187 1.00 0.00 WT1 H
+ATOM 6848 H2 TIP3W4005 14.672 -27.412 16.754 1.00 0.00 WT1 H
+ATOM 6849 OH2 TIP3W4006 2.302 -27.770 22.769 1.00 0.00 WT1 O
+ATOM 6850 H1 TIP3W4006 3.237 -27.844 22.372 1.00 0.00 WT1 H
+ATOM 6851 H2 TIP3W4006 1.809 -28.472 22.326 1.00 0.00 WT1 H
+ATOM 6852 OH2 TIP3W4008 9.836 -19.302 12.594 1.00 0.00 WT1 O
+ATOM 6853 H1 TIP3W4008 9.402 -20.095 12.985 1.00 0.00 WT1 H
+ATOM 6854 H2 TIP3W4008 10.830 -19.447 12.701 1.00 0.00 WT1 H
+ATOM 6855 OH2 TIP3W4009 -1.252 -25.185 -6.324 1.00 0.00 WT1 O
+ATOM 6856 H1 TIP3W4009 -1.553 -25.964 -5.755 1.00 0.00 WT1 H
+ATOM 6857 H2 TIP3W4009 -0.449 -24.924 -5.950 1.00 0.00 WT1 H
+ATOM 6858 OH2 TIP3W4010 11.004 -8.350 -12.850 1.00 0.00 WT1 O
+ATOM 6859 H1 TIP3W4010 11.516 -9.053 -13.266 1.00 0.00 WT1 H
+ATOM 6860 H2 TIP3W4010 10.135 -8.542 -13.271 1.00 0.00 WT1 H
+ATOM 6861 OH2 TIP3W4011 -3.888 19.814 -17.099 1.00 0.00 WT1 O
+ATOM 6862 H1 TIP3W4011 -3.120 19.953 -17.633 1.00 0.00 WT1 H
+ATOM 6863 H2 TIP3W4011 -4.511 20.527 -17.431 1.00 0.00 WT1 H
+ATOM 6864 OH2 TIP3W4012 -13.091 -17.991 -21.215 1.00 0.00 WT1 O
+ATOM 6865 H1 TIP3W4012 -12.232 -18.204 -21.646 1.00 0.00 WT1 H
+ATOM 6866 H2 TIP3W4012 -13.421 -18.841 -21.095 1.00 0.00 WT1 H
+ATOM 6867 OH2 TIP3W4014 8.288 -31.341 -12.289 1.00 0.00 WT1 O
+ATOM 6868 H1 TIP3W4014 7.809 -32.190 -12.148 1.00 0.00 WT1 H
+ATOM 6869 H2 TIP3W4014 7.704 -30.862 -12.858 1.00 0.00 WT1 H
+ATOM 6870 OH2 TIP3W4015 2.778 -31.142 -16.060 1.00 0.00 WT1 O
+ATOM 6871 H1 TIP3W4015 2.079 -31.443 -15.404 1.00 0.00 WT1 H
+ATOM 6872 H2 TIP3W4015 3.240 -31.929 -16.149 1.00 0.00 WT1 H
+ATOM 6873 OH2 TIP3W4016 5.478 -15.459 -14.435 1.00 0.00 WT1 O
+ATOM 6874 H1 TIP3W4016 6.101 -15.725 -13.767 1.00 0.00 WT1 H
+ATOM 6875 H2 TIP3W4016 5.540 -16.150 -15.105 1.00 0.00 WT1 H
+ATOM 6876 OH2 TIP3W4017 0.479 -28.104 -9.568 1.00 0.00 WT1 O
+ATOM 6877 H1 TIP3W4017 1.108 -27.319 -9.631 1.00 0.00 WT1 H
+ATOM 6878 H2 TIP3W4017 0.688 -28.526 -10.409 1.00 0.00 WT1 H
+ATOM 6879 OH2 TIP3W4018 8.409 -20.907 0.509 1.00 0.00 WT1 O
+ATOM 6880 H1 TIP3W4018 8.067 -21.728 0.828 1.00 0.00 WT1 H
+ATOM 6881 H2 TIP3W4018 9.356 -21.151 0.297 1.00 0.00 WT1 H
+ATOM 6882 OH2 TIP3W4019 -1.010 -21.339 12.055 1.00 0.00 WT1 O
+ATOM 6883 H1 TIP3W4019 -0.730 -20.532 11.617 1.00 0.00 WT1 H
+ATOM 6884 H2 TIP3W4019 -1.729 -21.070 12.622 1.00 0.00 WT1 H
+ATOM 6885 OH2 TIP3W4020 -4.192 -10.310 12.727 1.00 0.00 WT1 O
+ATOM 6886 H1 TIP3W4020 -4.458 -10.678 13.532 1.00 0.00 WT1 H
+ATOM 6887 H2 TIP3W4020 -3.339 -9.777 12.933 1.00 0.00 WT1 H
+ATOM 6888 OH2 TIP3W4021 8.036 -26.341 -2.559 1.00 0.00 WT1 O
+ATOM 6889 H1 TIP3W4021 7.695 -26.160 -1.698 1.00 0.00 WT1 H
+ATOM 6890 H2 TIP3W4021 7.275 -26.554 -3.140 1.00 0.00 WT1 H
+ATOM 6891 OH2 TIP3W4022 12.116 -24.222 -4.112 1.00 0.00 WT1 O
+ATOM 6892 H1 TIP3W4022 11.800 -24.927 -3.599 1.00 0.00 WT1 H
+ATOM 6893 H2 TIP3W4022 11.442 -24.189 -4.883 1.00 0.00 WT1 H
+ATOM 6894 OH2 TIP3W4029 13.623 28.940 -21.482 1.00 0.00 WT1 O
+ATOM 6895 H1 TIP3W4029 13.931 29.671 -22.006 1.00 0.00 WT1 H
+ATOM 6896 H2 TIP3W4029 13.850 28.210 -22.040 1.00 0.00 WT1 H
+ATOM 6897 OH2 TIP3W4030 20.571 -23.792 -15.705 1.00 0.00 WT1 O
+ATOM 6898 H1 TIP3W4030 20.099 -24.023 -16.539 1.00 0.00 WT1 H
+ATOM 6899 H2 TIP3W4030 20.213 -22.915 -15.484 1.00 0.00 WT1 H
+ATOM 6900 OH2 TIP3W4033 -7.217 3.857 -17.583 1.00 0.00 WT1 O
+ATOM 6901 H1 TIP3W4033 -7.000 4.549 -16.977 1.00 0.00 WT1 H
+ATOM 6902 H2 TIP3W4033 -7.216 3.098 -17.028 1.00 0.00 WT1 H
+ATOM 6903 OH2 TIP3W4035 3.732 -26.382 -15.846 1.00 0.00 WT1 O
+ATOM 6904 H1 TIP3W4035 3.505 -27.045 -15.256 1.00 0.00 WT1 H
+ATOM 6905 H2 TIP3W4035 2.952 -26.241 -16.421 1.00 0.00 WT1 H
+ATOM 6906 OH2 TIP3W4036 -8.981 -27.054 -3.914 1.00 0.00 WT1 O
+ATOM 6907 H1 TIP3W4036 -8.928 -27.880 -4.382 1.00 0.00 WT1 H
+ATOM 6908 H2 TIP3W4036 -9.898 -27.040 -3.678 1.00 0.00 WT1 H
+ATOM 6909 OH2 TIP3W4037 -2.643 -23.866 -22.103 1.00 0.00 WT1 O
+ATOM 6910 H1 TIP3W4037 -2.878 -24.816 -21.925 1.00 0.00 WT1 H
+ATOM 6911 H2 TIP3W4037 -3.449 -23.374 -21.989 1.00 0.00 WT1 H
+ATOM 6912 OH2 TIP3W4038 0.935 -0.642 5.366 1.00 0.00 WT1 O
+ATOM 6913 H1 TIP3W4038 0.891 -0.555 6.361 1.00 0.00 WT1 H
+ATOM 6914 H2 TIP3W4038 0.081 -0.254 5.088 1.00 0.00 WT1 H
+ATOM 6915 OH2 TIP3W4039 -3.102 -26.588 -1.203 1.00 0.00 WT1 O
+ATOM 6916 H1 TIP3W4039 -3.400 -26.233 -0.366 1.00 0.00 WT1 H
+ATOM 6917 H2 TIP3W4039 -2.852 -25.775 -1.749 1.00 0.00 WT1 H
+ATOM 6918 OH2 TIP3W4041 3.310 -27.043 5.548 1.00 0.00 WT1 O
+ATOM 6919 H1 TIP3W4041 4.279 -26.998 5.445 1.00 0.00 WT1 H
+ATOM 6920 H2 TIP3W4041 3.076 -26.189 6.001 1.00 0.00 WT1 H
+ATOM 6921 OH2 TIP3W4042 21.201 -28.589 5.813 1.00 0.00 WT1 O
+ATOM 6922 H1 TIP3W4042 22.116 -28.549 6.082 1.00 0.00 WT1 H
+ATOM 6923 H2 TIP3W4042 20.959 -29.451 6.125 1.00 0.00 WT1 H
+ATOM 6924 OH2 TIP3W4044 0.614 -21.648 22.768 1.00 0.00 WT1 O
+ATOM 6925 H1 TIP3W4044 1.481 -22.143 22.631 1.00 0.00 WT1 H
+ATOM 6926 H2 TIP3W4044 0.004 -22.400 22.817 1.00 0.00 WT1 H
+ATOM 6927 OH2 TIP3W4046 2.882 -21.448 15.196 1.00 0.00 WT1 O
+ATOM 6928 H1 TIP3W4046 2.706 -20.553 14.943 1.00 0.00 WT1 H
+ATOM 6929 H2 TIP3W4046 2.161 -22.002 14.835 1.00 0.00 WT1 H
+ATOM 6930 OH2 TIP3W4047 1.908 -17.611 11.759 1.00 0.00 WT1 O
+ATOM 6931 H1 TIP3W4047 2.711 -18.003 11.327 1.00 0.00 WT1 H
+ATOM 6932 H2 TIP3W4047 1.178 -17.995 11.247 1.00 0.00 WT1 H
+ATOM 6933 OH2 TIP3W4053 14.639 -22.934 -16.339 1.00 0.00 WT1 O
+ATOM 6934 H1 TIP3W4053 14.381 -23.636 -16.955 1.00 0.00 WT1 H
+ATOM 6935 H2 TIP3W4053 13.813 -22.584 -15.980 1.00 0.00 WT1 H
+ATOM 6936 OH2 TIP3W4054 10.288 -7.374 -6.253 1.00 0.00 WT1 O
+ATOM 6937 H1 TIP3W4054 11.197 -7.711 -6.334 1.00 0.00 WT1 H
+ATOM 6938 H2 TIP3W4054 10.282 -7.260 -5.276 1.00 0.00 WT1 H
+ATOM 6939 OH2 TIP3W4055 5.179 -11.426 -22.340 1.00 0.00 WT1 O
+ATOM 6940 H1 TIP3W4055 4.605 -11.448 -23.155 1.00 0.00 WT1 H
+ATOM 6941 H2 TIP3W4055 4.846 -10.575 -21.946 1.00 0.00 WT1 H
+ATOM 6942 OH2 TIP3W4056 8.136 -13.087 -7.670 1.00 0.00 WT1 O
+ATOM 6943 H1 TIP3W4056 8.729 -12.426 -7.288 1.00 0.00 WT1 H
+ATOM 6944 H2 TIP3W4056 8.509 -13.145 -8.570 1.00 0.00 WT1 H
+ATOM 6945 OH2 TIP3W4057 12.026 -10.107 -16.179 1.00 0.00 WT1 O
+ATOM 6946 H1 TIP3W4057 11.908 -10.590 -17.025 1.00 0.00 WT1 H
+ATOM 6947 H2 TIP3W4057 11.914 -9.172 -16.430 1.00 0.00 WT1 H
+ATOM 6948 OH2 TIP3W4059 0.526 -5.777 -7.279 1.00 0.00 WT1 O
+ATOM 6949 H1 TIP3W4059 0.047 -5.519 -8.098 1.00 0.00 WT1 H
+ATOM 6950 H2 TIP3W4059 1.240 -6.367 -7.542 1.00 0.00 WT1 H
+ATOM 6951 OH2 TIP3W4060 12.575 -14.978 -10.071 1.00 0.00 WT1 O
+ATOM 6952 H1 TIP3W4060 12.672 -15.934 -10.181 1.00 0.00 WT1 H
+ATOM 6953 H2 TIP3W4060 12.576 -14.734 -11.046 1.00 0.00 WT1 H
+ATOM 6954 OH2 TIP3W4062 6.365 -30.964 5.286 1.00 0.00 WT1 O
+ATOM 6955 H1 TIP3W4062 7.265 -30.570 5.271 1.00 0.00 WT1 H
+ATOM 6956 H2 TIP3W4062 6.213 -31.227 4.346 1.00 0.00 WT1 H
+ATOM 6957 OH2 TIP3W4063 6.812 -10.666 19.010 1.00 0.00 WT1 O
+ATOM 6958 H1 TIP3W4063 5.879 -10.367 18.922 1.00 0.00 WT1 H
+ATOM 6959 H2 TIP3W4063 6.756 -10.821 19.931 1.00 0.00 WT1 H
+ATOM 6960 OH2 TIP3W4064 15.741 -7.372 -4.879 1.00 0.00 WT1 O
+ATOM 6961 H1 TIP3W4064 16.260 -6.916 -4.244 1.00 0.00 WT1 H
+ATOM 6962 H2 TIP3W4064 15.568 -8.247 -4.591 1.00 0.00 WT1 H
+ATOM 6963 OH2 TIP3W4065 -2.798 -18.579 10.359 1.00 0.00 WT1 O
+ATOM 6964 H1 TIP3W4065 -3.019 -17.790 9.752 1.00 0.00 WT1 H
+ATOM 6965 H2 TIP3W4065 -3.532 -19.152 10.308 1.00 0.00 WT1 H
+ATOM 6966 OH2 TIP3W4066 3.051 -4.044 13.808 1.00 0.00 WT1 O
+ATOM 6967 H1 TIP3W4066 2.440 -4.336 14.524 1.00 0.00 WT1 H
+ATOM 6968 H2 TIP3W4066 3.828 -3.662 14.270 1.00 0.00 WT1 H
+ATOM 6969 OH2 TIP3W4072 16.845 -24.710 -15.393 1.00 0.00 WT1 O
+ATOM 6970 H1 TIP3W4072 17.511 -24.460 -16.034 1.00 0.00 WT1 H
+ATOM 6971 H2 TIP3W4072 16.107 -24.072 -15.501 1.00 0.00 WT1 H
+ATOM 6972 OH2 TIP3W4074 -15.252 -14.434 -16.104 1.00 0.00 WT1 O
+ATOM 6973 H1 TIP3W4074 -15.015 -14.017 -16.994 1.00 0.00 WT1 H
+ATOM 6974 H2 TIP3W4074 -16.053 -14.963 -16.309 1.00 0.00 WT1 H
+ATOM 6975 OH2 TIP3W4076 3.522 -16.346 -11.555 1.00 0.00 WT1 O
+ATOM 6976 H1 TIP3W4076 3.597 -15.823 -12.387 1.00 0.00 WT1 H
+ATOM 6977 H2 TIP3W4076 3.731 -15.723 -10.893 1.00 0.00 WT1 H
+ATOM 6978 OH2 TIP3W4077 -8.674 -21.367 -5.811 1.00 0.00 WT1 O
+ATOM 6979 H1 TIP3W4077 -8.673 -21.475 -6.771 1.00 0.00 WT1 H
+ATOM 6980 H2 TIP3W4077 -8.974 -20.472 -5.676 1.00 0.00 WT1 H
+ATOM 6981 OH2 TIP3W4080 6.076 -5.305 10.645 1.00 0.00 WT1 O
+ATOM 6982 H1 TIP3W4080 5.918 -4.406 10.416 1.00 0.00 WT1 H
+ATOM 6983 H2 TIP3W4080 6.433 -5.597 9.830 1.00 0.00 WT1 H
+ATOM 6984 OH2 TIP3W4082 3.640 -23.217 11.684 1.00 0.00 WT1 O
+ATOM 6985 H1 TIP3W4082 3.672 -24.135 11.768 1.00 0.00 WT1 H
+ATOM 6986 H2 TIP3W4082 4.549 -22.983 11.473 1.00 0.00 WT1 H
+ATOM 6987 OH2 TIP3W4084 9.194 -23.653 2.105 1.00 0.00 WT1 O
+ATOM 6988 H1 TIP3W4084 9.979 -23.551 1.529 1.00 0.00 WT1 H
+ATOM 6989 H2 TIP3W4084 9.502 -23.455 3.010 1.00 0.00 WT1 H
+ATOM 6990 OH2 TIP3W4085 0.190 -9.281 15.296 1.00 0.00 WT1 O
+ATOM 6991 H1 TIP3W4085 -0.056 -9.110 16.220 1.00 0.00 WT1 H
+ATOM 6992 H2 TIP3W4085 1.138 -9.576 15.382 1.00 0.00 WT1 H
+ATOM 6993 OH2 TIP3W4086 11.943 -1.613 19.333 1.00 0.00 WT1 O
+ATOM 6994 H1 TIP3W4086 12.724 -2.145 19.373 1.00 0.00 WT1 H
+ATOM 6995 H2 TIP3W4086 11.321 -2.074 19.909 1.00 0.00 WT1 H
+ATOM 6996 OH2 TIP3W4088 5.041 4.294 19.769 1.00 0.00 WT1 O
+ATOM 6997 H1 TIP3W4088 5.084 3.817 20.584 1.00 0.00 WT1 H
+ATOM 6998 H2 TIP3W4088 5.347 5.130 20.004 1.00 0.00 WT1 H
+ATOM 6999 OH2 TIP3W4089 7.145 -14.191 21.529 1.00 0.00 WT1 O
+ATOM 7000 H1 TIP3W4089 7.325 -13.824 20.654 1.00 0.00 WT1 H
+ATOM 7001 H2 TIP3W4089 6.909 -15.112 21.409 1.00 0.00 WT1 H
+ATOM 7002 OH2 TIP3W4091 4.231 -5.814 19.828 1.00 0.00 WT1 O
+ATOM 7003 H1 TIP3W4091 5.085 -6.026 19.301 1.00 0.00 WT1 H
+ATOM 7004 H2 TIP3W4091 3.965 -6.671 20.265 1.00 0.00 WT1 H
+ATOM 7005 OH2 TIP3W4093 9.714 -1.905 -18.118 1.00 0.00 WT1 O
+ATOM 7006 H1 TIP3W4093 9.419 -2.248 -18.937 1.00 0.00 WT1 H
+ATOM 7007 H2 TIP3W4093 9.328 -1.032 -18.011 1.00 0.00 WT1 H
+ATOM 7008 OH2 TIP3W4096 10.929 -12.792 2.754 1.00 0.00 WT1 O
+ATOM 7009 H1 TIP3W4096 11.090 -13.035 3.657 1.00 0.00 WT1 H
+ATOM 7010 H2 TIP3W4096 11.445 -11.983 2.608 1.00 0.00 WT1 H
+ATOM 7011 OH2 TIP3W4097 -0.611 -2.271 -19.828 1.00 0.00 WT1 O
+ATOM 7012 H1 TIP3W4097 -0.847 -2.537 -18.952 1.00 0.00 WT1 H
+ATOM 7013 H2 TIP3W4097 -0.819 -1.273 -19.917 1.00 0.00 WT1 H
+ATOM 7014 OH2 TIP3W4098 11.399 -20.087 -14.227 1.00 0.00 WT1 O
+ATOM 7015 H1 TIP3W4098 11.003 -20.346 -13.376 1.00 0.00 WT1 H
+ATOM 7016 H2 TIP3W4098 11.731 -20.899 -14.664 1.00 0.00 WT1 H
+ATOM 7017 OH2 TIP3W4099 7.947 -22.642 -4.446 1.00 0.00 WT1 O
+ATOM 7018 H1 TIP3W4099 7.981 -21.707 -4.252 1.00 0.00 WT1 H
+ATOM 7019 H2 TIP3W4099 7.005 -22.868 -4.545 1.00 0.00 WT1 H
+ATOM 7020 OH2 TIP3W4100 9.755 26.544 -15.285 1.00 0.00 WT1 O
+ATOM 7021 H1 TIP3W4100 9.579 26.609 -16.248 1.00 0.00 WT1 H
+ATOM 7022 H2 TIP3W4100 10.488 25.943 -15.276 1.00 0.00 WT1 H
+ATOM 7023 OH2 TIP3W4101 17.735 -6.708 -6.786 1.00 0.00 WT1 O
+ATOM 7024 H1 TIP3W4101 17.960 -7.623 -6.462 1.00 0.00 WT1 H
+ATOM 7025 H2 TIP3W4101 16.881 -6.553 -6.368 1.00 0.00 WT1 H
+ATOM 7026 OH2 TIP3W4103 9.953 -15.729 9.337 1.00 0.00 WT1 O
+ATOM 7027 H1 TIP3W4103 9.223 -15.141 9.615 1.00 0.00 WT1 H
+ATOM 7028 H2 TIP3W4103 10.613 -15.663 10.026 1.00 0.00 WT1 H
+ATOM 7029 OH2 TIP3W4104 -5.306 -18.220 -0.866 1.00 0.00 WT1 O
+ATOM 7030 H1 TIP3W4104 -5.660 -18.558 -1.701 1.00 0.00 WT1 H
+ATOM 7031 H2 TIP3W4104 -4.395 -18.587 -0.886 1.00 0.00 WT1 H
+ATOM 7032 OH2 TIP3W4105 5.378 -2.703 14.865 1.00 0.00 WT1 O
+ATOM 7033 H1 TIP3W4105 5.531 -2.034 15.511 1.00 0.00 WT1 H
+ATOM 7034 H2 TIP3W4105 6.206 -2.812 14.493 1.00 0.00 WT1 H
+ATOM 7035 OH2 TIP3W4106 8.978 -19.720 16.481 1.00 0.00 WT1 O
+ATOM 7036 H1 TIP3W4106 8.218 -19.716 17.067 1.00 0.00 WT1 H
+ATOM 7037 H2 TIP3W4106 8.721 -19.113 15.765 1.00 0.00 WT1 H
+ATOM 7038 OH2 TIP3W4107 12.876 3.908 18.956 1.00 0.00 WT1 O
+ATOM 7039 H1 TIP3W4107 13.268 4.746 19.285 1.00 0.00 WT1 H
+ATOM 7040 H2 TIP3W4107 12.511 3.467 19.721 1.00 0.00 WT1 H
+ATOM 7041 OH2 TIP3W4109 5.425 -17.676 17.419 1.00 0.00 WT1 O
+ATOM 7042 H1 TIP3W4109 6.013 -18.416 17.721 1.00 0.00 WT1 H
+ATOM 7043 H2 TIP3W4109 4.556 -17.840 17.831 1.00 0.00 WT1 H
+ATOM 7044 OH2 TIP3W4110 17.853 -3.381 14.189 1.00 0.00 WT1 O
+ATOM 7045 H1 TIP3W4110 18.207 -4.299 14.043 1.00 0.00 WT1 H
+ATOM 7046 H2 TIP3W4110 17.539 -3.545 15.094 1.00 0.00 WT1 H
+ATOM 7047 OH2 TIP3W4111 3.024 -13.318 12.400 1.00 0.00 WT1 O
+ATOM 7048 H1 TIP3W4111 2.306 -12.709 12.179 1.00 0.00 WT1 H
+ATOM 7049 H2 TIP3W4111 2.521 -14.082 12.765 1.00 0.00 WT1 H
+ATOM 7050 OH2 TIP3W4116 5.728 -1.373 -16.682 1.00 0.00 WT1 O
+ATOM 7051 H1 TIP3W4116 6.391 -1.594 -16.024 1.00 0.00 WT1 H
+ATOM 7052 H2 TIP3W4116 5.125 -2.174 -16.607 1.00 0.00 WT1 H
+ATOM 7053 OH2 TIP3W4119 20.950 -0.730 -8.036 1.00 0.00 WT1 O
+ATOM 7054 H1 TIP3W4119 21.585 -0.054 -7.665 1.00 0.00 WT1 H
+ATOM 7055 H2 TIP3W4119 20.320 -0.846 -7.279 1.00 0.00 WT1 H
+ATOM 7056 OH2 TIP3W4120 16.286 -2.242 -10.543 1.00 0.00 WT1 O
+ATOM 7057 H1 TIP3W4120 16.747 -3.085 -10.375 1.00 0.00 WT1 H
+ATOM 7058 H2 TIP3W4120 16.779 -1.809 -11.301 1.00 0.00 WT1 H
+ATOM 7059 OH2 TIP3W4121 6.311 -13.893 -12.043 1.00 0.00 WT1 O
+ATOM 7060 H1 TIP3W4121 6.294 -14.339 -11.196 1.00 0.00 WT1 H
+ATOM 7061 H2 TIP3W4121 5.301 -13.730 -12.176 1.00 0.00 WT1 H
+ATOM 7062 OH2 TIP3W4122 9.446 -9.873 6.638 1.00 0.00 WT1 O
+ATOM 7063 H1 TIP3W4122 10.340 -10.145 6.791 1.00 0.00 WT1 H
+ATOM 7064 H2 TIP3W4122 9.366 -9.930 5.647 1.00 0.00 WT1 H
+ATOM 7065 OH2 TIP3W4123 16.055 -3.660 -6.591 1.00 0.00 WT1 O
+ATOM 7066 H1 TIP3W4123 15.083 -3.693 -6.752 1.00 0.00 WT1 H
+ATOM 7067 H2 TIP3W4123 16.400 -3.994 -7.425 1.00 0.00 WT1 H
+ATOM 7068 OH2 TIP3W4124 8.339 -2.318 17.860 1.00 0.00 WT1 O
+ATOM 7069 H1 TIP3W4124 8.996 -1.536 17.791 1.00 0.00 WT1 H
+ATOM 7070 H2 TIP3W4124 8.125 -2.497 16.978 1.00 0.00 WT1 H
+ATOM 7071 OH2 TIP3W4126 1.798 -0.454 16.857 1.00 0.00 WT1 O
+ATOM 7072 H1 TIP3W4126 2.290 -0.279 16.019 1.00 0.00 WT1 H
+ATOM 7073 H2 TIP3W4126 2.418 -0.089 17.508 1.00 0.00 WT1 H
+ATOM 7074 OH2 TIP3W4127 5.915 -10.248 8.210 1.00 0.00 WT1 O
+ATOM 7075 H1 TIP3W4127 6.370 -9.955 9.010 1.00 0.00 WT1 H
+ATOM 7076 H2 TIP3W4127 5.188 -9.566 8.039 1.00 0.00 WT1 H
+ATOM 7077 OH2 TIP3W4129 13.562 -1.397 21.903 1.00 0.00 WT1 O
+ATOM 7078 H1 TIP3W4129 13.285 -2.270 21.634 1.00 0.00 WT1 H
+ATOM 7079 H2 TIP3W4129 13.572 -0.874 21.063 1.00 0.00 WT1 H
+ATOM 7080 OH2 TIP3W4131 13.935 -11.136 18.311 1.00 0.00 WT1 O
+ATOM 7081 H1 TIP3W4131 13.913 -10.408 17.706 1.00 0.00 WT1 H
+ATOM 7082 H2 TIP3W4131 13.046 -11.377 18.393 1.00 0.00 WT1 H
+ATOM 7083 OH2 TIP3W4138 5.458 -14.007 -20.672 1.00 0.00 WT1 O
+ATOM 7084 H1 TIP3W4138 5.341 -13.277 -21.419 1.00 0.00 WT1 H
+ATOM 7085 H2 TIP3W4138 4.573 -14.230 -20.379 1.00 0.00 WT1 H
+ATOM 7086 OH2 TIP3W4139 3.895 -4.854 -14.165 1.00 0.00 WT1 O
+ATOM 7087 H1 TIP3W4139 3.418 -5.026 -13.290 1.00 0.00 WT1 H
+ATOM 7088 H2 TIP3W4139 3.343 -5.329 -14.812 1.00 0.00 WT1 H
+ATOM 7089 OH2 TIP3W4141 -0.866 -11.419 -15.141 1.00 0.00 WT1 O
+ATOM 7090 H1 TIP3W4141 -0.439 -11.916 -14.414 1.00 0.00 WT1 H
+ATOM 7091 H2 TIP3W4141 -0.100 -11.034 -15.572 1.00 0.00 WT1 H
+ATOM 7092 OH2 TIP3W4142 16.684 -6.832 -20.637 1.00 0.00 WT1 O
+ATOM 7093 H1 TIP3W4142 16.152 -7.552 -20.980 1.00 0.00 WT1 H
+ATOM 7094 H2 TIP3W4142 16.043 -6.084 -20.809 1.00 0.00 WT1 H
+ATOM 7095 OH2 TIP3W4143 4.015 -11.258 -10.539 1.00 0.00 WT1 O
+ATOM 7096 H1 TIP3W4143 4.543 -10.525 -10.214 1.00 0.00 WT1 H
+ATOM 7097 H2 TIP3W4143 4.320 -12.014 -10.056 1.00 0.00 WT1 H
+ATOM 7098 OH2 TIP3W4144 8.510 -25.631 0.463 1.00 0.00 WT1 O
+ATOM 7099 H1 TIP3W4144 9.402 -25.883 0.071 1.00 0.00 WT1 H
+ATOM 7100 H2 TIP3W4144 8.737 -25.014 1.142 1.00 0.00 WT1 H
+ATOM 7101 OH2 TIP3W4145 1.551 -18.530 17.632 1.00 0.00 WT1 O
+ATOM 7102 H1 TIP3W4145 2.135 -19.304 17.539 1.00 0.00 WT1 H
+ATOM 7103 H2 TIP3W4145 1.544 -18.228 16.678 1.00 0.00 WT1 H
+ATOM 7104 OH2 TIP3W4146 9.458 -4.116 3.536 1.00 0.00 WT1 O
+ATOM 7105 H1 TIP3W4146 10.311 -4.294 2.933 1.00 0.00 WT1 H
+ATOM 7106 H2 TIP3W4146 9.236 -3.159 3.431 1.00 0.00 WT1 H
+ATOM 7107 OH2 TIP3W4148 8.267 -0.764 13.688 1.00 0.00 WT1 O
+ATOM 7108 H1 TIP3W4148 7.781 0.104 13.630 1.00 0.00 WT1 H
+ATOM 7109 H2 TIP3W4148 9.121 -0.457 14.071 1.00 0.00 WT1 H
+ATOM 7110 OH2 TIP3W4150 0.585 -0.489 12.220 1.00 0.00 WT1 O
+ATOM 7111 H1 TIP3W4150 0.631 -1.331 11.778 1.00 0.00 WT1 H
+ATOM 7112 H2 TIP3W4150 1.537 -0.163 12.159 1.00 0.00 WT1 H
+ATOM 7113 OH2 TIP3W4151 11.665 -9.531 11.087 1.00 0.00 WT1 O
+ATOM 7114 H1 TIP3W4151 11.561 -10.481 11.065 1.00 0.00 WT1 H
+ATOM 7115 H2 TIP3W4151 10.791 -9.157 10.929 1.00 0.00 WT1 H
+ATOM 7116 OH2 TIP3W4152 -0.154 -16.961 19.056 1.00 0.00 WT1 O
+ATOM 7117 H1 TIP3W4152 0.625 -17.275 18.569 1.00 0.00 WT1 H
+ATOM 7118 H2 TIP3W4152 -0.723 -16.511 18.390 1.00 0.00 WT1 H
+ATOM 7119 OH2 TIP3W4157 4.521 -3.929 -17.210 1.00 0.00 WT1 O
+ATOM 7120 H1 TIP3W4157 5.044 -4.733 -17.455 1.00 0.00 WT1 H
+ATOM 7121 H2 TIP3W4157 3.638 -4.190 -17.338 1.00 0.00 WT1 H
+ATOM 7122 OH2 TIP3W4158 2.357 7.405 -19.914 1.00 0.00 WT1 O
+ATOM 7123 H1 TIP3W4158 2.254 6.469 -20.045 1.00 0.00 WT1 H
+ATOM 7124 H2 TIP3W4158 3.315 7.522 -20.026 1.00 0.00 WT1 H
+ATOM 7125 OH2 TIP3W4159 -3.116 9.306 -14.699 1.00 0.00 WT1 O
+ATOM 7126 H1 TIP3W4159 -3.472 8.433 -14.714 1.00 0.00 WT1 H
+ATOM 7127 H2 TIP3W4159 -2.774 9.538 -13.796 1.00 0.00 WT1 H
+ATOM 7128 OH2 TIP3W4161 8.570 -7.974 -22.077 1.00 0.00 WT1 O
+ATOM 7129 H1 TIP3W4161 8.260 -8.226 -21.192 1.00 0.00 WT1 H
+ATOM 7130 H2 TIP3W4161 9.310 -8.576 -22.117 1.00 0.00 WT1 H
+ATOM 7131 OH2 TIP3W4164 18.180 -14.032 5.976 1.00 0.00 WT1 O
+ATOM 7132 H1 TIP3W4164 18.948 -13.948 5.423 1.00 0.00 WT1 H
+ATOM 7133 H2 TIP3W4164 17.993 -14.974 5.781 1.00 0.00 WT1 H
+ATOM 7134 OH2 TIP3W4165 7.288 -4.284 -4.587 1.00 0.00 WT1 O
+ATOM 7135 H1 TIP3W4165 6.429 -4.194 -4.143 1.00 0.00 WT1 H
+ATOM 7136 H2 TIP3W4165 7.912 -3.942 -3.961 1.00 0.00 WT1 H
+ATOM 7137 OH2 TIP3W4166 12.947 -8.189 13.233 1.00 0.00 WT1 O
+ATOM 7138 H1 TIP3W4166 12.325 -7.583 12.768 1.00 0.00 WT1 H
+ATOM 7139 H2 TIP3W4166 12.702 -9.035 12.807 1.00 0.00 WT1 H
+ATOM 7140 OH2 TIP3W4168 12.739 6.825 10.845 1.00 0.00 WT1 O
+ATOM 7141 H1 TIP3W4168 13.624 6.460 10.836 1.00 0.00 WT1 H
+ATOM 7142 H2 TIP3W4168 12.816 7.413 11.609 1.00 0.00 WT1 H
+ATOM 7143 OH2 TIP3W4170 6.242 -0.341 16.245 1.00 0.00 WT1 O
+ATOM 7144 H1 TIP3W4170 6.349 0.282 15.497 1.00 0.00 WT1 H
+ATOM 7145 H2 TIP3W4170 6.374 0.214 16.976 1.00 0.00 WT1 H
+ATOM 7146 OH2 TIP3W4171 13.115 0.768 19.996 1.00 0.00 WT1 O
+ATOM 7147 H1 TIP3W4171 12.652 0.017 19.577 1.00 0.00 WT1 H
+ATOM 7148 H2 TIP3W4171 12.404 1.375 20.219 1.00 0.00 WT1 H
+ATOM 7149 OH2 TIP3W4179 4.258 -8.909 -21.216 1.00 0.00 WT1 O
+ATOM 7150 H1 TIP3W4179 4.057 -7.988 -21.057 1.00 0.00 WT1 H
+ATOM 7151 H2 TIP3W4179 3.951 -9.389 -20.407 1.00 0.00 WT1 H
+ATOM 7152 OH2 TIP3W4181 2.954 -1.409 -19.862 1.00 0.00 WT1 O
+ATOM 7153 H1 TIP3W4181 3.086 -0.457 -19.671 1.00 0.00 WT1 H
+ATOM 7154 H2 TIP3W4181 3.825 -1.749 -19.655 1.00 0.00 WT1 H
+ATOM 7155 OH2 TIP3W4182 10.000 9.383 -7.707 1.00 0.00 WT1 O
+ATOM 7156 H1 TIP3W4182 10.790 9.554 -8.247 1.00 0.00 WT1 H
+ATOM 7157 H2 TIP3W4182 10.215 8.475 -7.391 1.00 0.00 WT1 H
+ATOM 7158 OH2 TIP3W4183 12.192 10.368 -9.220 1.00 0.00 WT1 O
+ATOM 7159 H1 TIP3W4183 12.942 10.322 -8.555 1.00 0.00 WT1 H
+ATOM 7160 H2 TIP3W4183 12.605 10.393 -10.112 1.00 0.00 WT1 H
+ATOM 7161 OH2 TIP3W4184 0.764 -6.981 -20.545 1.00 0.00 WT1 O
+ATOM 7162 H1 TIP3W4184 1.550 -6.740 -21.119 1.00 0.00 WT1 H
+ATOM 7163 H2 TIP3W4184 0.099 -6.249 -20.844 1.00 0.00 WT1 H
+ATOM 7164 OH2 TIP3W4185 -1.225 -5.782 8.384 1.00 0.00 WT1 O
+ATOM 7165 H1 TIP3W4185 -1.515 -6.523 8.955 1.00 0.00 WT1 H
+ATOM 7166 H2 TIP3W4185 -1.792 -5.025 8.657 1.00 0.00 WT1 H
+ATOM 7167 OH2 TIP3W4188 -2.550 1.575 16.443 1.00 0.00 WT1 O
+ATOM 7168 H1 TIP3W4188 -2.383 2.506 16.562 1.00 0.00 WT1 H
+ATOM 7169 H2 TIP3W4188 -1.872 1.330 15.788 1.00 0.00 WT1 H
+ATOM 7170 OH2 TIP3W4190 5.844 10.410 16.325 1.00 0.00 WT1 O
+ATOM 7171 H1 TIP3W4190 6.117 10.500 17.238 1.00 0.00 WT1 H
+ATOM 7172 H2 TIP3W4190 6.692 10.727 15.886 1.00 0.00 WT1 H
+ATOM 7173 OH2 TIP3W4191 15.242 -3.546 -1.234 1.00 0.00 WT1 O
+ATOM 7174 H1 TIP3W4191 15.229 -3.140 -2.091 1.00 0.00 WT1 H
+ATOM 7175 H2 TIP3W4191 14.798 -2.870 -0.750 1.00 0.00 WT1 H
+ATOM 7176 OH2 TIP3W4194 6.255 15.116 0.359 1.00 0.00 WT1 O
+ATOM 7177 H1 TIP3W4194 5.687 14.892 1.168 1.00 0.00 WT1 H
+ATOM 7178 H2 TIP3W4194 7.095 14.590 0.498 1.00 0.00 WT1 H
+ATOM 7179 OH2 TIP3W4198 12.375 5.810 -18.284 1.00 0.00 WT1 O
+ATOM 7180 H1 TIP3W4198 13.042 6.512 -18.520 1.00 0.00 WT1 H
+ATOM 7181 H2 TIP3W4198 11.537 6.188 -18.630 1.00 0.00 WT1 H
+ATOM 7182 OH2 TIP3W4200 19.174 10.443 -18.061 1.00 0.00 WT1 O
+ATOM 7183 H1 TIP3W4200 19.892 10.145 -18.587 1.00 0.00 WT1 H
+ATOM 7184 H2 TIP3W4200 18.626 10.867 -18.706 1.00 0.00 WT1 H
+ATOM 7185 OH2 TIP3W4201 14.317 -8.855 -20.179 1.00 0.00 WT1 O
+ATOM 7186 H1 TIP3W4201 14.468 -9.258 -19.338 1.00 0.00 WT1 H
+ATOM 7187 H2 TIP3W4201 14.257 -7.889 -19.990 1.00 0.00 WT1 H
+ATOM 7188 OH2 TIP3W4202 1.434 -8.960 -14.548 1.00 0.00 WT1 O
+ATOM 7189 H1 TIP3W4202 2.009 -9.221 -13.852 1.00 0.00 WT1 H
+ATOM 7190 H2 TIP3W4202 0.562 -8.873 -14.053 1.00 0.00 WT1 H
+ATOM 7191 OH2 TIP3W4206 9.077 13.509 -2.018 1.00 0.00 WT1 O
+ATOM 7192 H1 TIP3W4206 9.100 12.774 -1.315 1.00 0.00 WT1 H
+ATOM 7193 H2 TIP3W4206 8.708 13.045 -2.866 1.00 0.00 WT1 H
+ATOM 7194 OH2 TIP3W4207 14.104 8.972 -7.324 1.00 0.00 WT1 O
+ATOM 7195 H1 TIP3W4207 15.050 9.134 -7.541 1.00 0.00 WT1 H
+ATOM 7196 H2 TIP3W4207 13.877 8.133 -7.801 1.00 0.00 WT1 H
+ATOM 7197 OH2 TIP3W4208 13.454 6.238 6.943 1.00 0.00 WT1 O
+ATOM 7198 H1 TIP3W4208 13.232 5.844 6.095 1.00 0.00 WT1 H
+ATOM 7199 H2 TIP3W4208 14.157 5.674 7.230 1.00 0.00 WT1 H
+ATOM 7200 OH2 TIP3W4209 15.280 3.975 7.500 1.00 0.00 WT1 O
+ATOM 7201 H1 TIP3W4209 14.401 3.661 7.333 1.00 0.00 WT1 H
+ATOM 7202 H2 TIP3W4209 15.418 3.707 8.417 1.00 0.00 WT1 H
+ATOM 7203 OH2 TIP3W4210 21.999 9.501 13.627 1.00 0.00 WT1 O
+ATOM 7204 H1 TIP3W4210 21.770 9.031 14.496 1.00 0.00 WT1 H
+ATOM 7205 H2 TIP3W4210 22.439 8.777 13.111 1.00 0.00 WT1 H
+ATOM 7206 OH2 TIP3W4211 10.605 7.181 8.927 1.00 0.00 WT1 O
+ATOM 7207 H1 TIP3W4211 11.102 7.105 8.082 1.00 0.00 WT1 H
+ATOM 7208 H2 TIP3W4211 11.266 7.247 9.692 1.00 0.00 WT1 H
+ATOM 7209 OH2 TIP3W4212 11.704 8.212 21.179 1.00 0.00 WT1 O
+ATOM 7210 H1 TIP3W4212 11.031 7.732 21.664 1.00 0.00 WT1 H
+ATOM 7211 H2 TIP3W4212 12.175 8.668 21.912 1.00 0.00 WT1 H
+ATOM 7212 OH2 TIP3W4213 14.030 11.805 17.898 1.00 0.00 WT1 O
+ATOM 7213 H1 TIP3W4213 13.766 12.590 18.429 1.00 0.00 WT1 H
+ATOM 7214 H2 TIP3W4213 13.753 11.064 18.523 1.00 0.00 WT1 H
+ATOM 7215 OH2 TIP3W4214 5.494 18.744 21.832 1.00 0.00 WT1 O
+ATOM 7216 H1 TIP3W4214 5.172 19.373 21.203 1.00 0.00 WT1 H
+ATOM 7217 H2 TIP3W4214 5.008 17.923 21.558 1.00 0.00 WT1 H
+ATOM 7218 OH2 TIP3W4215 2.755 1.640 11.981 1.00 0.00 WT1 O
+ATOM 7219 H1 TIP3W4215 2.441 2.412 11.385 1.00 0.00 WT1 H
+ATOM 7220 H2 TIP3W4215 3.200 1.103 11.308 1.00 0.00 WT1 H
+ATOM 7221 OH2 TIP3W4216 11.105 -3.211 21.325 1.00 0.00 WT1 O
+ATOM 7222 H1 TIP3W4216 10.227 -3.131 21.648 1.00 0.00 WT1 H
+ATOM 7223 H2 TIP3W4216 11.570 -3.535 22.113 1.00 0.00 WT1 H
+ATOM 7224 OH2 TIP3W4218 20.435 2.257 -14.396 1.00 0.00 WT1 O
+ATOM 7225 H1 TIP3W4218 21.302 2.064 -13.947 1.00 0.00 WT1 H
+ATOM 7226 H2 TIP3W4218 20.629 2.645 -15.248 1.00 0.00 WT1 H
+ATOM 7227 OH2 TIP3W4219 -7.473 1.861 -15.759 1.00 0.00 WT1 O
+ATOM 7228 H1 TIP3W4219 -8.036 1.100 -15.539 1.00 0.00 WT1 H
+ATOM 7229 H2 TIP3W4219 -7.397 2.295 -14.879 1.00 0.00 WT1 H
+ATOM 7230 OH2 TIP3W4224 3.428 9.438 -18.035 1.00 0.00 WT1 O
+ATOM 7231 H1 TIP3W4224 2.486 9.776 -18.054 1.00 0.00 WT1 H
+ATOM 7232 H2 TIP3W4224 3.247 8.597 -18.468 1.00 0.00 WT1 H
+ATOM 7233 OH2 TIP3W4225 7.989 3.781 -8.797 1.00 0.00 WT1 O
+ATOM 7234 H1 TIP3W4225 7.907 3.164 -9.586 1.00 0.00 WT1 H
+ATOM 7235 H2 TIP3W4225 8.139 4.673 -9.214 1.00 0.00 WT1 H
+ATOM 7236 OH2 TIP3W4226 2.139 15.668 -13.396 1.00 0.00 WT1 O
+ATOM 7237 H1 TIP3W4226 1.332 15.858 -13.879 1.00 0.00 WT1 H
+ATOM 7238 H2 TIP3W4226 1.971 14.855 -12.958 1.00 0.00 WT1 H
+ATOM 7239 OH2 TIP3W4227 0.369 10.097 -11.663 1.00 0.00 WT1 O
+ATOM 7240 H1 TIP3W4227 0.483 10.974 -12.122 1.00 0.00 WT1 H
+ATOM 7241 H2 TIP3W4227 0.806 9.530 -12.315 1.00 0.00 WT1 H
+ATOM 7242 OH2 TIP3W4228 6.181 9.446 6.116 1.00 0.00 WT1 O
+ATOM 7243 H1 TIP3W4228 5.632 10.076 5.533 1.00 0.00 WT1 H
+ATOM 7244 H2 TIP3W4228 6.298 8.662 5.556 1.00 0.00 WT1 H
+ATOM 7245 OH2 TIP3W4229 13.139 13.373 -9.362 1.00 0.00 WT1 O
+ATOM 7246 H1 TIP3W4229 13.930 12.714 -9.348 1.00 0.00 WT1 H
+ATOM 7247 H2 TIP3W4229 12.743 13.128 -8.527 1.00 0.00 WT1 H
+ATOM 7248 OH2 TIP3W4231 7.336 4.548 7.954 1.00 0.00 WT1 O
+ATOM 7249 H1 TIP3W4231 8.147 4.418 8.417 1.00 0.00 WT1 H
+ATOM 7250 H2 TIP3W4231 6.665 4.380 8.633 1.00 0.00 WT1 H
+ATOM 7251 OH2 TIP3W4232 -1.152 11.244 6.797 1.00 0.00 WT1 O
+ATOM 7252 H1 TIP3W4232 -1.442 10.378 6.594 1.00 0.00 WT1 H
+ATOM 7253 H2 TIP3W4232 -1.242 11.230 7.787 1.00 0.00 WT1 H
+ATOM 7254 OH2 TIP3W4233 16.288 9.732 7.201 1.00 0.00 WT1 O
+ATOM 7255 H1 TIP3W4233 16.794 9.054 6.729 1.00 0.00 WT1 H
+ATOM 7256 H2 TIP3W4233 16.415 10.559 6.668 1.00 0.00 WT1 H
+ATOM 7257 OH2 TIP3W4234 -6.277 8.028 11.897 1.00 0.00 WT1 O
+ATOM 7258 H1 TIP3W4234 -6.421 7.562 12.757 1.00 0.00 WT1 H
+ATOM 7259 H2 TIP3W4234 -5.748 8.845 12.057 1.00 0.00 WT1 H
+ATOM 7260 OH2 TIP3W4236 -3.740 8.230 16.616 1.00 0.00 WT1 O
+ATOM 7261 H1 TIP3W4236 -4.561 8.300 17.176 1.00 0.00 WT1 H
+ATOM 7262 H2 TIP3W4236 -3.148 8.932 16.904 1.00 0.00 WT1 H
+ATOM 7263 OH2 TIP3W4245 15.451 14.865 -9.398 1.00 0.00 WT1 O
+ATOM 7264 H1 TIP3W4245 14.522 14.481 -9.376 1.00 0.00 WT1 H
+ATOM 7265 H2 TIP3W4245 15.473 15.217 -10.318 1.00 0.00 WT1 H
+ATOM 7266 OH2 TIP3W4246 4.519 20.254 -16.695 1.00 0.00 WT1 O
+ATOM 7267 H1 TIP3W4246 4.212 19.317 -16.700 1.00 0.00 WT1 H
+ATOM 7268 H2 TIP3W4246 4.584 20.474 -17.616 1.00 0.00 WT1 H
+ATOM 7269 OH2 TIP3W4247 4.771 3.625 -15.037 1.00 0.00 WT1 O
+ATOM 7270 H1 TIP3W4247 5.287 2.864 -14.674 1.00 0.00 WT1 H
+ATOM 7271 H2 TIP3W4247 4.943 3.560 -16.030 1.00 0.00 WT1 H
+ATOM 7272 OH2 TIP3W4248 1.559 11.589 -14.015 1.00 0.00 WT1 O
+ATOM 7273 H1 TIP3W4248 0.953 12.269 -14.308 1.00 0.00 WT1 H
+ATOM 7274 H2 TIP3W4248 2.468 11.952 -14.215 1.00 0.00 WT1 H
+ATOM 7275 OH2 TIP3W4249 19.299 10.972 0.086 1.00 0.00 WT1 O
+ATOM 7276 H1 TIP3W4249 19.755 11.297 -0.695 1.00 0.00 WT1 H
+ATOM 7277 H2 TIP3W4249 18.504 10.552 -0.241 1.00 0.00 WT1 H
+ATOM 7278 OH2 TIP3W4250 16.392 18.408 8.617 1.00 0.00 WT1 O
+ATOM 7279 H1 TIP3W4250 16.117 18.918 9.347 1.00 0.00 WT1 H
+ATOM 7280 H2 TIP3W4250 15.548 18.108 8.234 1.00 0.00 WT1 H
+ATOM 7281 OH2 TIP3W4251 14.464 3.386 -3.153 1.00 0.00 WT1 O
+ATOM 7282 H1 TIP3W4251 14.370 2.579 -3.712 1.00 0.00 WT1 H
+ATOM 7283 H2 TIP3W4251 13.920 3.153 -2.348 1.00 0.00 WT1 H
+ATOM 7284 OH2 TIP3W4252 5.542 21.637 9.756 1.00 0.00 WT1 O
+ATOM 7285 H1 TIP3W4252 5.322 20.882 9.107 1.00 0.00 WT1 H
+ATOM 7286 H2 TIP3W4252 6.461 21.484 10.000 1.00 0.00 WT1 H
+ATOM 7287 OH2 TIP3W4254 6.432 27.221 18.797 1.00 0.00 WT1 O
+ATOM 7288 H1 TIP3W4254 6.910 27.976 19.269 1.00 0.00 WT1 H
+ATOM 7289 H2 TIP3W4254 5.523 27.556 18.899 1.00 0.00 WT1 H
+ATOM 7290 OH2 TIP3W4255 4.887 8.000 18.667 1.00 0.00 WT1 O
+ATOM 7291 H1 TIP3W4255 4.842 7.340 17.949 1.00 0.00 WT1 H
+ATOM 7292 H2 TIP3W4255 5.253 8.789 18.267 1.00 0.00 WT1 H
+ATOM 7293 OH2 TIP3W4260 14.421 2.413 22.433 1.00 0.00 WT1 O
+ATOM 7294 H1 TIP3W4260 13.603 2.123 22.088 1.00 0.00 WT1 H
+ATOM 7295 H2 TIP3W4260 14.640 1.573 22.852 1.00 0.00 WT1 H
+ATOM 7296 OH2 TIP3W4262 7.018 15.722 -21.086 1.00 0.00 WT1 O
+ATOM 7297 H1 TIP3W4262 6.178 15.723 -20.590 1.00 0.00 WT1 H
+ATOM 7298 H2 TIP3W4262 7.057 16.688 -21.307 1.00 0.00 WT1 H
+ATOM 7299 OH2 TIP3W4264 4.771 17.368 -22.668 1.00 0.00 WT1 O
+ATOM 7300 H1 TIP3W4264 4.656 16.568 -23.172 1.00 0.00 WT1 H
+ATOM 7301 H2 TIP3W4264 5.531 17.734 -23.123 1.00 0.00 WT1 H
+ATOM 7302 OH2 TIP3W4266 9.030 6.692 -15.526 1.00 0.00 WT1 O
+ATOM 7303 H1 TIP3W4266 8.343 6.090 -15.272 1.00 0.00 WT1 H
+ATOM 7304 H2 TIP3W4266 9.362 6.890 -14.629 1.00 0.00 WT1 H
+ATOM 7305 OH2 TIP3W4267 -0.482 21.873 -21.839 1.00 0.00 WT1 O
+ATOM 7306 H1 TIP3W4267 -1.442 22.091 -21.752 1.00 0.00 WT1 H
+ATOM 7307 H2 TIP3W4267 -0.168 22.607 -22.336 1.00 0.00 WT1 H
+ATOM 7308 OH2 TIP3W4268 -2.068 11.176 -16.481 1.00 0.00 WT1 O
+ATOM 7309 H1 TIP3W4268 -2.770 11.123 -17.167 1.00 0.00 WT1 H
+ATOM 7310 H2 TIP3W4268 -2.169 10.299 -15.991 1.00 0.00 WT1 H
+ATOM 7311 OH2 TIP3W4269 13.610 22.442 -10.972 1.00 0.00 WT1 O
+ATOM 7312 H1 TIP3W4269 13.492 22.885 -11.827 1.00 0.00 WT1 H
+ATOM 7313 H2 TIP3W4269 14.565 22.250 -10.982 1.00 0.00 WT1 H
+ATOM 7314 OH2 TIP3W4270 5.197 14.873 6.695 1.00 0.00 WT1 O
+ATOM 7315 H1 TIP3W4270 5.177 14.557 7.620 1.00 0.00 WT1 H
+ATOM 7316 H2 TIP3W4270 6.075 14.672 6.388 1.00 0.00 WT1 H
+ATOM 7317 OH2 TIP3W4271 8.205 16.555 2.119 1.00 0.00 WT1 O
+ATOM 7318 H1 TIP3W4271 8.810 17.255 1.963 1.00 0.00 WT1 H
+ATOM 7319 H2 TIP3W4271 7.389 17.002 1.750 1.00 0.00 WT1 H
+ATOM 7320 OH2 TIP3W4272 9.223 9.615 5.730 1.00 0.00 WT1 O
+ATOM 7321 H1 TIP3W4272 8.724 8.901 6.215 1.00 0.00 WT1 H
+ATOM 7322 H2 TIP3W4272 9.936 9.166 5.223 1.00 0.00 WT1 H
+ATOM 7323 OH2 TIP3W4274 7.448 11.309 8.465 1.00 0.00 WT1 O
+ATOM 7324 H1 TIP3W4274 6.695 11.231 9.039 1.00 0.00 WT1 H
+ATOM 7325 H2 TIP3W4274 7.154 10.864 7.683 1.00 0.00 WT1 H
+ATOM 7326 OH2 TIP3W4275 4.147 19.563 19.374 1.00 0.00 WT1 O
+ATOM 7327 H1 TIP3W4275 3.384 18.999 19.345 1.00 0.00 WT1 H
+ATOM 7328 H2 TIP3W4275 4.118 19.967 18.500 1.00 0.00 WT1 H
+ATOM 7329 OH2 TIP3W4277 6.524 14.430 14.631 1.00 0.00 WT1 O
+ATOM 7330 H1 TIP3W4277 7.267 14.188 15.169 1.00 0.00 WT1 H
+ATOM 7331 H2 TIP3W4277 6.271 15.352 14.956 1.00 0.00 WT1 H
+ATOM 7332 OH2 TIP3W4278 -1.300 -11.165 17.876 1.00 0.00 WT1 O
+ATOM 7333 H1 TIP3W4278 -2.187 -10.909 18.147 1.00 0.00 WT1 H
+ATOM 7334 H2 TIP3W4278 -1.373 -11.660 17.081 1.00 0.00 WT1 H
+ATOM 7335 OH2 TIP3W4282 11.605 8.935 -19.004 1.00 0.00 WT1 O
+ATOM 7336 H1 TIP3W4282 10.993 9.212 -19.755 1.00 0.00 WT1 H
+ATOM 7337 H2 TIP3W4282 12.467 8.817 -19.353 1.00 0.00 WT1 H
+ATOM 7338 OH2 TIP3W4287 -10.445 -0.360 -9.988 1.00 0.00 WT1 O
+ATOM 7339 H1 TIP3W4287 -10.387 0.187 -10.857 1.00 0.00 WT1 H
+ATOM 7340 H2 TIP3W4287 -9.469 -0.259 -9.714 1.00 0.00 WT1 H
+ATOM 7341 OH2 TIP3W4288 14.822 16.665 -6.081 1.00 0.00 WT1 O
+ATOM 7342 H1 TIP3W4288 14.399 17.553 -6.374 1.00 0.00 WT1 H
+ATOM 7343 H2 TIP3W4288 14.037 16.268 -5.567 1.00 0.00 WT1 H
+ATOM 7344 OH2 TIP3W4289 1.883 29.461 -21.415 1.00 0.00 WT1 O
+ATOM 7345 H1 TIP3W4289 1.032 29.445 -21.827 1.00 0.00 WT1 H
+ATOM 7346 H2 TIP3W4289 2.102 28.441 -21.599 1.00 0.00 WT1 H
+ATOM 7347 OH2 TIP3W4290 -4.139 18.844 -11.189 1.00 0.00 WT1 O
+ATOM 7348 H1 TIP3W4290 -4.705 19.563 -11.556 1.00 0.00 WT1 H
+ATOM 7349 H2 TIP3W4290 -3.681 19.306 -10.427 1.00 0.00 WT1 H
+ATOM 7350 OH2 TIP3W4291 8.384 17.149 7.261 1.00 0.00 WT1 O
+ATOM 7351 H1 TIP3W4291 7.883 16.303 6.993 1.00 0.00 WT1 H
+ATOM 7352 H2 TIP3W4291 8.618 17.422 6.402 1.00 0.00 WT1 H
+ATOM 7353 OH2 TIP3W4292 21.932 17.224 3.361 1.00 0.00 WT1 O
+ATOM 7354 H1 TIP3W4292 22.466 16.864 4.047 1.00 0.00 WT1 H
+ATOM 7355 H2 TIP3W4292 21.123 17.414 3.759 1.00 0.00 WT1 H
+ATOM 7356 OH2 TIP3W4293 10.739 15.414 -1.084 1.00 0.00 WT1 O
+ATOM 7357 H1 TIP3W4293 10.377 16.269 -1.084 1.00 0.00 WT1 H
+ATOM 7358 H2 TIP3W4293 10.057 14.867 -1.558 1.00 0.00 WT1 H
+ATOM 7359 OH2 TIP3W4294 -9.175 11.184 12.888 1.00 0.00 WT1 O
+ATOM 7360 H1 TIP3W4294 -9.757 11.874 12.468 1.00 0.00 WT1 H
+ATOM 7361 H2 TIP3W4294 -8.893 11.650 13.674 1.00 0.00 WT1 H
+ATOM 7362 OH2 TIP3W4295 18.817 16.520 4.889 1.00 0.00 WT1 O
+ATOM 7363 H1 TIP3W4295 18.095 16.414 5.563 1.00 0.00 WT1 H
+ATOM 7364 H2 TIP3W4295 18.506 17.291 4.412 1.00 0.00 WT1 H
+ATOM 7365 OH2 TIP3W4296 -7.911 17.372 9.878 1.00 0.00 WT1 O
+ATOM 7366 H1 TIP3W4296 -8.044 16.489 10.304 1.00 0.00 WT1 H
+ATOM 7367 H2 TIP3W4296 -7.692 17.097 8.985 1.00 0.00 WT1 H
+ATOM 7368 OH2 TIP3W4297 14.326 9.720 -1.674 1.00 0.00 WT1 O
+ATOM 7369 H1 TIP3W4297 14.373 9.360 -2.518 1.00 0.00 WT1 H
+ATOM 7370 H2 TIP3W4297 13.359 9.728 -1.534 1.00 0.00 WT1 H
+ATOM 7371 OH2 TIP3W4298 14.358 3.318 16.710 1.00 0.00 WT1 O
+ATOM 7372 H1 TIP3W4298 13.957 3.816 17.452 1.00 0.00 WT1 H
+ATOM 7373 H2 TIP3W4298 15.242 3.115 17.056 1.00 0.00 WT1 H
+ATOM 7374 OH2 TIP3W4304 14.688 4.230 -16.479 1.00 0.00 WT1 O
+ATOM 7375 H1 TIP3W4304 13.764 4.602 -16.393 1.00 0.00 WT1 H
+ATOM 7376 H2 TIP3W4304 15.201 4.768 -15.887 1.00 0.00 WT1 H
+ATOM 7377 OH2 TIP3W4306 21.540 3.954 -20.572 1.00 0.00 WT1 O
+ATOM 7378 H1 TIP3W4306 20.702 4.410 -20.486 1.00 0.00 WT1 H
+ATOM 7379 H2 TIP3W4306 22.109 4.303 -19.834 1.00 0.00 WT1 H
+ATOM 7380 OH2 TIP3W4307 12.272 2.691 -17.565 1.00 0.00 WT1 O
+ATOM 7381 H1 TIP3W4307 11.491 3.055 -17.199 1.00 0.00 WT1 H
+ATOM 7382 H2 TIP3W4307 12.924 3.444 -17.805 1.00 0.00 WT1 H
+ATOM 7383 OH2 TIP3W4308 11.609 26.763 -22.912 1.00 0.00 WT1 O
+ATOM 7384 H1 TIP3W4308 11.272 26.753 -22.001 1.00 0.00 WT1 H
+ATOM 7385 H2 TIP3W4308 12.364 26.215 -22.869 1.00 0.00 WT1 H
+ATOM 7386 OH2 TIP3W4309 4.673 30.099 -18.970 1.00 0.00 WT1 O
+ATOM 7387 H1 TIP3W4309 4.817 29.861 -19.940 1.00 0.00 WT1 H
+ATOM 7388 H2 TIP3W4309 4.138 29.289 -18.674 1.00 0.00 WT1 H
+ATOM 7389 OH2 TIP3W4310 10.888 23.966 3.761 1.00 0.00 WT1 O
+ATOM 7390 H1 TIP3W4310 11.610 24.305 4.239 1.00 0.00 WT1 H
+ATOM 7391 H2 TIP3W4310 10.508 24.774 3.467 1.00 0.00 WT1 H
+ATOM 7392 OH2 TIP3W4311 10.356 13.863 -9.932 1.00 0.00 WT1 O
+ATOM 7393 H1 TIP3W4311 9.979 14.560 -9.421 1.00 0.00 WT1 H
+ATOM 7394 H2 TIP3W4311 11.330 13.955 -9.696 1.00 0.00 WT1 H
+ATOM 7395 OH2 TIP3W4312 1.971 18.346 0.184 1.00 0.00 WT1 O
+ATOM 7396 H1 TIP3W4312 1.440 17.982 0.865 1.00 0.00 WT1 H
+ATOM 7397 H2 TIP3W4312 2.855 18.166 0.568 1.00 0.00 WT1 H
+ATOM 7398 OH2 TIP3W4314 -2.111 18.015 12.515 1.00 0.00 WT1 O
+ATOM 7399 H1 TIP3W4314 -2.634 18.779 12.180 1.00 0.00 WT1 H
+ATOM 7400 H2 TIP3W4314 -2.792 17.353 12.708 1.00 0.00 WT1 H
+ATOM 7401 OH2 TIP3W4315 -0.307 -0.120 7.935 1.00 0.00 WT1 O
+ATOM 7402 H1 TIP3W4315 -1.159 -0.191 7.505 1.00 0.00 WT1 H
+ATOM 7403 H2 TIP3W4315 -0.245 -1.015 8.406 1.00 0.00 WT1 H
+ATOM 7404 OH2 TIP3W4316 9.049 23.400 8.370 1.00 0.00 WT1 O
+ATOM 7405 H1 TIP3W4316 8.648 22.648 7.965 1.00 0.00 WT1 H
+ATOM 7406 H2 TIP3W4316 8.543 23.547 9.200 1.00 0.00 WT1 H
+ATOM 7407 OH2 TIP3W4317 -2.834 19.576 7.335 1.00 0.00 WT1 O
+ATOM 7408 H1 TIP3W4317 -1.929 19.171 7.162 1.00 0.00 WT1 H
+ATOM 7409 H2 TIP3W4317 -2.895 20.385 6.867 1.00 0.00 WT1 H
+ATOM 7410 OH2 TIP3W4318 -0.187 20.006 8.726 1.00 0.00 WT1 O
+ATOM 7411 H1 TIP3W4318 -0.491 20.697 9.318 1.00 0.00 WT1 H
+ATOM 7412 H2 TIP3W4318 -0.238 19.194 9.230 1.00 0.00 WT1 H
+ATOM 7413 OH2 TIP3W4320 -0.489 24.903 17.492 1.00 0.00 WT1 O
+ATOM 7414 H1 TIP3W4320 -0.680 25.076 16.590 1.00 0.00 WT1 H
+ATOM 7415 H2 TIP3W4320 -1.317 24.427 17.813 1.00 0.00 WT1 H
+ATOM 7416 OH2 TIP3W4321 6.028 15.917 -18.338 1.00 0.00 WT1 O
+ATOM 7417 H1 TIP3W4321 6.540 15.809 -17.546 1.00 0.00 WT1 H
+ATOM 7418 H2 TIP3W4321 5.162 15.888 -18.021 1.00 0.00 WT1 H
+ATOM 7419 OH2 TIP3W4322 -8.125 21.487 21.699 1.00 0.00 WT1 O
+ATOM 7420 H1 TIP3W4322 -7.203 21.218 21.603 1.00 0.00 WT1 H
+ATOM 7421 H2 TIP3W4322 -8.234 21.315 22.644 1.00 0.00 WT1 H
+ATOM 7422 OH2 TIP3W4324 -4.343 21.024 22.618 1.00 0.00 WT1 O
+ATOM 7423 H1 TIP3W4324 -4.504 21.214 21.639 1.00 0.00 WT1 H
+ATOM 7424 H2 TIP3W4324 -4.165 21.907 22.971 1.00 0.00 WT1 H
+ATOM 7425 OH2 TIP3W4328 6.551 7.342 -17.534 1.00 0.00 WT1 O
+ATOM 7426 H1 TIP3W4328 7.177 7.404 -18.210 1.00 0.00 WT1 H
+ATOM 7427 H2 TIP3W4328 6.250 8.217 -17.469 1.00 0.00 WT1 H
+ATOM 7428 OH2 TIP3W4329 -2.924 27.853 -5.920 1.00 0.00 WT1 O
+ATOM 7429 H1 TIP3W4329 -3.901 28.009 -5.941 1.00 0.00 WT1 H
+ATOM 7430 H2 TIP3W4329 -2.818 26.912 -5.509 1.00 0.00 WT1 H
+ATOM 7431 OH2 TIP3W4330 -1.913 18.838 -20.441 1.00 0.00 WT1 O
+ATOM 7432 H1 TIP3W4330 -1.012 18.703 -20.804 1.00 0.00 WT1 H
+ATOM 7433 H2 TIP3W4330 -1.842 19.648 -19.944 1.00 0.00 WT1 H
+ATOM 7434 OH2 TIP3W4331 11.254 27.145 6.062 1.00 0.00 WT1 O
+ATOM 7435 H1 TIP3W4331 11.678 27.704 6.703 1.00 0.00 WT1 H
+ATOM 7436 H2 TIP3W4331 10.618 26.668 6.558 1.00 0.00 WT1 H
+ATOM 7437 OH2 TIP3W4332 10.099 28.764 -7.315 1.00 0.00 WT1 O
+ATOM 7438 H1 TIP3W4332 10.998 29.168 -7.380 1.00 0.00 WT1 H
+ATOM 7439 H2 TIP3W4332 9.754 29.248 -6.604 1.00 0.00 WT1 H
+ATOM 7440 OH2 TIP3W4333 -4.154 25.160 5.577 1.00 0.00 WT1 O
+ATOM 7441 H1 TIP3W4333 -3.237 25.062 5.289 1.00 0.00 WT1 H
+ATOM 7442 H2 TIP3W4333 -4.051 25.527 6.473 1.00 0.00 WT1 H
+ATOM 7443 OH2 TIP3W4334 -16.864 25.622 3.032 1.00 0.00 WT1 O
+ATOM 7444 H1 TIP3W4334 -16.615 26.003 3.819 1.00 0.00 WT1 H
+ATOM 7445 H2 TIP3W4334 -16.559 24.711 3.171 1.00 0.00 WT1 H
+ATOM 7446 OH2 TIP3W4335 0.465 29.531 15.273 1.00 0.00 WT1 O
+ATOM 7447 H1 TIP3W4335 1.336 29.651 14.953 1.00 0.00 WT1 H
+ATOM 7448 H2 TIP3W4335 0.632 28.979 16.098 1.00 0.00 WT1 H
+ATOM 7449 OH2 TIP3W4336 -8.156 15.646 3.372 1.00 0.00 WT1 O
+ATOM 7450 H1 TIP3W4336 -7.656 14.856 3.316 1.00 0.00 WT1 H
+ATOM 7451 H2 TIP3W4336 -8.700 15.667 2.565 1.00 0.00 WT1 H
+ATOM 7452 OH2 TIP3W4337 11.470 9.780 -1.495 1.00 0.00 WT1 O
+ATOM 7453 H1 TIP3W4337 11.341 9.773 -2.491 1.00 0.00 WT1 H
+ATOM 7454 H2 TIP3W4337 11.054 10.629 -1.235 1.00 0.00 WT1 H
+ATOM 7455 OH2 TIP3W4338 9.219 21.567 4.182 1.00 0.00 WT1 O
+ATOM 7456 H1 TIP3W4338 9.339 20.924 3.458 1.00 0.00 WT1 H
+ATOM 7457 H2 TIP3W4338 9.678 22.311 3.810 1.00 0.00 WT1 H
+ATOM 7458 OH2 TIP3W4339 1.963 16.860 12.440 1.00 0.00 WT1 O
+ATOM 7459 H1 TIP3W4339 2.141 17.353 13.267 1.00 0.00 WT1 H
+ATOM 7460 H2 TIP3W4339 2.203 15.904 12.601 1.00 0.00 WT1 H
+ATOM 7461 OH2 TIP3W4349 8.375 27.054 -4.853 1.00 0.00 WT1 O
+ATOM 7462 H1 TIP3W4349 8.007 26.957 -5.755 1.00 0.00 WT1 H
+ATOM 7463 H2 TIP3W4349 8.110 27.957 -4.654 1.00 0.00 WT1 H
+ATOM 7464 OH2 TIP3W4350 -0.128 25.290 -10.443 1.00 0.00 WT1 O
+ATOM 7465 H1 TIP3W4350 0.781 25.480 -10.134 1.00 0.00 WT1 H
+ATOM 7466 H2 TIP3W4350 -0.603 26.170 -10.492 1.00 0.00 WT1 H
+ATOM 7467 OH2 TIP3W4351 -1.816 29.284 -7.922 1.00 0.00 WT1 O
+ATOM 7468 H1 TIP3W4351 -2.232 28.689 -7.260 1.00 0.00 WT1 H
+ATOM 7469 H2 TIP3W4351 -1.789 30.145 -7.508 1.00 0.00 WT1 H
+ATOM 7470 OH2 TIP3W4352 -9.125 23.798 -10.847 1.00 0.00 WT1 O
+ATOM 7471 H1 TIP3W4352 -9.772 23.263 -11.356 1.00 0.00 WT1 H
+ATOM 7472 H2 TIP3W4352 -9.523 24.652 -10.791 1.00 0.00 WT1 H
+ATOM 7473 OH2 TIP3W4353 3.051 17.696 -11.449 1.00 0.00 WT1 O
+ATOM 7474 H1 TIP3W4353 2.775 16.976 -12.056 1.00 0.00 WT1 H
+ATOM 7475 H2 TIP3W4353 3.518 17.231 -10.699 1.00 0.00 WT1 H
+ATOM 7476 OH2 TIP3W4354 5.097 12.411 13.070 1.00 0.00 WT1 O
+ATOM 7477 H1 TIP3W4354 4.447 11.639 13.171 1.00 0.00 WT1 H
+ATOM 7478 H2 TIP3W4354 5.305 12.697 14.000 1.00 0.00 WT1 H
+ATOM 7479 OH2 TIP3W4355 -13.332 25.869 4.564 1.00 0.00 WT1 O
+ATOM 7480 H1 TIP3W4355 -13.440 26.822 4.689 1.00 0.00 WT1 H
+ATOM 7481 H2 TIP3W4355 -12.397 25.864 4.325 1.00 0.00 WT1 H
+ATOM 7482 OH2 TIP3W4356 0.798 -26.010 -3.788 1.00 0.00 WT1 O
+ATOM 7483 H1 TIP3W4356 0.895 -25.875 -2.865 1.00 0.00 WT1 H
+ATOM 7484 H2 TIP3W4356 -0.075 -26.463 -3.776 1.00 0.00 WT1 H
+ATOM 7485 OH2 TIP3W4357 -15.525 30.556 -7.785 1.00 0.00 WT1 O
+ATOM 7486 H1 TIP3W4357 -15.424 30.456 -6.826 1.00 0.00 WT1 H
+ATOM 7487 H2 TIP3W4357 -15.216 29.734 -8.140 1.00 0.00 WT1 H
+ATOM 7488 OH2 TIP3W4358 13.263 18.365 9.574 1.00 0.00 WT1 O
+ATOM 7489 H1 TIP3W4358 12.814 18.468 10.422 1.00 0.00 WT1 H
+ATOM 7490 H2 TIP3W4358 12.957 17.507 9.223 1.00 0.00 WT1 H
+ATOM 7491 OH2 TIP3W4359 6.253 18.283 4.983 1.00 0.00 WT1 O
+ATOM 7492 H1 TIP3W4359 5.533 18.851 5.267 1.00 0.00 WT1 H
+ATOM 7493 H2 TIP3W4359 5.733 17.459 4.688 1.00 0.00 WT1 H
+ATOM 7494 OH2 TIP3W4360 1.044 17.705 22.669 1.00 0.00 WT1 O
+ATOM 7495 H1 TIP3W4360 0.672 18.626 22.716 1.00 0.00 WT1 H
+ATOM 7496 H2 TIP3W4360 0.608 17.356 21.944 1.00 0.00 WT1 H
+ATOM 7497 OH2 TIP3W4361 12.191 17.281 19.711 1.00 0.00 WT1 O
+ATOM 7498 H1 TIP3W4361 12.461 16.464 20.125 1.00 0.00 WT1 H
+ATOM 7499 H2 TIP3W4361 11.274 17.085 19.428 1.00 0.00 WT1 H
+ATOM 7500 OH2 TIP3W4362 3.065 31.789 15.484 1.00 0.00 WT1 O
+ATOM 7501 H1 TIP3W4362 3.625 31.023 15.394 1.00 0.00 WT1 H
+ATOM 7502 H2 TIP3W4362 3.024 32.018 16.453 1.00 0.00 WT1 H
+ATOM 7503 OH2 TIP3W4363 -7.020 30.611 -20.064 1.00 0.00 WT1 O
+ATOM 7504 H1 TIP3W4363 -7.216 31.209 -20.808 1.00 0.00 WT1 H
+ATOM 7505 H2 TIP3W4363 -7.910 30.173 -20.022 1.00 0.00 WT1 H
+ATOM 7506 OH2 TIP3W4371 7.923 23.943 5.442 1.00 0.00 WT1 O
+ATOM 7507 H1 TIP3W4371 7.141 23.676 5.939 1.00 0.00 WT1 H
+ATOM 7508 H2 TIP3W4371 8.336 23.121 5.128 1.00 0.00 WT1 H
+ATOM 7509 OH2 TIP3W4373 3.130 22.786 -9.860 1.00 0.00 WT1 O
+ATOM 7510 H1 TIP3W4373 3.570 22.079 -10.359 1.00 0.00 WT1 H
+ATOM 7511 H2 TIP3W4373 3.781 23.496 -9.736 1.00 0.00 WT1 H
+ATOM 7512 OH2 TIP3W4375 4.178 30.887 0.555 1.00 0.00 WT1 O
+ATOM 7513 H1 TIP3W4375 5.179 30.936 0.413 1.00 0.00 WT1 H
+ATOM 7514 H2 TIP3W4375 4.022 29.963 0.652 1.00 0.00 WT1 H
+ATOM 7515 OH2 TIP3W4377 -16.048 22.617 4.533 1.00 0.00 WT1 O
+ATOM 7516 H1 TIP3W4377 -15.173 22.336 4.342 1.00 0.00 WT1 H
+ATOM 7517 H2 TIP3W4377 -16.524 22.077 3.834 1.00 0.00 WT1 H
+ATOM 7518 OH2 TIP3W4378 -12.241 31.336 21.564 1.00 0.00 WT1 O
+ATOM 7519 H1 TIP3W4378 -12.077 31.356 22.486 1.00 0.00 WT1 H
+ATOM 7520 H2 TIP3W4378 -11.848 30.518 21.313 1.00 0.00 WT1 H
+ATOM 7521 OH2 TIP3W4379 -8.920 15.702 15.084 1.00 0.00 WT1 O
+ATOM 7522 H1 TIP3W4379 -9.007 16.079 15.974 1.00 0.00 WT1 H
+ATOM 7523 H2 TIP3W4379 -8.672 16.534 14.644 1.00 0.00 WT1 H
+ATOM 7524 OH2 TIP3W4380 -4.550 -30.469 0.997 1.00 0.00 WT1 O
+ATOM 7525 H1 TIP3W4380 -3.814 -30.488 1.635 1.00 0.00 WT1 H
+ATOM 7526 H2 TIP3W4380 -4.163 -30.952 0.269 1.00 0.00 WT1 H
+ATOM 7527 OH2 TIP3W4382 -8.529 -29.361 18.159 1.00 0.00 WT1 O
+ATOM 7528 H1 TIP3W4382 -7.945 -29.525 17.351 1.00 0.00 WT1 H
+ATOM 7529 H2 TIP3W4382 -8.360 -30.129 18.756 1.00 0.00 WT1 H
+ATOM 7530 OH2 TIP3W4383 -9.215 19.118 5.796 1.00 0.00 WT1 O
+ATOM 7531 H1 TIP3W4383 -9.733 18.366 5.476 1.00 0.00 WT1 H
+ATOM 7532 H2 TIP3W4383 -8.328 18.678 5.906 1.00 0.00 WT1 H
+ATOM 7533 OH2 TIP3W4387 1.211 20.621 -18.355 1.00 0.00 WT1 O
+ATOM 7534 H1 TIP3W4387 1.609 21.393 -17.991 1.00 0.00 WT1 H
+ATOM 7535 H2 TIP3W4387 1.653 20.454 -19.221 1.00 0.00 WT1 H
+ATOM 7536 OH2 TIP3W4391 -9.762 28.047 -13.704 1.00 0.00 WT1 O
+ATOM 7537 H1 TIP3W4391 -10.576 28.617 -13.776 1.00 0.00 WT1 H
+ATOM 7538 H2 TIP3W4391 -9.045 28.686 -13.505 1.00 0.00 WT1 H
+ATOM 7539 OH2 TIP3W4392 -4.549 31.896 -20.116 1.00 0.00 WT1 O
+ATOM 7540 H1 TIP3W4392 -5.407 31.522 -19.987 1.00 0.00 WT1 H
+ATOM 7541 H2 TIP3W4392 -4.111 31.189 -20.664 1.00 0.00 WT1 H
+ATOM 7542 OH2 TIP3W4393 9.561 28.695 -10.356 1.00 0.00 WT1 O
+ATOM 7543 H1 TIP3W4393 9.342 28.427 -9.395 1.00 0.00 WT1 H
+ATOM 7544 H2 TIP3W4393 8.829 29.267 -10.642 1.00 0.00 WT1 H
+ATOM 7545 OH2 TIP3W4394 0.814 -24.015 -12.891 1.00 0.00 WT1 O
+ATOM 7546 H1 TIP3W4394 1.592 -24.581 -12.905 1.00 0.00 WT1 H
+ATOM 7547 H2 TIP3W4394 0.422 -24.186 -11.976 1.00 0.00 WT1 H
+ATOM 7548 OH2 TIP3W4395 -3.791 24.524 -7.662 1.00 0.00 WT1 O
+ATOM 7549 H1 TIP3W4395 -3.405 24.192 -8.464 1.00 0.00 WT1 H
+ATOM 7550 H2 TIP3W4395 -4.433 23.868 -7.473 1.00 0.00 WT1 H
+ATOM 7551 OH2 TIP3W4396 2.586 -24.598 6.300 1.00 0.00 WT1 O
+ATOM 7552 H1 TIP3W4396 2.590 -23.941 6.992 1.00 0.00 WT1 H
+ATOM 7553 H2 TIP3W4396 2.949 -24.110 5.549 1.00 0.00 WT1 H
+ATOM 7554 OH2 TIP3W4397 8.534 31.381 6.326 1.00 0.00 WT1 O
+ATOM 7555 H1 TIP3W4397 8.825 30.585 6.774 1.00 0.00 WT1 H
+ATOM 7556 H2 TIP3W4397 8.789 32.037 6.990 1.00 0.00 WT1 H
+ATOM 7557 OH2 TIP3W4398 -3.701 25.132 9.521 1.00 0.00 WT1 O
+ATOM 7558 H1 TIP3W4398 -4.347 24.602 8.926 1.00 0.00 WT1 H
+ATOM 7559 H2 TIP3W4398 -3.096 25.429 8.951 1.00 0.00 WT1 H
+ATOM 7560 OH2 TIP3W4400 8.078 21.606 16.301 1.00 0.00 WT1 O
+ATOM 7561 H1 TIP3W4400 8.850 21.400 15.718 1.00 0.00 WT1 H
+ATOM 7562 H2 TIP3W4400 8.009 22.595 16.294 1.00 0.00 WT1 H
+ATOM 7563 OH2 TIP3W4401 -3.926 -24.345 16.525 1.00 0.00 WT1 O
+ATOM 7564 H1 TIP3W4401 -3.315 -25.075 16.614 1.00 0.00 WT1 H
+ATOM 7565 H2 TIP3W4401 -3.404 -23.681 17.076 1.00 0.00 WT1 H
+ATOM 7566 OH2 TIP3W4402 -6.532 30.030 17.552 1.00 0.00 WT1 O
+ATOM 7567 H1 TIP3W4402 -5.564 29.842 17.522 1.00 0.00 WT1 H
+ATOM 7568 H2 TIP3W4402 -6.828 29.823 18.462 1.00 0.00 WT1 H
+ATOM 7569 OH2 TIP3W4404 10.156 -28.037 20.789 1.00 0.00 WT1 O
+ATOM 7570 H1 TIP3W4404 10.859 -28.257 21.421 1.00 0.00 WT1 H
+ATOM 7571 H2 TIP3W4404 9.624 -28.857 20.806 1.00 0.00 WT1 H
+ATOM 7572 OH2 TIP3W4406 17.707 19.603 18.752 1.00 0.00 WT1 O
+ATOM 7573 H1 TIP3W4406 16.967 20.039 19.274 1.00 0.00 WT1 H
+ATOM 7574 H2 TIP3W4406 18.166 19.100 19.402 1.00 0.00 WT1 H
+ATOM 7575 OH2 TIP3W4407 -12.225 -26.966 22.871 1.00 0.00 WT1 O
+ATOM 7576 H1 TIP3W4407 -11.985 -27.185 21.921 1.00 0.00 WT1 H
+ATOM 7577 H2 TIP3W4407 -12.916 -27.656 23.053 1.00 0.00 WT1 H
+ATOM 7578 OH2 TIP3W4411 17.404 29.429 -22.409 1.00 0.00 WT1 O
+ATOM 7579 H1 TIP3W4411 17.038 29.801 -21.621 1.00 0.00 WT1 H
+ATOM 7580 H2 TIP3W4411 18.308 29.767 -22.333 1.00 0.00 WT1 H
+ATOM 7581 OH2 TIP3W4413 9.543 22.422 1.297 1.00 0.00 WT1 O
+ATOM 7582 H1 TIP3W4413 9.434 21.504 1.116 1.00 0.00 WT1 H
+ATOM 7583 H2 TIP3W4413 10.355 22.559 0.898 1.00 0.00 WT1 H
+ATOM 7584 OH2 TIP3W4414 7.746 -27.715 -19.146 1.00 0.00 WT1 O
+ATOM 7585 H1 TIP3W4414 8.307 -28.467 -18.798 1.00 0.00 WT1 H
+ATOM 7586 H2 TIP3W4414 6.967 -27.583 -18.563 1.00 0.00 WT1 H
+ATOM 7587 OH2 TIP3W4417 2.546 -19.252 -4.356 1.00 0.00 WT1 O
+ATOM 7588 H1 TIP3W4417 2.113 -18.341 -4.474 1.00 0.00 WT1 H
+ATOM 7589 H2 TIP3W4417 2.224 -19.530 -3.479 1.00 0.00 WT1 H
+ATOM 7590 OH2 TIP3W4418 16.789 24.087 11.166 1.00 0.00 WT1 O
+ATOM 7591 H1 TIP3W4418 16.979 25.021 11.162 1.00 0.00 WT1 H
+ATOM 7592 H2 TIP3W4418 17.045 23.738 10.225 1.00 0.00 WT1 H
+ATOM 7593 OH2 TIP3W4419 2.917 -29.654 -6.229 1.00 0.00 WT1 O
+ATOM 7594 H1 TIP3W4419 2.419 -28.813 -6.275 1.00 0.00 WT1 H
+ATOM 7595 H2 TIP3W4419 3.315 -29.625 -7.108 1.00 0.00 WT1 H
+ATOM 7596 OH2 TIP3W4421 6.903 -27.633 8.137 1.00 0.00 WT1 O
+ATOM 7597 H1 TIP3W4421 7.782 -27.667 8.539 1.00 0.00 WT1 H
+ATOM 7598 H2 TIP3W4421 6.875 -27.023 7.335 1.00 0.00 WT1 H
+ATOM 7599 OH2 TIP3W4422 15.587 -29.277 9.420 1.00 0.00 WT1 O
+ATOM 7600 H1 TIP3W4422 16.362 -29.253 9.991 1.00 0.00 WT1 H
+ATOM 7601 H2 TIP3W4422 15.338 -28.333 9.324 1.00 0.00 WT1 H
+ATOM 7602 OH2 TIP3W4423 4.819 29.759 16.638 1.00 0.00 WT1 O
+ATOM 7603 H1 TIP3W4423 5.586 29.753 16.036 1.00 0.00 WT1 H
+ATOM 7604 H2 TIP3W4423 4.596 28.808 16.661 1.00 0.00 WT1 H
+ATOM 7605 OH2 TIP3W4424 20.562 26.858 8.621 1.00 0.00 WT1 O
+ATOM 7606 H1 TIP3W4424 20.369 27.779 8.737 1.00 0.00 WT1 H
+ATOM 7607 H2 TIP3W4424 20.510 26.770 7.659 1.00 0.00 WT1 H
+ATOM 7608 OH2 TIP3W4425 -14.634 26.498 9.758 1.00 0.00 WT1 O
+ATOM 7609 H1 TIP3W4425 -13.797 25.974 9.792 1.00 0.00 WT1 H
+ATOM 7610 H2 TIP3W4425 -14.440 27.140 9.095 1.00 0.00 WT1 H
+ATOM 7611 OH2 TIP3W4432 12.631 -13.929 -12.593 1.00 0.00 WT1 O
+ATOM 7612 H1 TIP3W4432 11.891 -13.400 -12.933 1.00 0.00 WT1 H
+ATOM 7613 H2 TIP3W4432 13.061 -14.316 -13.423 1.00 0.00 WT1 H
+ATOM 7614 OH2 TIP3W4434 14.111 -26.898 -16.037 1.00 0.00 WT1 O
+ATOM 7615 H1 TIP3W4434 13.505 -27.603 -15.800 1.00 0.00 WT1 H
+ATOM 7616 H2 TIP3W4434 14.248 -26.440 -15.204 1.00 0.00 WT1 H
+ATOM 7617 OH2 TIP3W4435 12.101 25.790 -3.692 1.00 0.00 WT1 O
+ATOM 7618 H1 TIP3W4435 12.417 25.927 -4.630 1.00 0.00 WT1 H
+ATOM 7619 H2 TIP3W4435 12.888 25.664 -3.173 1.00 0.00 WT1 H
+ATOM 7620 OH2 TIP3W4437 7.069 -23.735 -21.670 1.00 0.00 WT1 O
+ATOM 7621 H1 TIP3W4437 7.176 -23.780 -20.703 1.00 0.00 WT1 H
+ATOM 7622 H2 TIP3W4437 6.628 -22.896 -21.875 1.00 0.00 WT1 H
+ATOM 7623 OH2 TIP3W4438 10.993 -14.123 -3.633 1.00 0.00 WT1 O
+ATOM 7624 H1 TIP3W4438 11.514 -13.371 -3.210 1.00 0.00 WT1 H
+ATOM 7625 H2 TIP3W4438 11.460 -14.889 -3.358 1.00 0.00 WT1 H
+ATOM 7626 OH2 TIP3W4439 11.704 24.140 9.711 1.00 0.00 WT1 O
+ATOM 7627 H1 TIP3W4439 12.253 24.015 8.908 1.00 0.00 WT1 H
+ATOM 7628 H2 TIP3W4439 10.792 23.907 9.387 1.00 0.00 WT1 H
+ATOM 7629 OH2 TIP3W4440 20.568 24.014 -0.004 1.00 0.00 WT1 O
+ATOM 7630 H1 TIP3W4440 21.347 24.100 0.529 1.00 0.00 WT1 H
+ATOM 7631 H2 TIP3W4440 19.946 23.635 0.644 1.00 0.00 WT1 H
+ATOM 7632 OH2 TIP3W4441 14.344 -29.933 6.890 1.00 0.00 WT1 O
+ATOM 7633 H1 TIP3W4441 14.733 -29.718 7.749 1.00 0.00 WT1 H
+ATOM 7634 H2 TIP3W4441 14.902 -30.670 6.504 1.00 0.00 WT1 H
+ATOM 7635 OH2 TIP3W4442 9.476 -23.049 5.752 1.00 0.00 WT1 O
+ATOM 7636 H1 TIP3W4442 8.812 -23.596 6.253 1.00 0.00 WT1 H
+ATOM 7637 H2 TIP3W4442 10.079 -22.827 6.478 1.00 0.00 WT1 H
+ATOM 7638 OH2 TIP3W4443 12.580 -19.910 13.200 1.00 0.00 WT1 O
+ATOM 7639 H1 TIP3W4443 13.226 -19.180 12.970 1.00 0.00 WT1 H
+ATOM 7640 H2 TIP3W4443 12.339 -19.789 14.094 1.00 0.00 WT1 H
+ATOM 7641 OH2 TIP3W4446 10.906 -13.789 17.165 1.00 0.00 WT1 O
+ATOM 7642 H1 TIP3W4446 10.354 -13.068 16.885 1.00 0.00 WT1 H
+ATOM 7643 H2 TIP3W4446 10.253 -14.451 17.452 1.00 0.00 WT1 H
+ATOM 7644 OH2 TIP3W4450 16.759 29.865 21.808 1.00 0.00 WT1 O
+ATOM 7645 H1 TIP3W4450 16.502 30.637 21.234 1.00 0.00 WT1 H
+ATOM 7646 H2 TIP3W4450 16.564 30.167 22.652 1.00 0.00 WT1 H
+ATOM 7647 OH2 TIP3W4452 10.175 23.622 -19.720 1.00 0.00 WT1 O
+ATOM 7648 H1 TIP3W4452 9.645 24.132 -20.328 1.00 0.00 WT1 H
+ATOM 7649 H2 TIP3W4452 10.437 22.876 -20.237 1.00 0.00 WT1 H
+ATOM 7650 OH2 TIP3W4453 21.520 -25.835 -14.258 1.00 0.00 WT1 O
+ATOM 7651 H1 TIP3W4453 21.203 -25.090 -14.755 1.00 0.00 WT1 H
+ATOM 7652 H2 TIP3W4453 22.066 -26.344 -14.900 1.00 0.00 WT1 H
+ATOM 7653 OH2 TIP3W4455 4.859 -27.606 -17.901 1.00 0.00 WT1 O
+ATOM 7654 H1 TIP3W4455 4.890 -28.424 -17.357 1.00 0.00 WT1 H
+ATOM 7655 H2 TIP3W4455 4.460 -26.947 -17.333 1.00 0.00 WT1 H
+ATOM 7656 OH2 TIP3W4456 7.165 -20.690 5.643 1.00 0.00 WT1 O
+ATOM 7657 H1 TIP3W4456 6.835 -20.832 4.709 1.00 0.00 WT1 H
+ATOM 7658 H2 TIP3W4456 6.619 -19.913 5.873 1.00 0.00 WT1 H
+ATOM 7659 OH2 TIP3W4457 13.576 -4.533 -10.215 1.00 0.00 WT1 O
+ATOM 7660 H1 TIP3W4457 14.468 -4.765 -9.994 1.00 0.00 WT1 H
+ATOM 7661 H2 TIP3W4457 13.198 -5.347 -10.275 1.00 0.00 WT1 H
+ATOM 7662 OH2 TIP3W4460 18.247 -13.708 8.771 1.00 0.00 WT1 O
+ATOM 7663 H1 TIP3W4460 17.483 -13.132 9.051 1.00 0.00 WT1 H
+ATOM 7664 H2 TIP3W4460 18.061 -13.986 7.836 1.00 0.00 WT1 H
+ATOM 7665 OH2 TIP3W4461 9.032 -29.074 -2.668 1.00 0.00 WT1 O
+ATOM 7666 H1 TIP3W4461 8.556 -28.301 -2.268 1.00 0.00 WT1 H
+ATOM 7667 H2 TIP3W4461 9.639 -28.681 -3.316 1.00 0.00 WT1 H
+ATOM 7668 OH2 TIP3W4462 11.448 -21.940 7.331 1.00 0.00 WT1 O
+ATOM 7669 H1 TIP3W4462 12.405 -22.051 7.106 1.00 0.00 WT1 H
+ATOM 7670 H2 TIP3W4462 11.503 -21.242 8.081 1.00 0.00 WT1 H
+ATOM 7671 OH2 TIP3W4463 17.734 -27.423 17.090 1.00 0.00 WT1 O
+ATOM 7672 H1 TIP3W4463 16.824 -27.879 17.079 1.00 0.00 WT1 H
+ATOM 7673 H2 TIP3W4463 18.338 -28.176 17.220 1.00 0.00 WT1 H
+ATOM 7674 OH2 TIP3W4465 15.321 -24.757 6.842 1.00 0.00 WT1 O
+ATOM 7675 H1 TIP3W4465 14.876 -23.920 6.981 1.00 0.00 WT1 H
+ATOM 7676 H2 TIP3W4465 14.925 -24.940 5.965 1.00 0.00 WT1 H
+ATOM 7677 OH2 TIP3W4466 15.967 -25.718 2.175 1.00 0.00 WT1 O
+ATOM 7678 H1 TIP3W4466 15.522 -26.356 1.545 1.00 0.00 WT1 H
+ATOM 7679 H2 TIP3W4466 16.526 -26.282 2.759 1.00 0.00 WT1 H
+ATOM 7680 OH2 TIP3W4469 -1.345 -22.636 20.614 1.00 0.00 WT1 O
+ATOM 7681 H1 TIP3W4469 -1.199 -23.060 21.487 1.00 0.00 WT1 H
+ATOM 7682 H2 TIP3W4469 -1.618 -21.729 20.856 1.00 0.00 WT1 H
+ATOM 7683 OH2 TIP3W4470 10.367 -16.211 22.574 1.00 0.00 WT1 O
+ATOM 7684 H1 TIP3W4470 10.253 -16.818 21.863 1.00 0.00 WT1 H
+ATOM 7685 H2 TIP3W4470 9.560 -16.444 23.068 1.00 0.00 WT1 H
+ATOM 7686 OH2 TIP3W4473 14.745 -19.724 -21.776 1.00 0.00 WT1 O
+ATOM 7687 H1 TIP3W4473 14.287 -19.802 -22.614 1.00 0.00 WT1 H
+ATOM 7688 H2 TIP3W4473 14.918 -18.729 -21.730 1.00 0.00 WT1 H
+ATOM 7689 OH2 TIP3W4474 10.664 0.158 -16.059 1.00 0.00 WT1 O
+ATOM 7690 H1 TIP3W4474 10.754 -0.784 -15.841 1.00 0.00 WT1 H
+ATOM 7691 H2 TIP3W4474 10.121 0.515 -15.382 1.00 0.00 WT1 H
+ATOM 7692 OH2 TIP3W4477 11.380 -26.835 -18.469 1.00 0.00 WT1 O
+ATOM 7693 H1 TIP3W4477 12.174 -26.998 -18.990 1.00 0.00 WT1 H
+ATOM 7694 H2 TIP3W4477 11.007 -27.733 -18.155 1.00 0.00 WT1 H
+ATOM 7695 OH2 TIP3W4479 9.763 -20.391 -11.742 1.00 0.00 WT1 O
+ATOM 7696 H1 TIP3W4479 9.066 -20.790 -11.165 1.00 0.00 WT1 H
+ATOM 7697 H2 TIP3W4479 10.563 -20.481 -11.190 1.00 0.00 WT1 H
+ATOM 7698 OH2 TIP3W4482 3.102 -20.948 17.936 1.00 0.00 WT1 O
+ATOM 7699 H1 TIP3W4482 2.652 -21.510 18.498 1.00 0.00 WT1 H
+ATOM 7700 H2 TIP3W4482 3.182 -21.501 17.174 1.00 0.00 WT1 H
+ATOM 7701 OH2 TIP3W4483 15.971 -11.853 12.422 1.00 0.00 WT1 O
+ATOM 7702 H1 TIP3W4483 15.346 -11.640 11.702 1.00 0.00 WT1 H
+ATOM 7703 H2 TIP3W4483 16.298 -11.012 12.692 1.00 0.00 WT1 H
+ATOM 7704 OH2 TIP3W4485 -3.582 -30.527 9.591 1.00 0.00 WT1 O
+ATOM 7705 H1 TIP3W4485 -4.157 -30.650 8.787 1.00 0.00 WT1 H
+ATOM 7706 H2 TIP3W4485 -3.285 -31.414 9.816 1.00 0.00 WT1 H
+ATOM 7707 OH2 TIP3W4488 4.058 28.549 19.406 1.00 0.00 WT1 O
+ATOM 7708 H1 TIP3W4488 4.532 29.022 18.739 1.00 0.00 WT1 H
+ATOM 7709 H2 TIP3W4488 3.182 28.978 19.418 1.00 0.00 WT1 H
+ATOM 7710 OH2 TIP3W4492 14.740 26.503 -22.160 1.00 0.00 WT1 O
+ATOM 7711 H1 TIP3W4492 15.257 26.041 -22.792 1.00 0.00 WT1 H
+ATOM 7712 H2 TIP3W4492 14.317 25.850 -21.727 1.00 0.00 WT1 H
+ATOM 7713 OH2 TIP3W4496 10.441 -10.000 -10.635 1.00 0.00 WT1 O
+ATOM 7714 H1 TIP3W4496 10.254 -10.834 -11.127 1.00 0.00 WT1 H
+ATOM 7715 H2 TIP3W4496 10.809 -9.435 -11.315 1.00 0.00 WT1 H
+ATOM 7716 OH2 TIP3W4497 -1.109 6.322 -11.497 1.00 0.00 WT1 O
+ATOM 7717 H1 TIP3W4497 -1.128 6.433 -12.488 1.00 0.00 WT1 H
+ATOM 7718 H2 TIP3W4497 -1.644 5.497 -11.305 1.00 0.00 WT1 H
+ATOM 7719 OH2 TIP3W4498 0.953 -16.740 8.228 1.00 0.00 WT1 O
+ATOM 7720 H1 TIP3W4498 1.726 -16.163 8.251 1.00 0.00 WT1 H
+ATOM 7721 H2 TIP3W4498 0.381 -16.145 7.760 1.00 0.00 WT1 H
+ATOM 7722 OH2 TIP3W4499 14.612 -17.963 -7.369 1.00 0.00 WT1 O
+ATOM 7723 H1 TIP3W4499 14.167 -17.680 -6.517 1.00 0.00 WT1 H
+ATOM 7724 H2 TIP3W4499 15.433 -17.503 -7.390 1.00 0.00 WT1 H
+ATOM 7725 OH2 TIP3W4500 16.062 -21.472 -19.985 1.00 0.00 WT1 O
+ATOM 7726 H1 TIP3W4500 15.627 -20.898 -20.656 1.00 0.00 WT1 H
+ATOM 7727 H2 TIP3W4500 15.527 -21.520 -19.186 1.00 0.00 WT1 H
+ATOM 7728 OH2 TIP3W4501 -7.904 -21.073 -8.806 1.00 0.00 WT1 O
+ATOM 7729 H1 TIP3W4501 -7.350 -20.466 -9.318 1.00 0.00 WT1 H
+ATOM 7730 H2 TIP3W4501 -8.320 -21.724 -9.431 1.00 0.00 WT1 H
+ATOM 7731 OH2 TIP3W4503 1.649 -3.936 11.341 1.00 0.00 WT1 O
+ATOM 7732 H1 TIP3W4503 0.913 -4.303 11.783 1.00 0.00 WT1 H
+ATOM 7733 H2 TIP3W4503 2.184 -3.913 12.162 1.00 0.00 WT1 H
+ATOM 7734 OH2 TIP3W4504 8.766 -22.495 17.116 1.00 0.00 WT1 O
+ATOM 7735 H1 TIP3W4504 7.803 -22.687 17.235 1.00 0.00 WT1 H
+ATOM 7736 H2 TIP3W4504 8.762 -21.581 16.850 1.00 0.00 WT1 H
+ATOM 7737 OH2 TIP3W4505 2.566 -23.460 22.107 1.00 0.00 WT1 O
+ATOM 7738 H1 TIP3W4505 2.507 -23.768 21.192 1.00 0.00 WT1 H
+ATOM 7739 H2 TIP3W4505 2.111 -24.195 22.621 1.00 0.00 WT1 H
+ATOM 7740 OH2 TIP3W4506 7.678 -15.769 15.967 1.00 0.00 WT1 O
+ATOM 7741 H1 TIP3W4506 7.917 -15.953 16.876 1.00 0.00 WT1 H
+ATOM 7742 H2 TIP3W4506 7.796 -16.577 15.538 1.00 0.00 WT1 H
+ATOM 7743 OH2 TIP3W4507 2.121 -24.184 19.401 1.00 0.00 WT1 O
+ATOM 7744 H1 TIP3W4507 1.392 -24.267 18.785 1.00 0.00 WT1 H
+ATOM 7745 H2 TIP3W4507 2.855 -24.438 18.899 1.00 0.00 WT1 H
+ATOM 7746 OH2 TIP3W4508 -4.876 -11.814 21.596 1.00 0.00 WT1 O
+ATOM 7747 H1 TIP3W4508 -5.653 -12.052 21.072 1.00 0.00 WT1 H
+ATOM 7748 H2 TIP3W4508 -5.284 -11.661 22.516 1.00 0.00 WT1 H
+ATOM 7749 OH2 TIP3W4509 6.094 -25.990 12.259 1.00 0.00 WT1 O
+ATOM 7750 H1 TIP3W4509 6.702 -25.351 12.573 1.00 0.00 WT1 H
+ATOM 7751 H2 TIP3W4509 5.939 -26.560 13.046 1.00 0.00 WT1 H
+ATOM 7752 OH2 TIP3W4513 14.100 -16.944 -17.675 1.00 0.00 WT1 O
+ATOM 7753 H1 TIP3W4513 13.321 -17.430 -17.618 1.00 0.00 WT1 H
+ATOM 7754 H2 TIP3W4513 14.464 -17.348 -18.533 1.00 0.00 WT1 H
+ATOM 7755 OH2 TIP3W4515 -10.172 -23.403 -9.285 1.00 0.00 WT1 O
+ATOM 7756 H1 TIP3W4515 -11.063 -23.476 -9.010 1.00 0.00 WT1 H
+ATOM 7757 H2 TIP3W4515 -10.211 -22.641 -9.908 1.00 0.00 WT1 H
+ATOM 7758 OH2 TIP3W4516 3.362 -7.225 -15.799 1.00 0.00 WT1 O
+ATOM 7759 H1 TIP3W4516 3.411 -7.537 -16.708 1.00 0.00 WT1 H
+ATOM 7760 H2 TIP3W4516 2.647 -7.773 -15.324 1.00 0.00 WT1 H
+ATOM 7761 OH2 TIP3W4518 15.560 -3.963 -15.870 1.00 0.00 WT1 O
+ATOM 7762 H1 TIP3W4518 16.236 -4.129 -16.513 1.00 0.00 WT1 H
+ATOM 7763 H2 TIP3W4518 15.712 -3.053 -15.501 1.00 0.00 WT1 H
+ATOM 7764 OH2 TIP3W4519 -3.515 -15.129 -21.813 1.00 0.00 WT1 O
+ATOM 7765 H1 TIP3W4519 -3.695 -15.347 -22.758 1.00 0.00 WT1 H
+ATOM 7766 H2 TIP3W4519 -2.701 -15.626 -21.685 1.00 0.00 WT1 H
+ATOM 7767 OH2 TIP3W4520 12.769 -10.156 -0.292 1.00 0.00 WT1 O
+ATOM 7768 H1 TIP3W4520 13.357 -10.753 0.203 1.00 0.00 WT1 H
+ATOM 7769 H2 TIP3W4520 12.577 -9.402 0.329 1.00 0.00 WT1 H
+ATOM 7770 OH2 TIP3W4521 5.610 31.166 9.619 1.00 0.00 WT1 O
+ATOM 7771 H1 TIP3W4521 6.105 31.617 10.285 1.00 0.00 WT1 H
+ATOM 7772 H2 TIP3W4521 4.878 31.786 9.464 1.00 0.00 WT1 H
+ATOM 7773 OH2 TIP3W4522 17.913 -29.651 5.044 1.00 0.00 WT1 O
+ATOM 7774 H1 TIP3W4522 18.532 -29.092 5.567 1.00 0.00 WT1 H
+ATOM 7775 H2 TIP3W4522 17.325 -28.929 4.675 1.00 0.00 WT1 H
+ATOM 7776 OH2 TIP3W4523 1.368 -20.292 -2.004 1.00 0.00 WT1 O
+ATOM 7777 H1 TIP3W4523 1.755 -20.804 -1.329 1.00 0.00 WT1 H
+ATOM 7778 H2 TIP3W4523 0.723 -19.723 -1.571 1.00 0.00 WT1 H
+ATOM 7779 OH2 TIP3W4524 7.485 -20.916 -7.423 1.00 0.00 WT1 O
+ATOM 7780 H1 TIP3W4524 7.074 -19.997 -7.309 1.00 0.00 WT1 H
+ATOM 7781 H2 TIP3W4524 6.704 -21.502 -7.319 1.00 0.00 WT1 H
+ATOM 7782 OH2 TIP3W4525 16.841 -0.767 2.368 1.00 0.00 WT1 O
+ATOM 7783 H1 TIP3W4525 17.668 -0.271 2.308 1.00 0.00 WT1 H
+ATOM 7784 H2 TIP3W4525 17.152 -1.534 2.876 1.00 0.00 WT1 H
+ATOM 7785 OH2 TIP3W4536 8.909 -12.290 -14.664 1.00 0.00 WT1 O
+ATOM 7786 H1 TIP3W4536 8.698 -12.043 -15.558 1.00 0.00 WT1 H
+ATOM 7787 H2 TIP3W4536 9.867 -12.150 -14.650 1.00 0.00 WT1 H
+ATOM 7788 OH2 TIP3W4537 -0.967 -8.946 -12.947 1.00 0.00 WT1 O
+ATOM 7789 H1 TIP3W4537 -1.507 -9.405 -13.596 1.00 0.00 WT1 H
+ATOM 7790 H2 TIP3W4537 -1.015 -9.516 -12.123 1.00 0.00 WT1 H
+ATOM 7791 OH2 TIP3W4538 8.404 -8.312 -17.069 1.00 0.00 WT1 O
+ATOM 7792 H1 TIP3W4538 8.334 -8.786 -16.187 1.00 0.00 WT1 H
+ATOM 7793 H2 TIP3W4538 9.324 -8.539 -17.309 1.00 0.00 WT1 H
+ATOM 7794 OH2 TIP3W4540 -1.323 3.654 -11.849 1.00 0.00 WT1 O
+ATOM 7795 H1 TIP3W4540 -0.901 3.614 -12.711 1.00 0.00 WT1 H
+ATOM 7796 H2 TIP3W4540 -1.700 2.757 -11.749 1.00 0.00 WT1 H
+ATOM 7797 OH2 TIP3W4541 10.952 -12.345 11.116 1.00 0.00 WT1 O
+ATOM 7798 H1 TIP3W4541 10.128 -12.409 10.678 1.00 0.00 WT1 H
+ATOM 7799 H2 TIP3W4541 10.642 -12.694 11.977 1.00 0.00 WT1 H
+ATOM 7800 OH2 TIP3W4543 -0.802 -13.635 13.251 1.00 0.00 WT1 O
+ATOM 7801 H1 TIP3W4543 0.003 -14.118 13.414 1.00 0.00 WT1 H
+ATOM 7802 H2 TIP3W4543 -1.051 -14.002 12.406 1.00 0.00 WT1 H
+ATOM 7803 OH2 TIP3W4545 14.057 4.317 3.820 1.00 0.00 WT1 O
+ATOM 7804 H1 TIP3W4545 13.901 3.840 3.030 1.00 0.00 WT1 H
+ATOM 7805 H2 TIP3W4545 14.792 4.913 3.559 1.00 0.00 WT1 H
+ATOM 7806 OH2 TIP3W4548 19.143 -5.920 6.857 1.00 0.00 WT1 O
+ATOM 7807 H1 TIP3W4548 19.428 -6.321 7.712 1.00 0.00 WT1 H
+ATOM 7808 H2 TIP3W4548 18.287 -5.517 7.179 1.00 0.00 WT1 H
+ATOM 7809 OH2 TIP3W4549 16.283 -16.797 11.127 1.00 0.00 WT1 O
+ATOM 7810 H1 TIP3W4549 16.405 -16.113 11.832 1.00 0.00 WT1 H
+ATOM 7811 H2 TIP3W4549 17.066 -17.312 11.206 1.00 0.00 WT1 H
+ATOM 7812 OH2 TIP3W4550 11.473 -19.486 20.749 1.00 0.00 WT1 O
+ATOM 7813 H1 TIP3W4550 11.566 -19.360 21.766 1.00 0.00 WT1 H
+ATOM 7814 H2 TIP3W4550 11.318 -20.449 20.755 1.00 0.00 WT1 H
+ATOM 7815 OH2 TIP3W4551 8.370 5.571 13.749 1.00 0.00 WT1 O
+ATOM 7816 H1 TIP3W4551 8.599 5.820 12.814 1.00 0.00 WT1 H
+ATOM 7817 H2 TIP3W4551 9.082 6.010 14.355 1.00 0.00 WT1 H
+ATOM 7818 OH2 TIP3W4553 0.150 -6.986 -17.376 1.00 0.00 WT1 O
+ATOM 7819 H1 TIP3W4553 0.245 -7.685 -18.112 1.00 0.00 WT1 H
+ATOM 7820 H2 TIP3W4553 -0.770 -6.722 -17.342 1.00 0.00 WT1 H
+ATOM 7821 OH2 TIP3W4558 15.030 -10.187 -17.611 1.00 0.00 WT1 O
+ATOM 7822 H1 TIP3W4558 15.579 -10.707 -18.112 1.00 0.00 WT1 H
+ATOM 7823 H2 TIP3W4558 14.339 -10.800 -17.361 1.00 0.00 WT1 H
+ATOM 7824 OH2 TIP3W4559 -6.267 -8.248 -17.119 1.00 0.00 WT1 O
+ATOM 7825 H1 TIP3W4559 -6.353 -8.973 -16.419 1.00 0.00 WT1 H
+ATOM 7826 H2 TIP3W4559 -6.272 -7.457 -16.532 1.00 0.00 WT1 H
+ATOM 7827 OH2 TIP3W4560 12.918 -6.616 -3.301 1.00 0.00 WT1 O
+ATOM 7828 H1 TIP3W4560 12.966 -6.538 -4.228 1.00 0.00 WT1 H
+ATOM 7829 H2 TIP3W4560 12.547 -5.739 -3.095 1.00 0.00 WT1 H
+ATOM 7830 OH2 TIP3W4561 11.967 -14.270 -20.100 1.00 0.00 WT1 O
+ATOM 7831 H1 TIP3W4561 11.299 -13.873 -20.693 1.00 0.00 WT1 H
+ATOM 7832 H2 TIP3W4561 11.473 -14.943 -19.620 1.00 0.00 WT1 H
+ATOM 7833 OH2 TIP3W4562 13.465 -10.858 -7.447 1.00 0.00 WT1 O
+ATOM 7834 H1 TIP3W4562 13.669 -11.300 -8.274 1.00 0.00 WT1 H
+ATOM 7835 H2 TIP3W4562 14.247 -10.958 -6.834 1.00 0.00 WT1 H
+ATOM 7836 OH2 TIP3W4563 15.621 -0.239 -12.486 1.00 0.00 WT1 O
+ATOM 7837 H1 TIP3W4563 15.481 0.409 -11.724 1.00 0.00 WT1 H
+ATOM 7838 H2 TIP3W4563 14.808 -0.715 -12.413 1.00 0.00 WT1 H
+ATOM 7839 OH2 TIP3W4564 10.396 -6.230 -0.391 1.00 0.00 WT1 O
+ATOM 7840 H1 TIP3W4564 9.998 -6.756 0.312 1.00 0.00 WT1 H
+ATOM 7841 H2 TIP3W4564 10.911 -5.602 0.126 1.00 0.00 WT1 H
+ATOM 7842 OH2 TIP3W4566 11.253 -2.961 14.767 1.00 0.00 WT1 O
+ATOM 7843 H1 TIP3W4566 11.882 -3.069 15.391 1.00 0.00 WT1 H
+ATOM 7844 H2 TIP3W4566 10.995 -2.036 14.928 1.00 0.00 WT1 H
+ATOM 7845 OH2 TIP3W4567 -0.710 -4.260 12.706 1.00 0.00 WT1 O
+ATOM 7846 H1 TIP3W4567 -1.115 -4.718 13.379 1.00 0.00 WT1 H
+ATOM 7847 H2 TIP3W4567 -1.293 -3.612 12.472 1.00 0.00 WT1 H
+ATOM 7848 OH2 TIP3W4568 9.100 -8.392 11.034 1.00 0.00 WT1 O
+ATOM 7849 H1 TIP3W4568 8.424 -8.336 11.713 1.00 0.00 WT1 H
+ATOM 7850 H2 TIP3W4568 8.677 -8.185 10.126 1.00 0.00 WT1 H
+ATOM 7851 OH2 TIP3W4569 9.097 -15.607 -9.827 1.00 0.00 WT1 O
+ATOM 7852 H1 TIP3W4569 9.732 -15.027 -9.418 1.00 0.00 WT1 H
+ATOM 7853 H2 TIP3W4569 9.378 -15.649 -10.812 1.00 0.00 WT1 H
+ATOM 7854 OH2 TIP3W4570 15.549 -12.985 21.424 1.00 0.00 WT1 O
+ATOM 7855 H1 TIP3W4570 15.803 -12.661 20.533 1.00 0.00 WT1 H
+ATOM 7856 H2 TIP3W4570 16.193 -13.744 21.484 1.00 0.00 WT1 H
+ATOM 7857 OH2 TIP3W4574 10.603 -14.059 13.225 1.00 0.00 WT1 O
+ATOM 7858 H1 TIP3W4574 10.795 -14.986 13.269 1.00 0.00 WT1 H
+ATOM 7859 H2 TIP3W4574 9.701 -13.952 13.527 1.00 0.00 WT1 H
+ATOM 7860 OH2 TIP3W4578 0.832 -5.223 -15.130 1.00 0.00 WT1 O
+ATOM 7861 H1 TIP3W4578 0.680 -5.758 -14.318 1.00 0.00 WT1 H
+ATOM 7862 H2 TIP3W4578 0.775 -5.899 -15.840 1.00 0.00 WT1 H
+ATOM 7863 OH2 TIP3W4581 16.900 -14.211 -11.329 1.00 0.00 WT1 O
+ATOM 7864 H1 TIP3W4581 17.211 -13.697 -10.586 1.00 0.00 WT1 H
+ATOM 7865 H2 TIP3W4581 17.142 -15.144 -11.060 1.00 0.00 WT1 H
+ATOM 7866 OH2 TIP3W4582 2.234 -13.486 -19.677 1.00 0.00 WT1 O
+ATOM 7867 H1 TIP3W4582 1.401 -13.172 -20.076 1.00 0.00 WT1 H
+ATOM 7868 H2 TIP3W4582 2.224 -14.442 -19.883 1.00 0.00 WT1 H
+ATOM 7869 OH2 TIP3W4585 15.709 -9.748 6.811 1.00 0.00 WT1 O
+ATOM 7870 H1 TIP3W4585 15.610 -10.157 5.935 1.00 0.00 WT1 H
+ATOM 7871 H2 TIP3W4585 14.971 -9.153 6.872 1.00 0.00 WT1 H
+ATOM 7872 OH2 TIP3W4587 6.889 -5.451 8.008 1.00 0.00 WT1 O
+ATOM 7873 H1 TIP3W4587 7.569 -4.886 8.363 1.00 0.00 WT1 H
+ATOM 7874 H2 TIP3W4587 6.922 -5.291 7.068 1.00 0.00 WT1 H
+ATOM 7875 OH2 TIP3W4589 -4.092 16.995 10.472 1.00 0.00 WT1 O
+ATOM 7876 H1 TIP3W4589 -4.466 16.802 11.345 1.00 0.00 WT1 H
+ATOM 7877 H2 TIP3W4589 -3.595 17.829 10.668 1.00 0.00 WT1 H
+ATOM 7878 OH2 TIP3W4592 5.505 -5.460 13.575 1.00 0.00 WT1 O
+ATOM 7879 H1 TIP3W4592 4.549 -5.454 13.464 1.00 0.00 WT1 H
+ATOM 7880 H2 TIP3W4592 5.800 -5.288 12.639 1.00 0.00 WT1 H
+ATOM 7881 OH2 TIP3W4593 -1.885 1.450 19.952 1.00 0.00 WT1 O
+ATOM 7882 H1 TIP3W4593 -1.764 0.749 19.247 1.00 0.00 WT1 H
+ATOM 7883 H2 TIP3W4593 -1.309 2.065 19.644 1.00 0.00 WT1 H
+ATOM 7884 OH2 TIP3W4595 8.393 0.287 21.572 1.00 0.00 WT1 O
+ATOM 7885 H1 TIP3W4595 8.571 -0.636 21.730 1.00 0.00 WT1 H
+ATOM 7886 H2 TIP3W4595 7.893 0.306 20.802 1.00 0.00 WT1 H
+ATOM 7887 OH2 TIP3W4596 19.867 -16.183 21.189 1.00 0.00 WT1 O
+ATOM 7888 H1 TIP3W4596 20.222 -17.063 21.190 1.00 0.00 WT1 H
+ATOM 7889 H2 TIP3W4596 19.260 -16.093 21.872 1.00 0.00 WT1 H
+ATOM 7890 OH2 TIP3W4599 14.705 -4.759 -21.346 1.00 0.00 WT1 O
+ATOM 7891 H1 TIP3W4599 13.851 -4.302 -21.246 1.00 0.00 WT1 H
+ATOM 7892 H2 TIP3W4599 15.353 -4.078 -21.594 1.00 0.00 WT1 H
+ATOM 7893 OH2 TIP3W4600 14.414 -1.485 -19.487 1.00 0.00 WT1 O
+ATOM 7894 H1 TIP3W4600 15.241 -1.332 -19.051 1.00 0.00 WT1 H
+ATOM 7895 H2 TIP3W4600 13.820 -0.709 -19.271 1.00 0.00 WT1 H
+ATOM 7896 OH2 TIP3W4602 3.751 8.635 -11.139 1.00 0.00 WT1 O
+ATOM 7897 H1 TIP3W4602 3.484 7.738 -10.848 1.00 0.00 WT1 H
+ATOM 7898 H2 TIP3W4602 3.095 8.887 -11.856 1.00 0.00 WT1 H
+ATOM 7899 OH2 TIP3W4603 -4.703 11.806 -7.876 1.00 0.00 WT1 O
+ATOM 7900 H1 TIP3W4603 -4.112 12.453 -7.463 1.00 0.00 WT1 H
+ATOM 7901 H2 TIP3W4603 -4.975 12.257 -8.758 1.00 0.00 WT1 H
+ATOM 7902 OH2 TIP3W4604 20.846 12.577 15.272 1.00 0.00 WT1 O
+ATOM 7903 H1 TIP3W4604 20.223 11.862 14.995 1.00 0.00 WT1 H
+ATOM 7904 H2 TIP3W4604 21.360 12.816 14.490 1.00 0.00 WT1 H
+ATOM 7905 OH2 TIP3W4605 8.761 -3.500 -0.072 1.00 0.00 WT1 O
+ATOM 7906 H1 TIP3W4605 7.933 -3.742 0.398 1.00 0.00 WT1 H
+ATOM 7907 H2 TIP3W4605 9.236 -4.383 -0.043 1.00 0.00 WT1 H
+ATOM 7908 OH2 TIP3W4607 14.429 -14.900 2.791 1.00 0.00 WT1 O
+ATOM 7909 H1 TIP3W4607 14.653 -14.504 3.725 1.00 0.00 WT1 H
+ATOM 7910 H2 TIP3W4607 15.193 -15.406 2.583 1.00 0.00 WT1 H
+ATOM 7911 OH2 TIP3W4608 -0.441 0.926 14.335 1.00 0.00 WT1 O
+ATOM 7912 H1 TIP3W4608 -0.607 0.108 14.807 1.00 0.00 WT1 H
+ATOM 7913 H2 TIP3W4608 0.004 0.649 13.547 1.00 0.00 WT1 H
+ATOM 7914 OH2 TIP3W4610 17.579 -13.958 1.330 1.00 0.00 WT1 O
+ATOM 7915 H1 TIP3W4610 17.450 -13.295 0.649 1.00 0.00 WT1 H
+ATOM 7916 H2 TIP3W4610 17.578 -13.483 2.168 1.00 0.00 WT1 H
+ATOM 7917 OH2 TIP3W4611 12.965 -3.561 16.784 1.00 0.00 WT1 O
+ATOM 7918 H1 TIP3W4611 13.445 -3.833 17.584 1.00 0.00 WT1 H
+ATOM 7919 H2 TIP3W4611 12.118 -3.999 16.941 1.00 0.00 WT1 H
+ATOM 7920 OH2 TIP3W4613 11.716 14.900 21.650 1.00 0.00 WT1 O
+ATOM 7921 H1 TIP3W4613 11.383 15.538 22.328 1.00 0.00 WT1 H
+ATOM 7922 H2 TIP3W4613 12.050 14.188 22.190 1.00 0.00 WT1 H
+ATOM 7923 OH2 TIP3W4619 20.835 -13.694 20.160 1.00 0.00 WT1 O
+ATOM 7924 H1 TIP3W4619 20.866 -12.988 20.735 1.00 0.00 WT1 H
+ATOM 7925 H2 TIP3W4619 20.392 -14.419 20.679 1.00 0.00 WT1 H
+ATOM 7926 OH2 TIP3W4621 5.658 6.747 -13.046 1.00 0.00 WT1 O
+ATOM 7927 H1 TIP3W4621 5.729 6.735 -12.097 1.00 0.00 WT1 H
+ATOM 7928 H2 TIP3W4621 5.476 7.710 -13.170 1.00 0.00 WT1 H
+ATOM 7929 OH2 TIP3W4622 19.038 6.641 -20.332 1.00 0.00 WT1 O
+ATOM 7930 H1 TIP3W4622 19.447 7.430 -20.699 1.00 0.00 WT1 H
+ATOM 7931 H2 TIP3W4622 19.375 6.621 -19.492 1.00 0.00 WT1 H
+ATOM 7932 OH2 TIP3W4623 4.637 6.607 -9.227 1.00 0.00 WT1 O
+ATOM 7933 H1 TIP3W4623 4.157 7.187 -8.591 1.00 0.00 WT1 H
+ATOM 7934 H2 TIP3W4623 4.264 5.677 -9.050 1.00 0.00 WT1 H
+ATOM 7935 OH2 TIP3W4624 17.074 -9.658 -3.984 1.00 0.00 WT1 O
+ATOM 7936 H1 TIP3W4624 17.413 -9.489 -4.894 1.00 0.00 WT1 H
+ATOM 7937 H2 TIP3W4624 17.538 -8.995 -3.488 1.00 0.00 WT1 H
+ATOM 7938 OH2 TIP3W4625 2.764 -7.662 -9.760 1.00 0.00 WT1 O
+ATOM 7939 H1 TIP3W4625 3.616 -8.179 -9.807 1.00 0.00 WT1 H
+ATOM 7940 H2 TIP3W4625 2.436 -7.890 -8.883 1.00 0.00 WT1 H
+ATOM 7941 OH2 TIP3W4627 9.775 4.023 -6.635 1.00 0.00 WT1 O
+ATOM 7942 H1 TIP3W4627 9.202 3.892 -5.924 1.00 0.00 WT1 H
+ATOM 7943 H2 TIP3W4627 9.246 3.687 -7.404 1.00 0.00 WT1 H
+ATOM 7944 OH2 TIP3W4628 16.941 -6.362 -14.561 1.00 0.00 WT1 O
+ATOM 7945 H1 TIP3W4628 16.352 -7.147 -14.575 1.00 0.00 WT1 H
+ATOM 7946 H2 TIP3W4628 16.466 -5.723 -15.091 1.00 0.00 WT1 H
+ATOM 7947 OH2 TIP3W4631 -5.160 -3.194 17.459 1.00 0.00 WT1 O
+ATOM 7948 H1 TIP3W4631 -5.759 -3.879 17.571 1.00 0.00 WT1 H
+ATOM 7949 H2 TIP3W4631 -5.446 -2.526 18.069 1.00 0.00 WT1 H
+ATOM 7950 OH2 TIP3W4632 2.618 10.862 9.402 1.00 0.00 WT1 O
+ATOM 7951 H1 TIP3W4632 2.343 10.279 10.161 1.00 0.00 WT1 H
+ATOM 7952 H2 TIP3W4632 3.370 10.370 8.981 1.00 0.00 WT1 H
+ATOM 7953 OH2 TIP3W4633 9.181 6.871 3.963 1.00 0.00 WT1 O
+ATOM 7954 H1 TIP3W4633 10.140 7.157 3.844 1.00 0.00 WT1 H
+ATOM 7955 H2 TIP3W4633 9.060 6.605 4.860 1.00 0.00 WT1 H
+ATOM 7956 OH2 TIP3W4634 10.126 9.588 11.349 1.00 0.00 WT1 O
+ATOM 7957 H1 TIP3W4634 10.672 10.081 11.933 1.00 0.00 WT1 H
+ATOM 7958 H2 TIP3W4634 10.391 9.896 10.488 1.00 0.00 WT1 H
+ATOM 7959 OH2 TIP3W4635 -3.186 16.065 18.001 1.00 0.00 WT1 O
+ATOM 7960 H1 TIP3W4635 -2.418 15.440 18.143 1.00 0.00 WT1 H
+ATOM 7961 H2 TIP3W4635 -3.210 16.721 18.747 1.00 0.00 WT1 H
+ATOM 7962 OH2 TIP3W4636 5.904 6.980 21.067 1.00 0.00 WT1 O
+ATOM 7963 H1 TIP3W4636 5.387 7.395 20.358 1.00 0.00 WT1 H
+ATOM 7964 H2 TIP3W4636 6.459 7.653 21.392 1.00 0.00 WT1 H
+ATOM 7965 OH2 TIP3W4641 8.460 0.662 -18.041 1.00 0.00 WT1 O
+ATOM 7966 H1 TIP3W4641 9.103 0.768 -17.251 1.00 0.00 WT1 H
+ATOM 7967 H2 TIP3W4641 7.625 1.198 -17.880 1.00 0.00 WT1 H
+ATOM 7968 OH2 TIP3W4643 3.769 16.979 -20.296 1.00 0.00 WT1 O
+ATOM 7969 H1 TIP3W4643 3.908 17.259 -21.247 1.00 0.00 WT1 H
+ATOM 7970 H2 TIP3W4643 3.580 16.067 -20.388 1.00 0.00 WT1 H
+ATOM 7971 OH2 TIP3W4644 19.662 -5.289 -11.681 1.00 0.00 WT1 O
+ATOM 7972 H1 TIP3W4644 19.542 -5.361 -12.655 1.00 0.00 WT1 H
+ATOM 7973 H2 TIP3W4644 20.061 -6.107 -11.408 1.00 0.00 WT1 H
+ATOM 7974 OH2 TIP3W4645 6.089 1.512 -13.444 1.00 0.00 WT1 O
+ATOM 7975 H1 TIP3W4645 5.747 0.587 -13.427 1.00 0.00 WT1 H
+ATOM 7976 H2 TIP3W4645 5.571 1.928 -12.785 1.00 0.00 WT1 H
+ATOM 7977 OH2 TIP3W4647 17.361 2.343 -6.108 1.00 0.00 WT1 O
+ATOM 7978 H1 TIP3W4647 17.787 2.359 -5.236 1.00 0.00 WT1 H
+ATOM 7979 H2 TIP3W4647 17.188 1.389 -6.217 1.00 0.00 WT1 H
+ATOM 7980 OH2 TIP3W4648 12.748 7.989 -14.392 1.00 0.00 WT1 O
+ATOM 7981 H1 TIP3W4648 12.511 8.010 -13.481 1.00 0.00 WT1 H
+ATOM 7982 H2 TIP3W4648 12.641 7.032 -14.666 1.00 0.00 WT1 H
+ATOM 7983 OH2 TIP3W4651 12.538 9.960 2.096 1.00 0.00 WT1 O
+ATOM 7984 H1 TIP3W4651 11.917 10.504 2.549 1.00 0.00 WT1 H
+ATOM 7985 H2 TIP3W4651 11.946 9.443 1.498 1.00 0.00 WT1 H
+ATOM 7986 OH2 TIP3W4652 20.423 5.746 12.559 1.00 0.00 WT1 O
+ATOM 7987 H1 TIP3W4652 20.497 4.873 12.949 1.00 0.00 WT1 H
+ATOM 7988 H2 TIP3W4652 20.249 6.353 13.368 1.00 0.00 WT1 H
+ATOM 7989 OH2 TIP3W4653 10.509 3.573 7.310 1.00 0.00 WT1 O
+ATOM 7990 H1 TIP3W4653 10.537 4.082 6.533 1.00 0.00 WT1 H
+ATOM 7991 H2 TIP3W4653 11.438 3.309 7.336 1.00 0.00 WT1 H
+ATOM 7992 OH2 TIP3W4654 -5.185 -7.427 16.209 1.00 0.00 WT1 O
+ATOM 7993 H1 TIP3W4654 -4.231 -7.311 16.043 1.00 0.00 WT1 H
+ATOM 7994 H2 TIP3W4654 -5.617 -7.111 15.397 1.00 0.00 WT1 H
+ATOM 7995 OH2 TIP3W4655 16.881 2.546 17.186 1.00 0.00 WT1 O
+ATOM 7996 H1 TIP3W4655 16.886 2.317 18.162 1.00 0.00 WT1 H
+ATOM 7997 H2 TIP3W4655 17.018 1.735 16.722 1.00 0.00 WT1 H
+ATOM 7998 OH2 TIP3W4663 3.935 -5.178 -8.501 1.00 0.00 WT1 O
+ATOM 7999 H1 TIP3W4663 4.765 -5.338 -8.021 1.00 0.00 WT1 H
+ATOM 8000 H2 TIP3W4663 3.997 -5.924 -9.131 1.00 0.00 WT1 H
+ATOM 8001 OH2 TIP3W4664 7.661 23.222 -18.287 1.00 0.00 WT1 O
+ATOM 8002 H1 TIP3W4664 8.497 23.629 -18.636 1.00 0.00 WT1 H
+ATOM 8003 H2 TIP3W4664 7.792 23.165 -17.326 1.00 0.00 WT1 H
+ATOM 8004 OH2 TIP3W4665 15.761 8.433 -10.181 1.00 0.00 WT1 O
+ATOM 8005 H1 TIP3W4665 15.770 7.601 -9.638 1.00 0.00 WT1 H
+ATOM 8006 H2 TIP3W4665 15.879 8.149 -11.116 1.00 0.00 WT1 H
+ATOM 8007 OH2 TIP3W4666 19.748 4.279 -8.381 1.00 0.00 WT1 O
+ATOM 8008 H1 TIP3W4666 20.455 4.806 -7.892 1.00 0.00 WT1 H
+ATOM 8009 H2 TIP3W4666 20.053 4.205 -9.313 1.00 0.00 WT1 H
+ATOM 8010 OH2 TIP3W4667 5.414 9.470 -8.945 1.00 0.00 WT1 O
+ATOM 8011 H1 TIP3W4667 6.016 9.674 -9.641 1.00 0.00 WT1 H
+ATOM 8012 H2 TIP3W4667 4.628 9.148 -9.415 1.00 0.00 WT1 H
+ATOM 8013 OH2 TIP3W4668 10.364 6.617 -7.056 1.00 0.00 WT1 O
+ATOM 8014 H1 TIP3W4668 10.255 5.697 -6.797 1.00 0.00 WT1 H
+ATOM 8015 H2 TIP3W4668 10.181 6.485 -8.020 1.00 0.00 WT1 H
+ATOM 8016 OH2 TIP3W4669 -4.295 2.566 8.471 1.00 0.00 WT1 O
+ATOM 8017 H1 TIP3W4669 -4.561 1.840 7.950 1.00 0.00 WT1 H
+ATOM 8018 H2 TIP3W4669 -4.419 3.296 7.822 1.00 0.00 WT1 H
+ATOM 8019 OH2 TIP3W4670 19.099 6.906 -1.940 1.00 0.00 WT1 O
+ATOM 8020 H1 TIP3W4670 19.512 6.629 -1.180 1.00 0.00 WT1 H
+ATOM 8021 H2 TIP3W4670 18.275 7.297 -1.570 1.00 0.00 WT1 H
+ATOM 8022 OH2 TIP3W4671 19.227 4.699 2.571 1.00 0.00 WT1 O
+ATOM 8023 H1 TIP3W4671 19.791 4.303 1.815 1.00 0.00 WT1 H
+ATOM 8024 H2 TIP3W4671 18.987 5.546 2.177 1.00 0.00 WT1 H
+ATOM 8025 OH2 TIP3W4672 12.983 2.327 7.451 1.00 0.00 WT1 O
+ATOM 8026 H1 TIP3W4672 13.038 1.571 8.073 1.00 0.00 WT1 H
+ATOM 8027 H2 TIP3W4672 13.037 1.900 6.566 1.00 0.00 WT1 H
+ATOM 8028 OH2 TIP3W4673 0.919 17.450 -2.134 1.00 0.00 WT1 O
+ATOM 8029 H1 TIP3W4673 1.430 17.425 -1.344 1.00 0.00 WT1 H
+ATOM 8030 H2 TIP3W4673 1.552 17.352 -2.789 1.00 0.00 WT1 H
+ATOM 8031 OH2 TIP3W4674 11.456 8.331 18.023 1.00 0.00 WT1 O
+ATOM 8032 H1 TIP3W4674 11.234 8.434 18.996 1.00 0.00 WT1 H
+ATOM 8033 H2 TIP3W4674 10.905 9.013 17.543 1.00 0.00 WT1 H
+ATOM 8034 OH2 TIP3W4675 12.986 13.809 -1.132 1.00 0.00 WT1 O
+ATOM 8035 H1 TIP3W4675 12.635 13.302 -1.885 1.00 0.00 WT1 H
+ATOM 8036 H2 TIP3W4675 12.275 14.469 -1.046 1.00 0.00 WT1 H
+ATOM 8037 OH2 TIP3W4676 7.756 11.312 14.663 1.00 0.00 WT1 O
+ATOM 8038 H1 TIP3W4676 7.599 10.718 13.912 1.00 0.00 WT1 H
+ATOM 8039 H2 TIP3W4676 8.446 12.037 14.290 1.00 0.00 WT1 H
+ATOM 8040 OH2 TIP3W4677 8.860 6.830 11.170 1.00 0.00 WT1 O
+ATOM 8041 H1 TIP3W4677 9.577 7.277 10.734 1.00 0.00 WT1 H
+ATOM 8042 H2 TIP3W4677 8.636 6.107 10.560 1.00 0.00 WT1 H
+ATOM 8043 OH2 TIP3W4678 6.459 23.375 19.917 1.00 0.00 WT1 O
+ATOM 8044 H1 TIP3W4678 7.348 23.581 19.542 1.00 0.00 WT1 H
+ATOM 8045 H2 TIP3W4678 5.891 23.327 19.133 1.00 0.00 WT1 H
+ATOM 8046 OH2 TIP3W4685 10.386 1.073 -10.334 1.00 0.00 WT1 O
+ATOM 8047 H1 TIP3W4685 10.397 0.220 -9.849 1.00 0.00 WT1 H
+ATOM 8048 H2 TIP3W4685 9.947 0.891 -11.187 1.00 0.00 WT1 H
+ATOM 8049 OH2 TIP3W4686 12.379 12.698 -6.989 1.00 0.00 WT1 O
+ATOM 8050 H1 TIP3W4686 12.016 13.366 -6.418 1.00 0.00 WT1 H
+ATOM 8051 H2 TIP3W4686 13.113 12.253 -6.456 1.00 0.00 WT1 H
+ATOM 8052 OH2 TIP3W4687 16.731 4.988 -10.242 1.00 0.00 WT1 O
+ATOM 8053 H1 TIP3W4687 16.445 5.353 -9.380 1.00 0.00 WT1 H
+ATOM 8054 H2 TIP3W4687 16.468 5.720 -10.793 1.00 0.00 WT1 H
+ATOM 8055 OH2 TIP3W4688 15.327 20.275 3.800 1.00 0.00 WT1 O
+ATOM 8056 H1 TIP3W4688 15.183 19.302 3.585 1.00 0.00 WT1 H
+ATOM 8057 H2 TIP3W4688 14.466 20.594 3.677 1.00 0.00 WT1 H
+ATOM 8058 OH2 TIP3W4689 16.127 10.327 0.304 1.00 0.00 WT1 O
+ATOM 8059 H1 TIP3W4689 16.346 11.260 0.414 1.00 0.00 WT1 H
+ATOM 8060 H2 TIP3W4689 15.317 10.397 -0.225 1.00 0.00 WT1 H
+ATOM 8061 OH2 TIP3W4690 3.189 17.006 -4.148 1.00 0.00 WT1 O
+ATOM 8062 H1 TIP3W4690 4.058 17.331 -4.579 1.00 0.00 WT1 H
+ATOM 8063 H2 TIP3W4690 2.524 17.639 -4.406 1.00 0.00 WT1 H
+ATOM 8064 OH2 TIP3W4691 18.381 7.147 1.363 1.00 0.00 WT1 O
+ATOM 8065 H1 TIP3W4691 19.171 7.737 1.466 1.00 0.00 WT1 H
+ATOM 8066 H2 TIP3W4691 17.659 7.721 1.387 1.00 0.00 WT1 H
+ATOM 8067 OH2 TIP3W4692 6.101 7.204 14.110 1.00 0.00 WT1 O
+ATOM 8068 H1 TIP3W4692 6.528 7.593 14.876 1.00 0.00 WT1 H
+ATOM 8069 H2 TIP3W4692 6.817 6.617 13.776 1.00 0.00 WT1 H
+ATOM 8070 OH2 TIP3W4693 12.822 12.498 6.479 1.00 0.00 WT1 O
+ATOM 8071 H1 TIP3W4693 13.215 13.229 7.087 1.00 0.00 WT1 H
+ATOM 8072 H2 TIP3W4693 13.204 11.735 6.877 1.00 0.00 WT1 H
+ATOM 8073 OH2 TIP3W4694 19.407 12.388 -2.725 1.00 0.00 WT1 O
+ATOM 8074 H1 TIP3W4694 19.640 12.709 -3.674 1.00 0.00 WT1 H
+ATOM 8075 H2 TIP3W4694 19.521 11.413 -2.815 1.00 0.00 WT1 H
+ATOM 8076 OH2 TIP3W4695 1.191 -6.384 18.613 1.00 0.00 WT1 O
+ATOM 8077 H1 TIP3W4695 1.858 -6.849 19.111 1.00 0.00 WT1 H
+ATOM 8078 H2 TIP3W4695 0.581 -6.215 19.356 1.00 0.00 WT1 H
+ATOM 8079 OH2 TIP3W4696 14.525 10.528 10.245 1.00 0.00 WT1 O
+ATOM 8080 H1 TIP3W4696 14.082 10.940 11.044 1.00 0.00 WT1 H
+ATOM 8081 H2 TIP3W4696 14.485 9.545 10.355 1.00 0.00 WT1 H
+ATOM 8082 OH2 TIP3W4697 9.235 16.999 19.186 1.00 0.00 WT1 O
+ATOM 8083 H1 TIP3W4697 9.046 17.087 18.187 1.00 0.00 WT1 H
+ATOM 8084 H2 TIP3W4697 8.939 17.842 19.514 1.00 0.00 WT1 H
+ATOM 8085 OH2 TIP3W4700 15.691 18.421 15.934 1.00 0.00 WT1 O
+ATOM 8086 H1 TIP3W4700 15.599 18.972 15.069 1.00 0.00 WT1 H
+ATOM 8087 H2 TIP3W4700 15.368 18.973 16.684 1.00 0.00 WT1 H
+ATOM 8088 OH2 TIP3W4704 12.096 29.225 -11.264 1.00 0.00 WT1 O
+ATOM 8089 H1 TIP3W4704 11.157 29.236 -10.982 1.00 0.00 WT1 H
+ATOM 8090 H2 TIP3W4704 11.964 28.902 -12.194 1.00 0.00 WT1 H
+ATOM 8091 OH2 TIP3W4705 19.183 22.364 -18.080 1.00 0.00 WT1 O
+ATOM 8092 H1 TIP3W4705 18.665 23.046 -18.579 1.00 0.00 WT1 H
+ATOM 8093 H2 TIP3W4705 18.503 21.833 -17.637 1.00 0.00 WT1 H
+ATOM 8094 OH2 TIP3W4707 12.742 20.937 -8.878 1.00 0.00 WT1 O
+ATOM 8095 H1 TIP3W4707 12.053 21.472 -8.471 1.00 0.00 WT1 H
+ATOM 8096 H2 TIP3W4707 13.118 21.592 -9.544 1.00 0.00 WT1 H
+ATOM 8097 OH2 TIP3W4708 5.389 13.150 -4.270 1.00 0.00 WT1 O
+ATOM 8098 H1 TIP3W4708 5.059 13.018 -3.393 1.00 0.00 WT1 H
+ATOM 8099 H2 TIP3W4708 5.968 13.925 -4.193 1.00 0.00 WT1 H
+ATOM 8100 OH2 TIP3W4710 9.295 9.222 -16.794 1.00 0.00 WT1 O
+ATOM 8101 H1 TIP3W4710 9.033 8.362 -16.492 1.00 0.00 WT1 H
+ATOM 8102 H2 TIP3W4710 10.170 9.329 -16.378 1.00 0.00 WT1 H
+ATOM 8103 OH2 TIP3W4711 17.849 24.117 4.958 1.00 0.00 WT1 O
+ATOM 8104 H1 TIP3W4711 17.025 23.516 5.102 1.00 0.00 WT1 H
+ATOM 8105 H2 TIP3W4711 17.897 24.653 5.793 1.00 0.00 WT1 H
+ATOM 8106 OH2 TIP3W4712 6.123 3.426 2.975 1.00 0.00 WT1 O
+ATOM 8107 H1 TIP3W4712 6.563 3.265 3.791 1.00 0.00 WT1 H
+ATOM 8108 H2 TIP3W4712 6.555 4.274 2.702 1.00 0.00 WT1 H
+ATOM 8109 OH2 TIP3W4713 8.776 11.529 -6.673 1.00 0.00 WT1 O
+ATOM 8110 H1 TIP3W4713 9.330 11.869 -7.390 1.00 0.00 WT1 H
+ATOM 8111 H2 TIP3W4713 9.099 10.627 -6.594 1.00 0.00 WT1 H
+ATOM 8112 OH2 TIP3W4715 21.132 7.270 18.874 1.00 0.00 WT1 O
+ATOM 8113 H1 TIP3W4715 20.166 7.381 19.068 1.00 0.00 WT1 H
+ATOM 8114 H2 TIP3W4715 21.309 6.500 19.469 1.00 0.00 WT1 H
+ATOM 8115 OH2 TIP3W4717 20.737 12.952 8.662 1.00 0.00 WT1 O
+ATOM 8116 H1 TIP3W4717 21.411 13.109 9.299 1.00 0.00 WT1 H
+ATOM 8117 H2 TIP3W4717 21.163 12.576 7.918 1.00 0.00 WT1 H
+ATOM 8118 OH2 TIP3W4725 16.534 -1.443 -15.077 1.00 0.00 WT1 O
+ATOM 8119 H1 TIP3W4725 16.480 -0.968 -14.181 1.00 0.00 WT1 H
+ATOM 8120 H2 TIP3W4725 15.948 -0.870 -15.589 1.00 0.00 WT1 H
+ATOM 8121 OH2 TIP3W4727 18.786 30.384 -15.615 1.00 0.00 WT1 O
+ATOM 8122 H1 TIP3W4727 19.298 31.089 -15.147 1.00 0.00 WT1 H
+ATOM 8123 H2 TIP3W4727 19.311 30.111 -16.389 1.00 0.00 WT1 H
+ATOM 8124 OH2 TIP3W4729 5.575 27.963 -22.815 1.00 0.00 WT1 O
+ATOM 8125 H1 TIP3W4729 5.881 28.538 -22.125 1.00 0.00 WT1 H
+ATOM 8126 H2 TIP3W4729 5.314 27.139 -22.317 1.00 0.00 WT1 H
+ATOM 8127 OH2 TIP3W4730 5.762 24.332 8.190 1.00 0.00 WT1 O
+ATOM 8128 H1 TIP3W4730 5.891 24.426 9.133 1.00 0.00 WT1 H
+ATOM 8129 H2 TIP3W4730 6.011 23.389 8.069 1.00 0.00 WT1 H
+ATOM 8130 OH2 TIP3W4731 9.189 18.304 4.527 1.00 0.00 WT1 O
+ATOM 8131 H1 TIP3W4731 9.321 17.524 3.888 1.00 0.00 WT1 H
+ATOM 8132 H2 TIP3W4731 8.205 18.289 4.602 1.00 0.00 WT1 H
+ATOM 8133 OH2 TIP3W4732 16.705 2.043 -16.351 1.00 0.00 WT1 O
+ATOM 8134 H1 TIP3W4732 15.966 2.568 -16.558 1.00 0.00 WT1 H
+ATOM 8135 H2 TIP3W4732 16.364 1.146 -16.508 1.00 0.00 WT1 H
+ATOM 8136 OH2 TIP3W4734 17.162 15.441 18.541 1.00 0.00 WT1 O
+ATOM 8137 H1 TIP3W4734 17.985 16.006 18.598 1.00 0.00 WT1 H
+ATOM 8138 H2 TIP3W4734 17.237 15.077 17.694 1.00 0.00 WT1 H
+ATOM 8139 OH2 TIP3W4735 18.893 10.965 8.680 1.00 0.00 WT1 O
+ATOM 8140 H1 TIP3W4735 19.517 10.204 8.719 1.00 0.00 WT1 H
+ATOM 8141 H2 TIP3W4735 19.522 11.667 8.878 1.00 0.00 WT1 H
+ATOM 8142 OH2 TIP3W4736 20.331 19.773 10.061 1.00 0.00 WT1 O
+ATOM 8143 H1 TIP3W4736 21.052 19.805 9.454 1.00 0.00 WT1 H
+ATOM 8144 H2 TIP3W4736 20.545 19.039 10.644 1.00 0.00 WT1 H
+ATOM 8145 OH2 TIP3W4737 14.532 30.153 19.212 1.00 0.00 WT1 O
+ATOM 8146 H1 TIP3W4737 13.801 29.684 18.757 1.00 0.00 WT1 H
+ATOM 8147 H2 TIP3W4737 15.207 30.068 18.494 1.00 0.00 WT1 H
+ATOM 8148 OH2 TIP3W4738 6.450 17.991 9.214 1.00 0.00 WT1 O
+ATOM 8149 H1 TIP3W4738 6.862 17.453 8.481 1.00 0.00 WT1 H
+ATOM 8150 H2 TIP3W4738 7.081 18.636 9.382 1.00 0.00 WT1 H
+ATOM 8151 OH2 TIP3W4740 7.366 14.962 11.657 1.00 0.00 WT1 O
+ATOM 8152 H1 TIP3W4740 6.527 14.789 11.836 1.00 0.00 WT1 H
+ATOM 8153 H2 TIP3W4740 7.450 15.856 11.888 1.00 0.00 WT1 H
+ATOM 8154 OH2 TIP3W4745 4.966 24.207 21.886 1.00 0.00 WT1 O
+ATOM 8155 H1 TIP3W4745 4.068 24.483 21.567 1.00 0.00 WT1 H
+ATOM 8156 H2 TIP3W4745 5.386 23.655 21.199 1.00 0.00 WT1 H
+ATOM 8157 OH2 TIP3W4750 9.686 9.517 -13.318 1.00 0.00 WT1 O
+ATOM 8158 H1 TIP3W4750 10.041 8.654 -13.233 1.00 0.00 WT1 H
+ATOM 8159 H2 TIP3W4750 10.492 10.098 -13.240 1.00 0.00 WT1 H
+ATOM 8160 OH2 TIP3W4751 7.355 6.581 -9.917 1.00 0.00 WT1 O
+ATOM 8161 H1 TIP3W4751 7.407 7.543 -10.089 1.00 0.00 WT1 H
+ATOM 8162 H2 TIP3W4751 6.404 6.458 -9.668 1.00 0.00 WT1 H
+ATOM 8163 OH2 TIP3W4753 10.282 15.150 4.308 1.00 0.00 WT1 O
+ATOM 8164 H1 TIP3W4753 10.483 14.865 3.365 1.00 0.00 WT1 H
+ATOM 8165 H2 TIP3W4753 10.203 14.322 4.790 1.00 0.00 WT1 H
+ATOM 8166 OH2 TIP3W4754 -3.646 21.783 3.628 1.00 0.00 WT1 O
+ATOM 8167 H1 TIP3W4754 -4.273 21.183 3.239 1.00 0.00 WT1 H
+ATOM 8168 H2 TIP3W4754 -3.925 21.776 4.566 1.00 0.00 WT1 H
+ATOM 8169 OH2 TIP3W4755 13.412 16.040 1.468 1.00 0.00 WT1 O
+ATOM 8170 H1 TIP3W4755 13.796 15.125 1.495 1.00 0.00 WT1 H
+ATOM 8171 H2 TIP3W4755 13.636 16.333 0.559 1.00 0.00 WT1 H
+ATOM 8172 OH2 TIP3W4756 21.346 27.941 3.421 1.00 0.00 WT1 O
+ATOM 8173 H1 TIP3W4756 22.129 27.417 3.319 1.00 0.00 WT1 H
+ATOM 8174 H2 TIP3W4756 21.642 28.701 2.918 1.00 0.00 WT1 H
+ATOM 8175 OH2 TIP3W4758 8.528 21.181 6.911 1.00 0.00 WT1 O
+ATOM 8176 H1 TIP3W4758 7.948 20.452 6.799 1.00 0.00 WT1 H
+ATOM 8177 H2 TIP3W4758 8.850 21.241 6.002 1.00 0.00 WT1 H
+ATOM 8178 OH2 TIP3W4759 -12.740 13.753 0.247 1.00 0.00 WT1 O
+ATOM 8179 H1 TIP3W4759 -12.332 13.688 1.143 1.00 0.00 WT1 H
+ATOM 8180 H2 TIP3W4759 -12.098 14.367 -0.192 1.00 0.00 WT1 H
+ATOM 8181 OH2 TIP3W4760 -5.668 13.632 3.109 1.00 0.00 WT1 O
+ATOM 8182 H1 TIP3W4760 -5.952 13.763 4.021 1.00 0.00 WT1 H
+ATOM 8183 H2 TIP3W4760 -5.353 12.742 3.051 1.00 0.00 WT1 H
+ATOM 8184 OH2 TIP3W4761 12.342 20.272 19.965 1.00 0.00 WT1 O
+ATOM 8185 H1 TIP3W4761 12.038 20.620 20.828 1.00 0.00 WT1 H
+ATOM 8186 H2 TIP3W4761 12.594 19.407 20.164 1.00 0.00 WT1 H
+ATOM 8187 OH2 TIP3W4763 11.044 23.204 20.764 1.00 0.00 WT1 O
+ATOM 8188 H1 TIP3W4763 10.196 22.696 20.802 1.00 0.00 WT1 H
+ATOM 8189 H2 TIP3W4763 11.070 23.514 21.685 1.00 0.00 WT1 H
+ATOM 8190 OH2 TIP3W4767 9.958 25.953 -18.058 1.00 0.00 WT1 O
+ATOM 8191 H1 TIP3W4767 10.147 25.078 -18.375 1.00 0.00 WT1 H
+ATOM 8192 H2 TIP3W4767 10.337 26.562 -18.743 1.00 0.00 WT1 H
+ATOM 8193 OH2 TIP3W4768 4.369 19.786 -14.014 1.00 0.00 WT1 O
+ATOM 8194 H1 TIP3W4768 4.313 20.261 -14.810 1.00 0.00 WT1 H
+ATOM 8195 H2 TIP3W4768 3.488 19.344 -13.942 1.00 0.00 WT1 H
+ATOM 8196 OH2 TIP3W4770 3.286 27.253 -7.056 1.00 0.00 WT1 O
+ATOM 8197 H1 TIP3W4770 2.994 26.526 -6.431 1.00 0.00 WT1 H
+ATOM 8198 H2 TIP3W4770 3.303 28.116 -6.576 1.00 0.00 WT1 H
+ATOM 8199 OH2 TIP3W4774 8.628 22.486 -2.010 1.00 0.00 WT1 O
+ATOM 8200 H1 TIP3W4774 9.275 21.808 -2.317 1.00 0.00 WT1 H
+ATOM 8201 H2 TIP3W4774 9.032 23.397 -2.297 1.00 0.00 WT1 H
+ATOM 8202 OH2 TIP3W4775 11.060 20.344 10.521 1.00 0.00 WT1 O
+ATOM 8203 H1 TIP3W4775 11.937 20.678 10.685 1.00 0.00 WT1 H
+ATOM 8204 H2 TIP3W4775 11.033 19.616 11.168 1.00 0.00 WT1 H
+ATOM 8205 OH2 TIP3W4776 -3.686 15.370 5.087 1.00 0.00 WT1 O
+ATOM 8206 H1 TIP3W4776 -4.110 14.511 4.886 1.00 0.00 WT1 H
+ATOM 8207 H2 TIP3W4776 -3.517 15.315 6.066 1.00 0.00 WT1 H
+ATOM 8208 OH2 TIP3W4777 4.440 26.809 3.989 1.00 0.00 WT1 O
+ATOM 8209 H1 TIP3W4777 3.924 27.597 3.875 1.00 0.00 WT1 H
+ATOM 8210 H2 TIP3W4777 4.847 26.837 4.875 1.00 0.00 WT1 H
+ATOM 8211 OH2 TIP3W4778 15.659 8.198 18.193 1.00 0.00 WT1 O
+ATOM 8212 H1 TIP3W4778 15.813 7.527 18.884 1.00 0.00 WT1 H
+ATOM 8213 H2 TIP3W4778 15.050 8.753 18.672 1.00 0.00 WT1 H
+ATOM 8214 OH2 TIP3W4779 -8.131 19.368 19.086 1.00 0.00 WT1 O
+ATOM 8215 H1 TIP3W4779 -8.264 19.729 18.146 1.00 0.00 WT1 H
+ATOM 8216 H2 TIP3W4779 -8.764 19.891 19.630 1.00 0.00 WT1 H
+ATOM 8217 OH2 TIP3W4780 19.054 23.848 12.788 1.00 0.00 WT1 O
+ATOM 8218 H1 TIP3W4780 19.648 23.722 11.949 1.00 0.00 WT1 H
+ATOM 8219 H2 TIP3W4780 18.136 23.861 12.414 1.00 0.00 WT1 H
+ATOM 8220 OH2 TIP3W4782 3.219 21.469 21.332 1.00 0.00 WT1 O
+ATOM 8221 H1 TIP3W4782 3.367 20.815 20.617 1.00 0.00 WT1 H
+ATOM 8222 H2 TIP3W4782 3.132 22.297 20.876 1.00 0.00 WT1 H
+ATOM 8223 OH2 TIP3W4785 2.562 28.132 14.167 1.00 0.00 WT1 O
+ATOM 8224 H1 TIP3W4785 2.399 27.349 13.553 1.00 0.00 WT1 H
+ATOM 8225 H2 TIP3W4785 3.129 28.719 13.642 1.00 0.00 WT1 H
+ATOM 8226 OH2 TIP3W4787 13.942 -1.429 -22.921 1.00 0.00 WT1 O
+ATOM 8227 H1 TIP3W4787 14.069 -0.500 -22.790 1.00 0.00 WT1 H
+ATOM 8228 H2 TIP3W4787 14.823 -1.825 -22.662 1.00 0.00 WT1 H
+ATOM 8229 OH2 TIP3W4788 19.625 19.898 -20.672 1.00 0.00 WT1 O
+ATOM 8230 H1 TIP3W4788 20.187 19.427 -21.303 1.00 0.00 WT1 H
+ATOM 8231 H2 TIP3W4788 20.248 20.094 -19.975 1.00 0.00 WT1 H
+ATOM 8232 OH2 TIP3W4790 13.559 19.641 -15.999 1.00 0.00 WT1 O
+ATOM 8233 H1 TIP3W4790 12.639 19.425 -15.944 1.00 0.00 WT1 H
+ATOM 8234 H2 TIP3W4790 13.731 19.688 -16.975 1.00 0.00 WT1 H
+ATOM 8235 OH2 TIP3W4791 5.794 11.019 -20.645 1.00 0.00 WT1 O
+ATOM 8236 H1 TIP3W4791 6.768 11.244 -20.518 1.00 0.00 WT1 H
+ATOM 8237 H2 TIP3W4791 5.400 11.774 -20.349 1.00 0.00 WT1 H
+ATOM 8238 OH2 TIP3W4792 7.352 29.297 -8.384 1.00 0.00 WT1 O
+ATOM 8239 H1 TIP3W4792 7.148 28.432 -7.977 1.00 0.00 WT1 H
+ATOM 8240 H2 TIP3W4792 8.029 29.681 -7.778 1.00 0.00 WT1 H
+ATOM 8241 OH2 TIP3W4793 9.816 19.799 -7.677 1.00 0.00 WT1 O
+ATOM 8242 H1 TIP3W4793 10.659 19.522 -8.030 1.00 0.00 WT1 H
+ATOM 8243 H2 TIP3W4793 9.395 20.153 -8.438 1.00 0.00 WT1 H
+ATOM 8244 OH2 TIP3W4794 -8.457 31.566 -6.792 1.00 0.00 WT1 O
+ATOM 8245 H1 TIP3W4794 -9.113 31.954 -6.180 1.00 0.00 WT1 H
+ATOM 8246 H2 TIP3W4794 -7.637 31.655 -6.274 1.00 0.00 WT1 H
+ATOM 8247 OH2 TIP3W4796 8.873 29.057 7.925 1.00 0.00 WT1 O
+ATOM 8248 H1 TIP3W4796 8.240 28.922 8.645 1.00 0.00 WT1 H
+ATOM 8249 H2 TIP3W4796 8.831 28.276 7.439 1.00 0.00 WT1 H
+ATOM 8250 OH2 TIP3W4797 3.498 -24.803 0.826 1.00 0.00 WT1 O
+ATOM 8251 H1 TIP3W4797 3.789 -24.148 0.206 1.00 0.00 WT1 H
+ATOM 8252 H2 TIP3W4797 4.280 -25.301 1.095 1.00 0.00 WT1 H
+ATOM 8253 OH2 TIP3W4798 -2.901 -31.545 -0.842 1.00 0.00 WT1 O
+ATOM 8254 H1 TIP3W4798 -2.325 -30.912 -0.457 1.00 0.00 WT1 H
+ATOM 8255 H2 TIP3W4798 -3.082 -31.108 -1.707 1.00 0.00 WT1 H
+ATOM 8256 OH2 TIP3W4800 14.229 -31.766 11.862 1.00 0.00 WT1 O
+ATOM 8257 H1 TIP3W4800 13.591 -31.162 11.481 1.00 0.00 WT1 H
+ATOM 8258 H2 TIP3W4800 14.668 -31.197 12.493 1.00 0.00 WT1 H
+ATOM 8259 OH2 TIP3W4801 4.368 -27.908 8.865 1.00 0.00 WT1 O
+ATOM 8260 H1 TIP3W4801 5.308 -28.086 8.629 1.00 0.00 WT1 H
+ATOM 8261 H2 TIP3W4801 4.544 -27.068 9.296 1.00 0.00 WT1 H
+ATOM 8262 OH2 TIP3W4803 7.726 19.762 23.182 1.00 0.00 WT1 O
+ATOM 8263 H1 TIP3W4803 7.053 19.140 23.019 1.00 0.00 WT1 H
+ATOM 8264 H2 TIP3W4803 8.546 19.259 22.990 1.00 0.00 WT1 H
+ATOM 8265 OH2 TIP3W4806 14.439 20.626 -19.992 1.00 0.00 WT1 O
+ATOM 8266 H1 TIP3W4806 14.945 21.249 -19.438 1.00 0.00 WT1 H
+ATOM 8267 H2 TIP3W4806 13.881 20.229 -19.298 1.00 0.00 WT1 H
+ATOM 8268 OH2 TIP3W4808 18.577 -26.970 -18.992 1.00 0.00 WT1 O
+ATOM 8269 H1 TIP3W4808 17.990 -26.988 -18.194 1.00 0.00 WT1 H
+ATOM 8270 H2 TIP3W4808 18.829 -27.970 -19.001 1.00 0.00 WT1 H
+ATOM 8271 OH2 TIP3W4809 -6.688 -29.114 -21.546 1.00 0.00 WT1 O
+ATOM 8272 H1 TIP3W4809 -6.749 -28.430 -20.835 1.00 0.00 WT1 H
+ATOM 8273 H2 TIP3W4809 -7.521 -29.611 -21.405 1.00 0.00 WT1 H
+ATOM 8274 OH2 TIP3W4811 16.150 30.491 -6.648 1.00 0.00 WT1 O
+ATOM 8275 H1 TIP3W4811 16.254 31.393 -6.374 1.00 0.00 WT1 H
+ATOM 8276 H2 TIP3W4811 16.418 30.488 -7.636 1.00 0.00 WT1 H
+ATOM 8277 OH2 TIP3W4813 -1.212 15.878 -11.057 1.00 0.00 WT1 O
+ATOM 8278 H1 TIP3W4813 -1.502 16.843 -11.159 1.00 0.00 WT1 H
+ATOM 8279 H2 TIP3W4813 -0.546 15.717 -11.675 1.00 0.00 WT1 H
+ATOM 8280 OH2 TIP3W4814 7.595 -28.324 -0.175 1.00 0.00 WT1 O
+ATOM 8281 H1 TIP3W4814 8.466 -28.310 0.290 1.00 0.00 WT1 H
+ATOM 8282 H2 TIP3W4814 7.124 -28.976 0.345 1.00 0.00 WT1 H
+ATOM 8283 OH2 TIP3W4815 4.356 -30.050 3.631 1.00 0.00 WT1 O
+ATOM 8284 H1 TIP3W4815 4.651 -30.050 4.500 1.00 0.00 WT1 H
+ATOM 8285 H2 TIP3W4815 3.867 -29.231 3.603 1.00 0.00 WT1 H
+ATOM 8286 OH2 TIP3W4816 -3.290 18.665 -7.229 1.00 0.00 WT1 O
+ATOM 8287 H1 TIP3W4816 -3.540 19.293 -7.905 1.00 0.00 WT1 H
+ATOM 8288 H2 TIP3W4816 -2.979 17.936 -7.714 1.00 0.00 WT1 H
+ATOM 8289 OH2 TIP3W4817 0.093 16.742 16.477 1.00 0.00 WT1 O
+ATOM 8290 H1 TIP3W4817 -0.209 16.022 15.961 1.00 0.00 WT1 H
+ATOM 8291 H2 TIP3W4817 -0.745 17.148 16.704 1.00 0.00 WT1 H
+ATOM 8292 OH2 TIP3W4818 12.530 19.918 14.835 1.00 0.00 WT1 O
+ATOM 8293 H1 TIP3W4818 12.278 19.341 15.624 1.00 0.00 WT1 H
+ATOM 8294 H2 TIP3W4818 13.097 20.590 15.231 1.00 0.00 WT1 H
+ATOM 8295 OH2 TIP3W4819 19.559 30.458 7.645 1.00 0.00 WT1 O
+ATOM 8296 H1 TIP3W4819 20.527 30.489 7.733 1.00 0.00 WT1 H
+ATOM 8297 H2 TIP3W4819 19.281 31.413 7.695 1.00 0.00 WT1 H
+ATOM 8298 OH2 TIP3W4820 12.315 -28.768 -0.216 1.00 0.00 WT1 O
+ATOM 8299 H1 TIP3W4820 12.001 -29.673 -0.316 1.00 0.00 WT1 H
+ATOM 8300 H2 TIP3W4820 11.616 -28.390 0.383 1.00 0.00 WT1 H
+ATOM 8301 OH2 TIP3W4821 5.119 -28.245 18.927 1.00 0.00 WT1 O
+ATOM 8302 H1 TIP3W4821 4.942 -29.029 18.397 1.00 0.00 WT1 H
+ATOM 8303 H2 TIP3W4821 5.641 -27.601 18.416 1.00 0.00 WT1 H
+ATOM 8304 OH2 TIP3W4822 11.480 -31.365 1.343 1.00 0.00 WT1 O
+ATOM 8305 H1 TIP3W4822 10.787 -31.771 0.908 1.00 0.00 WT1 H
+ATOM 8306 H2 TIP3W4822 11.083 -31.014 2.195 1.00 0.00 WT1 H
+ATOM 8307 OH2 TIP3W4824 13.008 25.339 14.895 1.00 0.00 WT1 O
+ATOM 8308 H1 TIP3W4824 13.959 25.131 14.818 1.00 0.00 WT1 H
+ATOM 8309 H2 TIP3W4824 12.649 25.451 13.980 1.00 0.00 WT1 H
+ATOM 8310 OH2 TIP3W4825 5.629 26.598 6.667 1.00 0.00 WT1 O
+ATOM 8311 H1 TIP3W4825 6.534 26.845 6.373 1.00 0.00 WT1 H
+ATOM 8312 H2 TIP3W4825 5.740 25.692 7.023 1.00 0.00 WT1 H
+ATOM 8313 OH2 TIP3W4832 13.690 31.214 -9.630 1.00 0.00 WT1 O
+ATOM 8314 H1 TIP3W4832 14.605 30.885 -9.751 1.00 0.00 WT1 H
+ATOM 8315 H2 TIP3W4832 13.103 30.719 -10.252 1.00 0.00 WT1 H
+ATOM 8316 OH2 TIP3W4833 14.980 27.864 -19.442 1.00 0.00 WT1 O
+ATOM 8317 H1 TIP3W4833 15.826 27.365 -19.590 1.00 0.00 WT1 H
+ATOM 8318 H2 TIP3W4833 14.710 28.225 -20.317 1.00 0.00 WT1 H
+ATOM 8319 OH2 TIP3W4834 11.752 -29.458 -22.284 1.00 0.00 WT1 O
+ATOM 8320 H1 TIP3W4834 12.475 -28.789 -22.385 1.00 0.00 WT1 H
+ATOM 8321 H2 TIP3W4834 11.054 -28.976 -22.046 1.00 0.00 WT1 H
+ATOM 8322 OH2 TIP3W4835 5.095 -29.940 -16.641 1.00 0.00 WT1 O
+ATOM 8323 H1 TIP3W4835 5.380 -30.677 -17.204 1.00 0.00 WT1 H
+ATOM 8324 H2 TIP3W4835 4.094 -29.995 -16.601 1.00 0.00 WT1 H
+ATOM 8325 OH2 TIP3W4836 17.092 -32.045 -19.705 1.00 0.00 WT1 O
+ATOM 8326 H1 TIP3W4836 16.330 -32.079 -20.310 1.00 0.00 WT1 H
+ATOM 8327 H2 TIP3W4836 16.838 -31.471 -18.962 1.00 0.00 WT1 H
+ATOM 8328 OH2 TIP3W4837 -1.614 -28.992 -0.611 1.00 0.00 WT1 O
+ATOM 8329 H1 TIP3W4837 -1.117 -28.897 0.228 1.00 0.00 WT1 H
+ATOM 8330 H2 TIP3W4837 -2.009 -28.169 -0.640 1.00 0.00 WT1 H
+ATOM 8331 OH2 TIP3W4838 7.546 28.401 3.824 1.00 0.00 WT1 O
+ATOM 8332 H1 TIP3W4838 8.419 28.806 4.002 1.00 0.00 WT1 H
+ATOM 8333 H2 TIP3W4838 7.757 27.498 3.777 1.00 0.00 WT1 H
+ATOM 8334 OH2 TIP3W4839 15.676 25.836 -11.878 1.00 0.00 WT1 O
+ATOM 8335 H1 TIP3W4839 15.880 25.049 -11.387 1.00 0.00 WT1 H
+ATOM 8336 H2 TIP3W4839 14.963 26.275 -11.382 1.00 0.00 WT1 H
+ATOM 8337 OH2 TIP3W4840 16.549 28.298 3.242 1.00 0.00 WT1 O
+ATOM 8338 H1 TIP3W4840 16.146 28.392 2.376 1.00 0.00 WT1 H
+ATOM 8339 H2 TIP3W4840 17.407 27.930 3.001 1.00 0.00 WT1 H
+ATOM 8340 OH2 TIP3W4842 11.733 22.580 13.163 1.00 0.00 WT1 O
+ATOM 8341 H1 TIP3W4842 11.215 23.330 13.142 1.00 0.00 WT1 H
+ATOM 8342 H2 TIP3W4842 11.668 22.281 14.074 1.00 0.00 WT1 H
+ATOM 8343 OH2 TIP3W4844 12.240 -31.097 9.986 1.00 0.00 WT1 O
+ATOM 8344 H1 TIP3W4844 11.432 -31.290 10.467 1.00 0.00 WT1 H
+ATOM 8345 H2 TIP3W4844 12.067 -31.444 9.083 1.00 0.00 WT1 H
+ATOM 8346 OH2 TIP3W4849 -6.078 -22.829 -15.513 1.00 0.00 WT1 O
+ATOM 8347 H1 TIP3W4849 -6.342 -23.369 -16.260 1.00 0.00 WT1 H
+ATOM 8348 H2 TIP3W4849 -5.282 -22.386 -15.678 1.00 0.00 WT1 H
+ATOM 8349 OH2 TIP3W4851 18.142 -10.899 -22.363 1.00 0.00 WT1 O
+ATOM 8350 H1 TIP3W4851 17.530 -10.287 -22.828 1.00 0.00 WT1 H
+ATOM 8351 H2 TIP3W4851 18.900 -10.291 -22.126 1.00 0.00 WT1 H
+ATOM 8352 OH2 TIP3W4852 6.502 29.888 -21.137 1.00 0.00 WT1 O
+ATOM 8353 H1 TIP3W4852 6.584 30.759 -21.466 1.00 0.00 WT1 H
+ATOM 8354 H2 TIP3W4852 7.363 29.655 -20.794 1.00 0.00 WT1 H
+ATOM 8355 OH2 TIP3W4853 9.399 -27.608 -21.890 1.00 0.00 WT1 O
+ATOM 8356 H1 TIP3W4853 9.167 -27.524 -20.923 1.00 0.00 WT1 H
+ATOM 8357 H2 TIP3W4853 8.491 -27.619 -22.345 1.00 0.00 WT1 H
+ATOM 8358 OH2 TIP3W4854 19.384 29.659 -7.002 1.00 0.00 WT1 O
+ATOM 8359 H1 TIP3W4854 20.081 29.435 -6.332 1.00 0.00 WT1 H
+ATOM 8360 H2 TIP3W4854 19.347 30.559 -6.976 1.00 0.00 WT1 H
+ATOM 8361 OH2 TIP3W4855 5.590 -17.975 -3.034 1.00 0.00 WT1 O
+ATOM 8362 H1 TIP3W4855 5.873 -18.900 -3.008 1.00 0.00 WT1 H
+ATOM 8363 H2 TIP3W4855 5.657 -17.725 -2.108 1.00 0.00 WT1 H
+ATOM 8364 OH2 TIP3W4857 -2.308 -19.873 -6.122 1.00 0.00 WT1 O
+ATOM 8365 H1 TIP3W4857 -2.671 -20.478 -6.797 1.00 0.00 WT1 H
+ATOM 8366 H2 TIP3W4857 -1.455 -20.355 -5.775 1.00 0.00 WT1 H
+ATOM 8367 OH2 TIP3W4859 8.983 23.505 -5.623 1.00 0.00 WT1 O
+ATOM 8368 H1 TIP3W4859 9.372 24.144 -6.261 1.00 0.00 WT1 H
+ATOM 8369 H2 TIP3W4859 8.954 23.978 -4.762 1.00 0.00 WT1 H
+ATOM 8370 OH2 TIP3W4860 18.822 21.627 0.402 1.00 0.00 WT1 O
+ATOM 8371 H1 TIP3W4860 18.036 22.085 0.664 1.00 0.00 WT1 H
+ATOM 8372 H2 TIP3W4860 19.182 21.460 1.295 1.00 0.00 WT1 H
+ATOM 8373 OH2 TIP3W4861 18.463 -27.550 6.765 1.00 0.00 WT1 O
+ATOM 8374 H1 TIP3W4861 19.034 -27.697 7.555 1.00 0.00 WT1 H
+ATOM 8375 H2 TIP3W4861 18.590 -26.611 6.619 1.00 0.00 WT1 H
+ATOM 8376 OH2 TIP3W4862 -1.295 28.010 6.576 1.00 0.00 WT1 O
+ATOM 8377 H1 TIP3W4862 -0.359 28.001 6.260 1.00 0.00 WT1 H
+ATOM 8378 H2 TIP3W4862 -1.787 28.225 5.793 1.00 0.00 WT1 H
+ATOM 8379 OH2 TIP3W4864 11.151 -11.849 19.224 1.00 0.00 WT1 O
+ATOM 8380 H1 TIP3W4864 11.289 -12.595 18.603 1.00 0.00 WT1 H
+ATOM 8381 H2 TIP3W4864 11.028 -12.378 20.029 1.00 0.00 WT1 H
+ATOM 8382 OH2 TIP3W4865 15.850 27.689 20.448 1.00 0.00 WT1 O
+ATOM 8383 H1 TIP3W4865 15.635 28.631 20.209 1.00 0.00 WT1 H
+ATOM 8384 H2 TIP3W4865 16.263 27.803 21.350 1.00 0.00 WT1 H
+ATOM 8385 OH2 TIP3W4866 6.426 -30.510 10.462 1.00 0.00 WT1 O
+ATOM 8386 H1 TIP3W4866 7.316 -30.241 10.692 1.00 0.00 WT1 H
+ATOM 8387 H2 TIP3W4866 5.950 -29.721 10.627 1.00 0.00 WT1 H
+ATOM 8388 OH2 TIP3W4867 7.144 29.765 20.055 1.00 0.00 WT1 O
+ATOM 8389 H1 TIP3W4867 7.422 29.995 20.930 1.00 0.00 WT1 H
+ATOM 8390 H2 TIP3W4867 6.498 30.496 19.803 1.00 0.00 WT1 H
+ATOM 8391 OH2 TIP3W4872 15.880 -9.385 -22.834 1.00 0.00 WT1 O
+ATOM 8392 H1 TIP3W4872 15.363 -8.558 -22.881 1.00 0.00 WT1 H
+ATOM 8393 H2 TIP3W4872 15.273 -9.885 -22.318 1.00 0.00 WT1 H
+ATOM 8394 OH2 TIP3W4875 9.666 -29.286 -17.464 1.00 0.00 WT1 O
+ATOM 8395 H1 TIP3W4875 9.766 -29.543 -16.548 1.00 0.00 WT1 H
+ATOM 8396 H2 TIP3W4875 10.183 -29.988 -17.919 1.00 0.00 WT1 H
+ATOM 8397 OH2 TIP3W4878 13.604 28.838 3.595 1.00 0.00 WT1 O
+ATOM 8398 H1 TIP3W4878 13.454 29.045 2.666 1.00 0.00 WT1 H
+ATOM 8399 H2 TIP3W4878 14.566 28.662 3.652 1.00 0.00 WT1 H
+ATOM 8400 OH2 TIP3W4879 5.435 23.272 -3.340 1.00 0.00 WT1 O
+ATOM 8401 H1 TIP3W4879 6.020 22.734 -2.959 1.00 0.00 WT1 H
+ATOM 8402 H2 TIP3W4879 5.649 24.098 -2.950 1.00 0.00 WT1 H
+ATOM 8403 OH2 TIP3W4880 12.578 -27.964 3.036 1.00 0.00 WT1 O
+ATOM 8404 H1 TIP3W4880 12.842 -27.771 2.121 1.00 0.00 WT1 H
+ATOM 8405 H2 TIP3W4880 12.670 -28.923 3.094 1.00 0.00 WT1 H
+ATOM 8406 OH2 TIP3W4881 4.322 -16.136 15.594 1.00 0.00 WT1 O
+ATOM 8407 H1 TIP3W4881 4.975 -16.608 16.156 1.00 0.00 WT1 H
+ATOM 8408 H2 TIP3W4881 4.530 -16.539 14.716 1.00 0.00 WT1 H
+ATOM 8409 OH2 TIP3W4882 14.065 -22.893 18.594 1.00 0.00 WT1 O
+ATOM 8410 H1 TIP3W4882 14.588 -22.203 18.217 1.00 0.00 WT1 H
+ATOM 8411 H2 TIP3W4882 13.251 -22.830 18.033 1.00 0.00 WT1 H
+ATOM 8412 OH2 TIP3W4883 17.934 27.717 17.240 1.00 0.00 WT1 O
+ATOM 8413 H1 TIP3W4883 18.871 27.715 17.625 1.00 0.00 WT1 H
+ATOM 8414 H2 TIP3W4883 18.010 26.988 16.562 1.00 0.00 WT1 H
+ATOM 8415 OH2 TIP3W4884 20.845 -26.520 9.789 1.00 0.00 WT1 O
+ATOM 8416 H1 TIP3W4884 20.550 -27.312 9.229 1.00 0.00 WT1 H
+ATOM 8417 H2 TIP3W4884 20.025 -26.370 10.358 1.00 0.00 WT1 H
+ATOM 8418 OH2 TIP3W4885 13.344 28.461 21.301 1.00 0.00 WT1 O
+ATOM 8419 H1 TIP3W4885 12.569 28.807 20.889 1.00 0.00 WT1 H
+ATOM 8420 H2 TIP3W4885 14.116 28.731 20.692 1.00 0.00 WT1 H
+ATOM 8421 OH2 TIP3W4887 0.994 -29.013 13.656 1.00 0.00 WT1 O
+ATOM 8422 H1 TIP3W4887 1.856 -29.412 13.762 1.00 0.00 WT1 H
+ATOM 8423 H2 TIP3W4887 0.490 -29.716 13.145 1.00 0.00 WT1 H
+ATOM 8424 OH2 TIP3W4890 17.382 14.577 -21.732 1.00 0.00 WT1 O
+ATOM 8425 H1 TIP3W4890 16.435 14.603 -21.607 1.00 0.00 WT1 H
+ATOM 8426 H2 TIP3W4890 17.601 15.441 -22.074 1.00 0.00 WT1 H
+ATOM 8427 OH2 TIP3W4893 16.477 -18.310 -12.675 1.00 0.00 WT1 O
+ATOM 8428 H1 TIP3W4893 15.770 -17.946 -13.233 1.00 0.00 WT1 H
+ATOM 8429 H2 TIP3W4893 16.288 -17.982 -11.778 1.00 0.00 WT1 H
+ATOM 8430 OH2 TIP3W4896 14.955 -25.403 -5.824 1.00 0.00 WT1 O
+ATOM 8431 H1 TIP3W4896 14.881 -26.407 -5.764 1.00 0.00 WT1 H
+ATOM 8432 H2 TIP3W4896 14.131 -25.223 -6.288 1.00 0.00 WT1 H
+ATOM 8433 OH2 TIP3W4897 12.122 -22.547 -15.454 1.00 0.00 WT1 O
+ATOM 8434 H1 TIP3W4897 11.830 -23.440 -15.371 1.00 0.00 WT1 H
+ATOM 8435 H2 TIP3W4897 11.602 -22.242 -16.193 1.00 0.00 WT1 H
+ATOM 8436 OH2 TIP3W4899 4.398 -25.406 -6.614 1.00 0.00 WT1 O
+ATOM 8437 H1 TIP3W4899 5.116 -26.070 -6.436 1.00 0.00 WT1 H
+ATOM 8438 H2 TIP3W4899 3.868 -25.359 -5.790 1.00 0.00 WT1 H
+ATOM 8439 OH2 TIP3W4900 3.334 23.760 5.195 1.00 0.00 WT1 O
+ATOM 8440 H1 TIP3W4900 4.052 23.335 5.705 1.00 0.00 WT1 H
+ATOM 8441 H2 TIP3W4900 3.608 23.598 4.251 1.00 0.00 WT1 H
+ATOM 8442 OH2 TIP3W4901 -3.247 -29.790 18.913 1.00 0.00 WT1 O
+ATOM 8443 H1 TIP3W4901 -2.827 -29.405 18.142 1.00 0.00 WT1 H
+ATOM 8444 H2 TIP3W4901 -2.537 -29.753 19.530 1.00 0.00 WT1 H
+ATOM 8445 OH2 TIP3W4902 13.174 -13.454 8.892 1.00 0.00 WT1 O
+ATOM 8446 H1 TIP3W4902 12.823 -13.496 9.773 1.00 0.00 WT1 H
+ATOM 8447 H2 TIP3W4902 13.487 -14.317 8.760 1.00 0.00 WT1 H
+ATOM 8448 OH2 TIP3W4903 8.339 -24.478 9.975 1.00 0.00 WT1 O
+ATOM 8449 H1 TIP3W4903 9.248 -24.432 9.495 1.00 0.00 WT1 H
+ATOM 8450 H2 TIP3W4903 8.306 -25.440 10.195 1.00 0.00 WT1 H
+ATOM 8451 OH2 TIP3W4904 2.733 30.293 -13.058 1.00 0.00 WT1 O
+ATOM 8452 H1 TIP3W4904 2.732 30.977 -12.369 1.00 0.00 WT1 H
+ATOM 8453 H2 TIP3W4904 3.376 29.697 -12.734 1.00 0.00 WT1 H
+ATOM 8454 OH2 TIP3W4905 1.901 -15.048 16.708 1.00 0.00 WT1 O
+ATOM 8455 H1 TIP3W4905 2.748 -15.376 16.299 1.00 0.00 WT1 H
+ATOM 8456 H2 TIP3W4905 2.133 -14.164 17.044 1.00 0.00 WT1 H
+ATOM 8457 OH2 TIP3W4908 8.720 -21.918 13.837 1.00 0.00 WT1 O
+ATOM 8458 H1 TIP3W4908 9.113 -22.531 14.462 1.00 0.00 WT1 H
+ATOM 8459 H2 TIP3W4908 9.162 -22.214 13.006 1.00 0.00 WT1 H
+ATOM 8460 OH2 TIP3W4911 14.682 -27.553 19.715 1.00 0.00 WT1 O
+ATOM 8461 H1 TIP3W4911 15.339 -27.493 20.365 1.00 0.00 WT1 H
+ATOM 8462 H2 TIP3W4911 14.713 -26.699 19.287 1.00 0.00 WT1 H
+ATOM 8463 OH2 TIP3W4914 18.290 -23.087 -20.345 1.00 0.00 WT1 O
+ATOM 8464 H1 TIP3W4914 18.322 -23.137 -21.289 1.00 0.00 WT1 H
+ATOM 8465 H2 TIP3W4914 17.425 -22.827 -20.136 1.00 0.00 WT1 H
+ATOM 8466 OH2 TIP3W4915 10.566 -30.439 -14.918 1.00 0.00 WT1 O
+ATOM 8467 H1 TIP3W4915 10.103 -31.173 -15.297 1.00 0.00 WT1 H
+ATOM 8468 H2 TIP3W4915 11.218 -30.848 -14.285 1.00 0.00 WT1 H
+ATOM 8469 OH2 TIP3W4916 5.224 -18.497 -19.011 1.00 0.00 WT1 O
+ATOM 8470 H1 TIP3W4916 4.276 -18.731 -19.136 1.00 0.00 WT1 H
+ATOM 8471 H2 TIP3W4916 5.245 -17.768 -18.389 1.00 0.00 WT1 H
+ATOM 8472 OH2 TIP3W4918 16.509 30.852 -9.744 1.00 0.00 WT1 O
+ATOM 8473 H1 TIP3W4918 16.812 31.533 -10.353 1.00 0.00 WT1 H
+ATOM 8474 H2 TIP3W4918 17.062 30.109 -9.971 1.00 0.00 WT1 H
+ATOM 8475 OH2 TIP3W4919 21.696 -16.446 -5.388 1.00 0.00 WT1 O
+ATOM 8476 H1 TIP3W4919 21.733 -15.568 -5.677 1.00 0.00 WT1 H
+ATOM 8477 H2 TIP3W4919 21.205 -16.387 -4.567 1.00 0.00 WT1 H
+ATOM 8478 OH2 TIP3W4920 13.198 -3.570 8.132 1.00 0.00 WT1 O
+ATOM 8479 H1 TIP3W4920 13.294 -3.594 9.136 1.00 0.00 WT1 H
+ATOM 8480 H2 TIP3W4920 14.126 -3.602 7.884 1.00 0.00 WT1 H
+ATOM 8481 OH2 TIP3W4922 6.547 -16.161 -10.309 1.00 0.00 WT1 O
+ATOM 8482 H1 TIP3W4922 7.411 -15.981 -9.940 1.00 0.00 WT1 H
+ATOM 8483 H2 TIP3W4922 5.972 -15.588 -9.839 1.00 0.00 WT1 H
+ATOM 8484 OH2 TIP3W4923 6.893 31.395 -0.265 1.00 0.00 WT1 O
+ATOM 8485 H1 TIP3W4923 7.483 32.132 -0.079 1.00 0.00 WT1 H
+ATOM 8486 H2 TIP3W4923 7.375 30.667 0.109 1.00 0.00 WT1 H
+ATOM 8487 OH2 TIP3W4924 11.501 -29.215 -7.808 1.00 0.00 WT1 O
+ATOM 8488 H1 TIP3W4924 11.976 -29.271 -8.640 1.00 0.00 WT1 H
+ATOM 8489 H2 TIP3W4924 10.545 -29.221 -8.173 1.00 0.00 WT1 H
+ATOM 8490 OH2 TIP3W4925 12.835 -18.933 18.182 1.00 0.00 WT1 O
+ATOM 8491 H1 TIP3W4925 13.620 -18.664 18.646 1.00 0.00 WT1 H
+ATOM 8492 H2 TIP3W4925 12.510 -19.563 18.831 1.00 0.00 WT1 H
+ATOM 8493 OH2 TIP3W4926 16.760 -18.435 7.951 1.00 0.00 WT1 O
+ATOM 8494 H1 TIP3W4926 16.649 -18.007 7.085 1.00 0.00 WT1 H
+ATOM 8495 H2 TIP3W4926 17.751 -18.770 7.895 1.00 0.00 WT1 H
+ATOM 8496 OH2 TIP3W4927 9.546 -27.644 13.594 1.00 0.00 WT1 O
+ATOM 8497 H1 TIP3W4927 9.877 -28.023 14.421 1.00 0.00 WT1 H
+ATOM 8498 H2 TIP3W4927 10.265 -27.086 13.269 1.00 0.00 WT1 H
+ATOM 8499 OH2 TIP3W4930 2.404 29.265 9.906 1.00 0.00 WT1 O
+ATOM 8500 H1 TIP3W4930 2.919 29.656 9.202 1.00 0.00 WT1 H
+ATOM 8501 H2 TIP3W4930 1.798 28.763 9.408 1.00 0.00 WT1 H
+ATOM 8502 OH2 TIP3W4933 3.403 -12.409 20.054 1.00 0.00 WT1 O
+ATOM 8503 H1 TIP3W4933 2.534 -12.892 19.798 1.00 0.00 WT1 H
+ATOM 8504 H2 TIP3W4933 4.001 -13.097 20.381 1.00 0.00 WT1 H
+ATOM 8505 OH2 TIP3W4936 13.896 -15.210 -14.761 1.00 0.00 WT1 O
+ATOM 8506 H1 TIP3W4936 13.420 -15.975 -15.099 1.00 0.00 WT1 H
+ATOM 8507 H2 TIP3W4936 14.831 -15.381 -15.047 1.00 0.00 WT1 H
+ATOM 8508 OH2 TIP3W4937 3.299 -29.191 -19.992 1.00 0.00 WT1 O
+ATOM 8509 H1 TIP3W4937 2.633 -29.778 -19.525 1.00 0.00 WT1 H
+ATOM 8510 H2 TIP3W4937 3.782 -28.778 -19.279 1.00 0.00 WT1 H
+ATOM 8511 OH2 TIP3W4941 5.704 -25.751 4.674 1.00 0.00 WT1 O
+ATOM 8512 H1 TIP3W4941 6.319 -26.442 4.381 1.00 0.00 WT1 H
+ATOM 8513 H2 TIP3W4941 5.964 -25.015 4.074 1.00 0.00 WT1 H
+ATOM 8514 OH2 TIP3W4942 12.408 -25.145 -10.174 1.00 0.00 WT1 O
+ATOM 8515 H1 TIP3W4942 12.261 -26.079 -10.182 1.00 0.00 WT1 H
+ATOM 8516 H2 TIP3W4942 11.611 -24.732 -9.821 1.00 0.00 WT1 H
+ATOM 8517 OH2 TIP3W4945 5.518 -16.727 8.508 1.00 0.00 WT1 O
+ATOM 8518 H1 TIP3W4945 5.795 -17.639 8.605 1.00 0.00 WT1 H
+ATOM 8519 H2 TIP3W4945 6.032 -16.227 9.103 1.00 0.00 WT1 H
+ATOM 8520 OH2 TIP3W4946 7.421 -7.507 3.289 1.00 0.00 WT1 O
+ATOM 8521 H1 TIP3W4946 7.207 -7.041 4.119 1.00 0.00 WT1 H
+ATOM 8522 H2 TIP3W4946 6.612 -7.317 2.751 1.00 0.00 WT1 H
+ATOM 8523 OH2 TIP3W4947 18.984 -32.326 8.981 1.00 0.00 WT1 O
+ATOM 8524 H1 TIP3W4947 17.996 -32.370 9.133 1.00 0.00 WT1 H
+ATOM 8525 H2 TIP3W4947 19.305 -32.348 9.843 1.00 0.00 WT1 H
+ATOM 8526 OH2 TIP3W4951 6.828 -23.894 21.411 1.00 0.00 WT1 O
+ATOM 8527 H1 TIP3W4951 7.714 -23.743 21.393 1.00 0.00 WT1 H
+ATOM 8528 H2 TIP3W4951 6.604 -24.082 20.483 1.00 0.00 WT1 H
+ATOM 8529 OH2 TIP3W4957 15.340 -20.180 -15.183 1.00 0.00 WT1 O
+ATOM 8530 H1 TIP3W4957 14.958 -19.921 -14.354 1.00 0.00 WT1 H
+ATOM 8531 H2 TIP3W4957 15.194 -21.150 -15.256 1.00 0.00 WT1 H
+ATOM 8532 OH2 TIP3W4961 2.499 -19.016 8.419 1.00 0.00 WT1 O
+ATOM 8533 H1 TIP3W4961 3.287 -19.061 9.067 1.00 0.00 WT1 H
+ATOM 8534 H2 TIP3W4961 2.045 -18.192 8.663 1.00 0.00 WT1 H
+ATOM 8535 OH2 TIP3W4963 4.711 -20.519 -5.483 1.00 0.00 WT1 O
+ATOM 8536 H1 TIP3W4963 3.879 -19.977 -5.176 1.00 0.00 WT1 H
+ATOM 8537 H2 TIP3W4963 5.384 -19.809 -5.498 1.00 0.00 WT1 H
+ATOM 8538 OH2 TIP3W4964 17.725 -19.499 3.207 1.00 0.00 WT1 O
+ATOM 8539 H1 TIP3W4964 18.492 -20.076 3.058 1.00 0.00 WT1 H
+ATOM 8540 H2 TIP3W4964 17.936 -19.037 4.071 1.00 0.00 WT1 H
+ATOM 8541 OH2 TIP3W4965 16.703 -9.616 -7.099 1.00 0.00 WT1 O
+ATOM 8542 H1 TIP3W4965 17.363 -9.024 -7.574 1.00 0.00 WT1 H
+ATOM 8543 H2 TIP3W4965 16.203 -10.003 -7.825 1.00 0.00 WT1 H
+ATOM 8544 OH2 TIP3W4966 15.857 -20.442 10.794 1.00 0.00 WT1 O
+ATOM 8545 H1 TIP3W4966 16.735 -20.008 11.017 1.00 0.00 WT1 H
+ATOM 8546 H2 TIP3W4966 15.800 -21.055 11.550 1.00 0.00 WT1 H
+ATOM 8547 OH2 TIP3W4971 -16.749 -10.845 18.627 1.00 0.00 WT1 O
+ATOM 8548 H1 TIP3W4971 -17.324 -10.681 19.342 1.00 0.00 WT1 H
+ATOM 8549 H2 TIP3W4971 -16.272 -10.002 18.433 1.00 0.00 WT1 H
+ATOM 8550 OH2 TIP3W4979 11.403 -2.327 -0.971 1.00 0.00 WT1 O
+ATOM 8551 H1 TIP3W4979 10.734 -1.657 -0.760 1.00 0.00 WT1 H
+ATOM 8552 H2 TIP3W4979 11.222 -3.092 -0.409 1.00 0.00 WT1 H
+ATOM 8553 OH2 TIP3W4980 9.782 -23.637 -22.254 1.00 0.00 WT1 O
+ATOM 8554 H1 TIP3W4980 8.908 -23.378 -22.056 1.00 0.00 WT1 H
+ATOM 8555 H2 TIP3W4980 9.720 -24.314 -23.008 1.00 0.00 WT1 H
+ATOM 8556 OH2 TIP3W4981 -1.593 -15.870 -7.353 1.00 0.00 WT1 O
+ATOM 8557 H1 TIP3W4981 -1.944 -16.770 -7.638 1.00 0.00 WT1 H
+ATOM 8558 H2 TIP3W4981 -2.172 -15.275 -7.885 1.00 0.00 WT1 H
+ATOM 8559 OH2 TIP3W4982 8.203 -8.250 -10.945 1.00 0.00 WT1 O
+ATOM 8560 H1 TIP3W4982 8.174 -7.624 -10.180 1.00 0.00 WT1 H
+ATOM 8561 H2 TIP3W4982 8.886 -8.833 -10.609 1.00 0.00 WT1 H
+ATOM 8562 OH2 TIP3W4983 5.741 -15.557 -4.178 1.00 0.00 WT1 O
+ATOM 8563 H1 TIP3W4983 5.596 -16.385 -3.581 1.00 0.00 WT1 H
+ATOM 8564 H2 TIP3W4983 6.136 -14.916 -3.606 1.00 0.00 WT1 H
+ATOM 8565 OH2 TIP3W4985 20.930 -13.993 -0.857 1.00 0.00 WT1 O
+ATOM 8566 H1 TIP3W4985 21.132 -13.078 -1.074 1.00 0.00 WT1 H
+ATOM 8567 H2 TIP3W4985 21.397 -14.459 -1.527 1.00 0.00 WT1 H
+ATOM 8568 OH2 TIP3W4986 6.802 -19.188 9.050 1.00 0.00 WT1 O
+ATOM 8569 H1 TIP3W4986 7.759 -19.115 9.239 1.00 0.00 WT1 H
+ATOM 8570 H2 TIP3W4986 6.703 -20.086 8.771 1.00 0.00 WT1 H
+ATOM 8571 OH2 TIP3W4987 5.117 -3.839 17.769 1.00 0.00 WT1 O
+ATOM 8572 H1 TIP3W4987 4.176 -4.088 17.642 1.00 0.00 WT1 H
+ATOM 8573 H2 TIP3W4987 5.427 -3.894 16.845 1.00 0.00 WT1 H
+ATOM 8574 OH2 TIP3W4988 15.581 -20.672 4.523 1.00 0.00 WT1 O
+ATOM 8575 H1 TIP3W4988 14.995 -19.957 4.279 1.00 0.00 WT1 H
+ATOM 8576 H2 TIP3W4988 16.325 -20.596 3.930 1.00 0.00 WT1 H
+ATOM 8577 OH2 TIP3W4989 19.564 -3.643 20.598 1.00 0.00 WT1 O
+ATOM 8578 H1 TIP3W4989 20.243 -4.164 20.059 1.00 0.00 WT1 H
+ATOM 8579 H2 TIP3W4989 19.830 -3.681 21.471 1.00 0.00 WT1 H
+ATOM 8580 OH2 TIP3W4991 14.519 -20.128 21.543 1.00 0.00 WT1 O
+ATOM 8581 H1 TIP3W4991 13.752 -19.753 22.026 1.00 0.00 WT1 H
+ATOM 8582 H2 TIP3W4991 14.996 -19.295 21.225 1.00 0.00 WT1 H
+ATOM 8583 OH2 TIP3W4993 14.490 -20.178 8.042 1.00 0.00 WT1 O
+ATOM 8584 H1 TIP3W4993 14.066 -19.635 7.364 1.00 0.00 WT1 H
+ATOM 8585 H2 TIP3W4993 15.289 -19.803 8.331 1.00 0.00 WT1 H
+ATOM 8586 OH2 TIP3W4995 16.862 -28.237 21.831 1.00 0.00 WT1 O
+ATOM 8587 H1 TIP3W4995 17.290 -28.989 22.263 1.00 0.00 WT1 H
+ATOM 8588 H2 TIP3W4995 16.517 -27.673 22.575 1.00 0.00 WT1 H
+ATOM 8589 OH2 TIP3W4996 20.823 -20.239 -20.708 1.00 0.00 WT1 O
+ATOM 8590 H1 TIP3W4996 20.093 -20.496 -21.200 1.00 0.00 WT1 H
+ATOM 8591 H2 TIP3W4996 21.338 -21.102 -20.494 1.00 0.00 WT1 H
+ATOM 8592 OH2 TIP3W4998 16.363 -2.688 -22.270 1.00 0.00 WT1 O
+ATOM 8593 H1 TIP3W4998 16.891 -3.117 -22.977 1.00 0.00 WT1 H
+ATOM 8594 H2 TIP3W4998 17.113 -2.359 -21.582 1.00 0.00 WT1 H
+ATOM 8595 OH2 TIP3W4999 5.140 -7.216 -6.795 1.00 0.00 WT1 O
+ATOM 8596 H1 TIP3W4999 5.592 -7.109 -5.912 1.00 0.00 WT1 H
+ATOM 8597 H2 TIP3W4999 5.708 -7.828 -7.273 1.00 0.00 WT1 H
+ATOM 8598 OH2 TIP3W5000 13.242 -6.505 -6.234 1.00 0.00 WT1 O
+ATOM 8599 H1 TIP3W5000 14.116 -6.832 -6.029 1.00 0.00 WT1 H
+ATOM 8600 H2 TIP3W5000 13.041 -6.878 -7.185 1.00 0.00 WT1 H
+ATOM 8601 OH2 TIP3W5001 9.758 -10.493 -7.828 1.00 0.00 WT1 O
+ATOM 8602 H1 TIP3W5001 10.433 -10.074 -7.336 1.00 0.00 WT1 H
+ATOM 8603 H2 TIP3W5001 9.966 -10.287 -8.741 1.00 0.00 WT1 H
+ATOM 8604 OH2 TIP3W5002 19.332 -9.068 -13.413 1.00 0.00 WT1 O
+ATOM 8605 H1 TIP3W5002 18.776 -9.395 -14.134 1.00 0.00 WT1 H
+ATOM 8606 H2 TIP3W5002 19.411 -8.074 -13.660 1.00 0.00 WT1 H
+ATOM 8607 OH2 TIP3W5003 15.298 -10.286 4.002 1.00 0.00 WT1 O
+ATOM 8608 H1 TIP3W5003 14.452 -10.104 4.445 1.00 0.00 WT1 H
+ATOM 8609 H2 TIP3W5003 15.750 -9.403 4.052 1.00 0.00 WT1 H
+ATOM 8610 OH2 TIP3W5005 10.665 -13.190 -9.471 1.00 0.00 WT1 O
+ATOM 8611 H1 TIP3W5005 11.446 -13.814 -9.638 1.00 0.00 WT1 H
+ATOM 8612 H2 TIP3W5005 11.100 -12.315 -9.448 1.00 0.00 WT1 H
+ATOM 8613 OH2 TIP3W5007 13.061 -20.611 1.744 1.00 0.00 WT1 O
+ATOM 8614 H1 TIP3W5007 13.809 -20.126 1.498 1.00 0.00 WT1 H
+ATOM 8615 H2 TIP3W5007 12.607 -19.924 2.362 1.00 0.00 WT1 H
+ATOM 8616 OH2 TIP3W5009 5.749 -16.928 -0.441 1.00 0.00 WT1 O
+ATOM 8617 H1 TIP3W5009 6.321 -16.370 0.035 1.00 0.00 WT1 H
+ATOM 8618 H2 TIP3W5009 6.084 -17.817 -0.300 1.00 0.00 WT1 H
+ATOM 8619 OH2 TIP3W5010 19.611 -14.827 10.914 1.00 0.00 WT1 O
+ATOM 8620 H1 TIP3W5010 20.294 -15.395 10.542 1.00 0.00 WT1 H
+ATOM 8621 H2 TIP3W5010 19.194 -14.396 10.135 1.00 0.00 WT1 H
+ATOM 8622 OH2 TIP3W5012 7.715 -4.309 19.499 1.00 0.00 WT1 O
+ATOM 8623 H1 TIP3W5012 6.841 -4.470 19.087 1.00 0.00 WT1 H
+ATOM 8624 H2 TIP3W5012 8.047 -3.574 18.972 1.00 0.00 WT1 H
+ATOM 8625 OH2 TIP3W5013 -3.750 -14.359 17.915 1.00 0.00 WT1 O
+ATOM 8626 H1 TIP3W5013 -2.932 -13.999 17.688 1.00 0.00 WT1 H
+ATOM 8627 H2 TIP3W5013 -3.630 -14.693 18.869 1.00 0.00 WT1 H
+ATOM 8628 OH2 TIP3W5021 12.784 -1.102 -14.162 1.00 0.00 WT1 O
+ATOM 8629 H1 TIP3W5021 12.833 -2.067 -14.284 1.00 0.00 WT1 H
+ATOM 8630 H2 TIP3W5021 11.895 -0.989 -13.823 1.00 0.00 WT1 H
+ATOM 8631 OH2 TIP3W5023 11.131 -2.996 -16.143 1.00 0.00 WT1 O
+ATOM 8632 H1 TIP3W5023 10.585 -2.521 -16.792 1.00 0.00 WT1 H
+ATOM 8633 H2 TIP3W5023 11.929 -3.118 -16.679 1.00 0.00 WT1 H
+ATOM 8634 OH2 TIP3W5024 11.006 -3.482 12.173 1.00 0.00 WT1 O
+ATOM 8635 H1 TIP3W5024 11.102 -3.375 13.103 1.00 0.00 WT1 H
+ATOM 8636 H2 TIP3W5024 11.316 -4.371 11.954 1.00 0.00 WT1 H
+ATOM 8637 OH2 TIP3W5026 20.803 3.813 5.666 1.00 0.00 WT1 O
+ATOM 8638 H1 TIP3W5026 20.277 4.377 5.100 1.00 0.00 WT1 H
+ATOM 8639 H2 TIP3W5026 21.088 4.426 6.364 1.00 0.00 WT1 H
+ATOM 8640 OH2 TIP3W5027 12.231 -4.368 5.321 1.00 0.00 WT1 O
+ATOM 8641 H1 TIP3W5027 12.111 -3.439 5.047 1.00 0.00 WT1 H
+ATOM 8642 H2 TIP3W5027 12.780 -4.298 6.118 1.00 0.00 WT1 H
+ATOM 8643 OH2 TIP3W5028 6.761 1.472 14.155 1.00 0.00 WT1 O
+ATOM 8644 H1 TIP3W5028 6.494 2.251 14.584 1.00 0.00 WT1 H
+ATOM 8645 H2 TIP3W5028 7.243 1.861 13.404 1.00 0.00 WT1 H
+ATOM 8646 OH2 TIP3W5029 10.816 -0.176 14.553 1.00 0.00 WT1 O
+ATOM 8647 H1 TIP3W5029 11.680 0.200 14.811 1.00 0.00 WT1 H
+ATOM 8648 H2 TIP3W5029 10.953 -0.208 13.561 1.00 0.00 WT1 H
+ATOM 8649 OH2 TIP3W5030 15.057 -0.865 18.137 1.00 0.00 WT1 O
+ATOM 8650 H1 TIP3W5030 15.339 -1.689 18.567 1.00 0.00 WT1 H
+ATOM 8651 H2 TIP3W5030 14.743 -0.416 18.961 1.00 0.00 WT1 H
+ATOM 8652 OH2 TIP3W5042 17.789 5.679 6.923 1.00 0.00 WT1 O
+ATOM 8653 H1 TIP3W5042 16.973 5.099 6.832 1.00 0.00 WT1 H
+ATOM 8654 H2 TIP3W5042 18.227 5.287 7.694 1.00 0.00 WT1 H
+ATOM 8655 OH2 TIP3W5043 6.133 -1.501 -11.673 1.00 0.00 WT1 O
+ATOM 8656 H1 TIP3W5043 5.809 -1.220 -10.782 1.00 0.00 WT1 H
+ATOM 8657 H2 TIP3W5043 7.004 -1.127 -11.820 1.00 0.00 WT1 H
+ATOM 8658 OH2 TIP3W5044 8.822 -5.122 -13.534 1.00 0.00 WT1 O
+ATOM 8659 H1 TIP3W5044 9.322 -5.662 -13.003 1.00 0.00 WT1 H
+ATOM 8660 H2 TIP3W5044 8.045 -4.769 -13.023 1.00 0.00 WT1 H
+ATOM 8661 OH2 TIP3W5047 16.641 -9.685 14.119 1.00 0.00 WT1 O
+ATOM 8662 H1 TIP3W5047 16.134 -10.518 14.441 1.00 0.00 WT1 H
+ATOM 8663 H2 TIP3W5047 16.345 -8.969 14.746 1.00 0.00 WT1 H
+ATOM 8664 OH2 TIP3W5048 13.469 -9.295 16.216 1.00 0.00 WT1 O
+ATOM 8665 H1 TIP3W5048 13.029 -9.127 15.391 1.00 0.00 WT1 H
+ATOM 8666 H2 TIP3W5048 14.415 -9.034 16.097 1.00 0.00 WT1 H
+ATOM 8667 OH2 TIP3W5049 13.465 -1.004 -6.618 1.00 0.00 WT1 O
+ATOM 8668 H1 TIP3W5049 13.687 -0.991 -7.543 1.00 0.00 WT1 H
+ATOM 8669 H2 TIP3W5049 13.509 -1.943 -6.418 1.00 0.00 WT1 H
+ATOM 8670 OH2 TIP3W5050 20.476 1.505 7.553 1.00 0.00 WT1 O
+ATOM 8671 H1 TIP3W5050 19.502 1.514 7.593 1.00 0.00 WT1 H
+ATOM 8672 H2 TIP3W5050 20.701 2.163 6.908 1.00 0.00 WT1 H
+ATOM 8673 OH2 TIP3W5053 13.651 10.779 12.777 1.00 0.00 WT1 O
+ATOM 8674 H1 TIP3W5053 14.021 10.630 13.691 1.00 0.00 WT1 H
+ATOM 8675 H2 TIP3W5053 12.665 10.676 12.899 1.00 0.00 WT1 H
+ATOM 8676 OH2 TIP3W5055 2.809 12.694 6.799 1.00 0.00 WT1 O
+ATOM 8677 H1 TIP3W5055 3.574 12.766 7.391 1.00 0.00 WT1 H
+ATOM 8678 H2 TIP3W5055 2.164 12.295 7.405 1.00 0.00 WT1 H
+ATOM 8679 OH2 TIP3W5056 15.818 -8.495 18.679 1.00 0.00 WT1 O
+ATOM 8680 H1 TIP3W5056 16.157 -8.965 19.437 1.00 0.00 WT1 H
+ATOM 8681 H2 TIP3W5056 15.160 -7.866 19.046 1.00 0.00 WT1 H
+ATOM 8682 OH2 TIP3W5060 19.262 -8.000 -16.609 1.00 0.00 WT1 O
+ATOM 8683 H1 TIP3W5060 18.738 -8.821 -16.666 1.00 0.00 WT1 H
+ATOM 8684 H2 TIP3W5060 18.612 -7.311 -16.310 1.00 0.00 WT1 H
+ATOM 8685 OH2 TIP3W5061 13.210 -10.171 -13.834 1.00 0.00 WT1 O
+ATOM 8686 H1 TIP3W5061 12.788 -10.389 -14.703 1.00 0.00 WT1 H
+ATOM 8687 H2 TIP3W5061 13.948 -9.580 -14.096 1.00 0.00 WT1 H
+ATOM 8688 OH2 TIP3W5063 21.082 -1.420 -18.345 1.00 0.00 WT1 O
+ATOM 8689 H1 TIP3W5063 20.275 -1.168 -17.850 1.00 0.00 WT1 H
+ATOM 8690 H2 TIP3W5063 21.724 -0.753 -18.173 1.00 0.00 WT1 H
+ATOM 8691 OH2 TIP3W5064 12.350 5.356 -14.708 1.00 0.00 WT1 O
+ATOM 8692 H1 TIP3W5064 11.591 4.797 -14.868 1.00 0.00 WT1 H
+ATOM 8693 H2 TIP3W5064 12.842 4.886 -13.996 1.00 0.00 WT1 H
+ATOM 8694 OH2 TIP3W5065 6.977 8.033 0.476 1.00 0.00 WT1 O
+ATOM 8695 H1 TIP3W5065 6.239 7.960 -0.146 1.00 0.00 WT1 H
+ATOM 8696 H2 TIP3W5065 7.678 8.499 -0.042 1.00 0.00 WT1 H
+ATOM 8697 OH2 TIP3W5066 21.521 -7.667 1.454 1.00 0.00 WT1 O
+ATOM 8698 H1 TIP3W5066 21.177 -7.258 2.293 1.00 0.00 WT1 H
+ATOM 8699 H2 TIP3W5066 21.870 -8.492 1.791 1.00 0.00 WT1 H
+ATOM 8700 OH2 TIP3W5067 18.440 1.835 -3.621 1.00 0.00 WT1 O
+ATOM 8701 H1 TIP3W5067 18.189 1.820 -2.710 1.00 0.00 WT1 H
+ATOM 8702 H2 TIP3W5067 17.939 1.017 -3.920 1.00 0.00 WT1 H
+ATOM 8703 OH2 TIP3W5068 12.436 2.792 -10.096 1.00 0.00 WT1 O
+ATOM 8704 H1 TIP3W5068 11.694 2.161 -10.301 1.00 0.00 WT1 H
+ATOM 8705 H2 TIP3W5068 12.481 2.875 -9.098 1.00 0.00 WT1 H
+ATOM 8706 OH2 TIP3W5069 18.745 9.236 -5.334 1.00 0.00 WT1 O
+ATOM 8707 H1 TIP3W5069 17.929 9.286 -5.879 1.00 0.00 WT1 H
+ATOM 8708 H2 TIP3W5069 19.267 9.965 -5.711 1.00 0.00 WT1 H
+ATOM 8709 OH2 TIP3W5071 4.401 13.355 -1.222 1.00 0.00 WT1 O
+ATOM 8710 H1 TIP3W5071 4.809 13.916 -0.557 1.00 0.00 WT1 H
+ATOM 8711 H2 TIP3W5071 4.383 12.502 -0.863 1.00 0.00 WT1 H
+ATOM 8712 OH2 TIP3W5075 10.870 0.364 11.791 1.00 0.00 WT1 O
+ATOM 8713 H1 TIP3W5075 11.663 0.616 11.358 1.00 0.00 WT1 H
+ATOM 8714 H2 TIP3W5075 10.418 1.190 11.995 1.00 0.00 WT1 H
+ATOM 8715 OH2 TIP3W5086 13.659 7.245 2.102 1.00 0.00 WT1 O
+ATOM 8716 H1 TIP3W5086 13.211 6.860 1.313 1.00 0.00 WT1 H
+ATOM 8717 H2 TIP3W5086 13.327 8.167 2.144 1.00 0.00 WT1 H
+ATOM 8718 OH2 TIP3W5087 15.949 5.818 2.607 1.00 0.00 WT1 O
+ATOM 8719 H1 TIP3W5087 15.245 6.512 2.472 1.00 0.00 WT1 H
+ATOM 8720 H2 TIP3W5087 15.910 5.210 1.868 1.00 0.00 WT1 H
+ATOM 8721 OH2 TIP3W5088 9.280 -6.442 -3.470 1.00 0.00 WT1 O
+ATOM 8722 H1 TIP3W5088 9.960 -7.080 -3.272 1.00 0.00 WT1 H
+ATOM 8723 H2 TIP3W5088 9.305 -5.807 -2.817 1.00 0.00 WT1 H
+ATOM 8724 OH2 TIP3W5089 8.637 6.789 6.809 1.00 0.00 WT1 O
+ATOM 8725 H1 TIP3W5089 9.070 6.861 7.655 1.00 0.00 WT1 H
+ATOM 8726 H2 TIP3W5089 7.856 6.194 6.995 1.00 0.00 WT1 H
+ATOM 8727 OH2 TIP3W5090 -6.394 14.906 -6.236 1.00 0.00 WT1 O
+ATOM 8728 H1 TIP3W5090 -5.550 14.812 -5.731 1.00 0.00 WT1 H
+ATOM 8729 H2 TIP3W5090 -6.514 14.050 -6.678 1.00 0.00 WT1 H
+ATOM 8730 OH2 TIP3W5091 2.014 8.188 -13.251 1.00 0.00 WT1 O
+ATOM 8731 H1 TIP3W5091 2.606 8.438 -14.005 1.00 0.00 WT1 H
+ATOM 8732 H2 TIP3W5091 1.539 7.461 -13.646 1.00 0.00 WT1 H
+ATOM 8733 OH2 TIP3W5093 10.408 3.502 0.437 1.00 0.00 WT1 O
+ATOM 8734 H1 TIP3W5093 9.882 4.268 0.562 1.00 0.00 WT1 H
+ATOM 8735 H2 TIP3W5093 9.922 2.893 0.898 1.00 0.00 WT1 H
+ATOM 8736 OH2 TIP3W5095 15.256 15.846 10.911 1.00 0.00 WT1 O
+ATOM 8737 H1 TIP3W5095 14.714 15.177 11.387 1.00 0.00 WT1 H
+ATOM 8738 H2 TIP3W5095 14.536 16.217 10.304 1.00 0.00 WT1 H
+ATOM 8739 OH2 TIP3W5098 2.734 -10.218 12.102 1.00 0.00 WT1 O
+ATOM 8740 H1 TIP3W5098 1.924 -9.756 11.860 1.00 0.00 WT1 H
+ATOM 8741 H2 TIP3W5098 3.406 -9.559 11.892 1.00 0.00 WT1 H
+ATOM 8742 OH2 TIP3W5104 7.365 14.058 -7.496 1.00 0.00 WT1 O
+ATOM 8743 H1 TIP3W5104 7.707 13.196 -7.071 1.00 0.00 WT1 H
+ATOM 8744 H2 TIP3W5104 6.430 13.972 -7.344 1.00 0.00 WT1 H
+ATOM 8745 OH2 TIP3W5106 12.161 2.684 -7.322 1.00 0.00 WT1 O
+ATOM 8746 H1 TIP3W5106 11.216 2.964 -7.057 1.00 0.00 WT1 H
+ATOM 8747 H2 TIP3W5106 12.441 2.122 -6.608 1.00 0.00 WT1 H
+ATOM 8748 OH2 TIP3W5108 5.603 10.501 -16.517 1.00 0.00 WT1 O
+ATOM 8749 H1 TIP3W5108 6.061 11.113 -17.093 1.00 0.00 WT1 H
+ATOM 8750 H2 TIP3W5108 4.859 10.187 -17.052 1.00 0.00 WT1 H
+ATOM 8751 OH2 TIP3W5109 17.860 15.833 -13.115 1.00 0.00 WT1 O
+ATOM 8752 H1 TIP3W5109 18.250 15.563 -13.987 1.00 0.00 WT1 H
+ATOM 8753 H2 TIP3W5109 18.537 16.430 -12.770 1.00 0.00 WT1 H
+ATOM 8754 OH2 TIP3W5110 3.671 10.687 -7.078 1.00 0.00 WT1 O
+ATOM 8755 H1 TIP3W5110 4.459 10.732 -7.645 1.00 0.00 WT1 H
+ATOM 8756 H2 TIP3W5110 3.099 9.876 -7.421 1.00 0.00 WT1 H
+ATOM 8757 OH2 TIP3W5111 7.201 15.047 -3.694 1.00 0.00 WT1 O
+ATOM 8758 H1 TIP3W5111 7.542 14.643 -2.911 1.00 0.00 WT1 H
+ATOM 8759 H2 TIP3W5111 7.773 15.824 -3.874 1.00 0.00 WT1 H
+ATOM 8760 OH2 TIP3W5112 10.392 11.767 -0.171 1.00 0.00 WT1 O
+ATOM 8761 H1 TIP3W5112 10.736 12.411 0.434 1.00 0.00 WT1 H
+ATOM 8762 H2 TIP3W5112 9.560 11.389 0.236 1.00 0.00 WT1 H
+ATOM 8763 OH2 TIP3W5113 19.069 21.305 3.380 1.00 0.00 WT1 O
+ATOM 8764 H1 TIP3W5113 18.863 21.967 4.036 1.00 0.00 WT1 H
+ATOM 8765 H2 TIP3W5113 19.009 20.451 3.870 1.00 0.00 WT1 H
+ATOM 8766 OH2 TIP3W5115 4.495 -1.538 12.328 1.00 0.00 WT1 O
+ATOM 8767 H1 TIP3W5115 5.354 -1.438 11.879 1.00 0.00 WT1 H
+ATOM 8768 H2 TIP3W5115 4.483 -2.342 12.796 1.00 0.00 WT1 H
+ATOM 8769 OH2 TIP3W5117 15.609 1.530 -0.215 1.00 0.00 WT1 O
+ATOM 8770 H1 TIP3W5117 16.471 1.114 -0.434 1.00 0.00 WT1 H
+ATOM 8771 H2 TIP3W5117 15.809 2.480 -0.136 1.00 0.00 WT1 H
+ATOM 8772 OH2 TIP3W5118 16.497 -1.252 20.662 1.00 0.00 WT1 O
+ATOM 8773 H1 TIP3W5118 16.153 -2.002 21.186 1.00 0.00 WT1 H
+ATOM 8774 H2 TIP3W5118 17.449 -1.430 20.513 1.00 0.00 WT1 H
+ATOM 8775 OH2 TIP3W5121 14.649 5.678 22.461 1.00 0.00 WT1 O
+ATOM 8776 H1 TIP3W5121 15.174 4.991 22.871 1.00 0.00 WT1 H
+ATOM 8777 H2 TIP3W5121 14.456 6.296 23.201 1.00 0.00 WT1 H
+ATOM 8778 OH2 TIP3W5125 15.783 1.003 4.319 1.00 0.00 WT1 O
+ATOM 8779 H1 TIP3W5125 16.606 0.895 3.760 1.00 0.00 WT1 H
+ATOM 8780 H2 TIP3W5125 15.828 1.898 4.724 1.00 0.00 WT1 H
+ATOM 8781 OH2 TIP3W5126 7.138 19.792 -13.404 1.00 0.00 WT1 O
+ATOM 8782 H1 TIP3W5126 7.562 18.987 -12.971 1.00 0.00 WT1 H
+ATOM 8783 H2 TIP3W5126 6.191 19.585 -13.608 1.00 0.00 WT1 H
+ATOM 8784 OH2 TIP3W5127 7.495 4.678 -13.896 1.00 0.00 WT1 O
+ATOM 8785 H1 TIP3W5127 6.993 5.477 -13.566 1.00 0.00 WT1 H
+ATOM 8786 H2 TIP3W5127 6.744 4.211 -14.305 1.00 0.00 WT1 H
+ATOM 8787 OH2 TIP3W5128 17.117 17.730 -16.188 1.00 0.00 WT1 O
+ATOM 8788 H1 TIP3W5128 16.278 17.274 -16.388 1.00 0.00 WT1 H
+ATOM 8789 H2 TIP3W5128 17.774 17.237 -16.733 1.00 0.00 WT1 H
+ATOM 8790 OH2 TIP3W5129 1.542 19.173 -4.781 1.00 0.00 WT1 O
+ATOM 8791 H1 TIP3W5129 1.826 20.122 -4.701 1.00 0.00 WT1 H
+ATOM 8792 H2 TIP3W5129 0.611 19.348 -4.940 1.00 0.00 WT1 H
+ATOM 8793 OH2 TIP3W5130 21.478 15.896 -16.366 1.00 0.00 WT1 O
+ATOM 8794 H1 TIP3W5130 22.209 15.658 -15.775 1.00 0.00 WT1 H
+ATOM 8795 H2 TIP3W5130 21.833 16.768 -16.697 1.00 0.00 WT1 H
+ATOM 8796 OH2 TIP3W5131 12.615 16.231 -4.525 1.00 0.00 WT1 O
+ATOM 8797 H1 TIP3W5131 12.104 15.464 -4.445 1.00 0.00 WT1 H
+ATOM 8798 H2 TIP3W5131 11.997 16.934 -4.556 1.00 0.00 WT1 H
+ATOM 8799 OH2 TIP3W5132 8.794 17.176 -4.241 1.00 0.00 WT1 O
+ATOM 8800 H1 TIP3W5132 9.670 17.608 -4.135 1.00 0.00 WT1 H
+ATOM 8801 H2 TIP3W5132 8.491 17.373 -5.130 1.00 0.00 WT1 H
+ATOM 8802 OH2 TIP3W5133 3.574 -1.619 -8.982 1.00 0.00 WT1 O
+ATOM 8803 H1 TIP3W5133 3.490 -2.298 -8.281 1.00 0.00 WT1 H
+ATOM 8804 H2 TIP3W5133 3.820 -2.126 -9.759 1.00 0.00 WT1 H
+ATOM 8805 OH2 TIP3W5134 20.986 -3.532 -1.902 1.00 0.00 WT1 O
+ATOM 8806 H1 TIP3W5134 20.380 -3.800 -1.138 1.00 0.00 WT1 H
+ATOM 8807 H2 TIP3W5134 20.424 -3.185 -2.602 1.00 0.00 WT1 H
+ATOM 8808 OH2 TIP3W5136 19.241 9.416 21.937 1.00 0.00 WT1 O
+ATOM 8809 H1 TIP3W5136 18.510 9.068 22.546 1.00 0.00 WT1 H
+ATOM 8810 H2 TIP3W5136 18.953 9.097 21.040 1.00 0.00 WT1 H
+ATOM 8811 OH2 TIP3W5137 14.655 14.527 7.590 1.00 0.00 WT1 O
+ATOM 8812 H1 TIP3W5137 15.411 15.030 7.275 1.00 0.00 WT1 H
+ATOM 8813 H2 TIP3W5137 15.012 14.000 8.248 1.00 0.00 WT1 H
+ATOM 8814 OH2 TIP3W5140 14.300 9.844 19.997 1.00 0.00 WT1 O
+ATOM 8815 H1 TIP3W5140 13.415 9.653 20.379 1.00 0.00 WT1 H
+ATOM 8816 H2 TIP3W5140 14.665 10.482 20.604 1.00 0.00 WT1 H
+ATOM 8817 OH2 TIP3W5146 8.326 12.388 -20.172 1.00 0.00 WT1 O
+ATOM 8818 H1 TIP3W5146 8.452 12.518 -21.083 1.00 0.00 WT1 H
+ATOM 8819 H2 TIP3W5146 8.726 13.174 -19.822 1.00 0.00 WT1 H
+ATOM 8820 OH2 TIP3W5147 20.599 24.073 -16.287 1.00 0.00 WT1 O
+ATOM 8821 H1 TIP3W5147 19.927 24.173 -15.618 1.00 0.00 WT1 H
+ATOM 8822 H2 TIP3W5147 20.126 23.585 -16.972 1.00 0.00 WT1 H
+ATOM 8823 OH2 TIP3W5149 10.590 15.255 -15.463 1.00 0.00 WT1 O
+ATOM 8824 H1 TIP3W5149 10.711 14.352 -15.858 1.00 0.00 WT1 H
+ATOM 8825 H2 TIP3W5149 10.465 15.078 -14.502 1.00 0.00 WT1 H
+ATOM 8826 OH2 TIP3W5150 16.414 22.050 2.043 1.00 0.00 WT1 O
+ATOM 8827 H1 TIP3W5150 15.554 21.683 1.622 1.00 0.00 WT1 H
+ATOM 8828 H2 TIP3W5150 16.368 21.654 2.872 1.00 0.00 WT1 H
+ATOM 8829 OH2 TIP3W5152 8.555 16.288 -9.056 1.00 0.00 WT1 O
+ATOM 8830 H1 TIP3W5152 8.130 15.519 -8.588 1.00 0.00 WT1 H
+ATOM 8831 H2 TIP3W5152 9.211 16.605 -8.426 1.00 0.00 WT1 H
+ATOM 8832 OH2 TIP3W5153 10.746 11.953 2.846 1.00 0.00 WT1 O
+ATOM 8833 H1 TIP3W5153 9.853 11.571 2.865 1.00 0.00 WT1 H
+ATOM 8834 H2 TIP3W5153 10.523 12.869 2.458 1.00 0.00 WT1 H
+ATOM 8835 OH2 TIP3W5154 17.751 13.158 0.434 1.00 0.00 WT1 O
+ATOM 8836 H1 TIP3W5154 18.047 14.006 0.108 1.00 0.00 WT1 H
+ATOM 8837 H2 TIP3W5154 18.552 12.614 0.445 1.00 0.00 WT1 H
+ATOM 8838 OH2 TIP3W5156 5.934 24.597 -5.696 1.00 0.00 WT1 O
+ATOM 8839 H1 TIP3W5156 6.143 23.751 -5.235 1.00 0.00 WT1 H
+ATOM 8840 H2 TIP3W5156 5.807 25.183 -4.983 1.00 0.00 WT1 H
+ATOM 8841 OH2 TIP3W5157 17.833 9.339 11.310 1.00 0.00 WT1 O
+ATOM 8842 H1 TIP3W5157 17.179 10.033 11.414 1.00 0.00 WT1 H
+ATOM 8843 H2 TIP3W5157 18.084 9.486 10.373 1.00 0.00 WT1 H
+ATOM 8844 OH2 TIP3W5158 11.007 5.357 17.150 1.00 0.00 WT1 O
+ATOM 8845 H1 TIP3W5158 11.460 5.259 17.975 1.00 0.00 WT1 H
+ATOM 8846 H2 TIP3W5158 10.925 6.277 17.049 1.00 0.00 WT1 H
+ATOM 8847 OH2 TIP3W5161 16.913 11.795 13.928 1.00 0.00 WT1 O
+ATOM 8848 H1 TIP3W5161 17.323 12.099 13.190 1.00 0.00 WT1 H
+ATOM 8849 H2 TIP3W5161 17.669 11.383 14.319 1.00 0.00 WT1 H
+ATOM 8850 OH2 TIP3W5162 17.267 4.231 -18.175 1.00 0.00 WT1 O
+ATOM 8851 H1 TIP3W5162 18.070 3.706 -17.939 1.00 0.00 WT1 H
+ATOM 8852 H2 TIP3W5162 16.609 3.695 -17.692 1.00 0.00 WT1 H
+ATOM 8853 OH2 TIP3W5164 11.626 -3.683 -8.542 1.00 0.00 WT1 O
+ATOM 8854 H1 TIP3W5164 12.487 -3.949 -9.035 1.00 0.00 WT1 H
+ATOM 8855 H2 TIP3W5164 11.324 -2.979 -9.104 1.00 0.00 WT1 H
+ATOM 8856 OH2 TIP3W5165 10.351 6.812 -12.822 1.00 0.00 WT1 O
+ATOM 8857 H1 TIP3W5165 10.317 5.836 -12.925 1.00 0.00 WT1 H
+ATOM 8858 H2 TIP3W5165 11.021 6.973 -12.137 1.00 0.00 WT1 H
+ATOM 8859 OH2 TIP3W5168 12.773 23.651 -18.290 1.00 0.00 WT1 O
+ATOM 8860 H1 TIP3W5168 12.017 23.520 -18.887 1.00 0.00 WT1 H
+ATOM 8861 H2 TIP3W5168 13.121 24.443 -18.646 1.00 0.00 WT1 H
+ATOM 8862 OH2 TIP3W5171 -1.738 19.401 2.184 1.00 0.00 WT1 O
+ATOM 8863 H1 TIP3W5171 -1.255 20.180 1.739 1.00 0.00 WT1 H
+ATOM 8864 H2 TIP3W5171 -2.191 19.767 2.925 1.00 0.00 WT1 H
+ATOM 8865 OH2 TIP3W5172 19.394 18.475 -5.978 1.00 0.00 WT1 O
+ATOM 8866 H1 TIP3W5172 18.681 18.815 -5.427 1.00 0.00 WT1 H
+ATOM 8867 H2 TIP3W5172 19.321 18.983 -6.775 1.00 0.00 WT1 H
+ATOM 8868 OH2 TIP3W5176 3.987 10.065 4.473 1.00 0.00 WT1 O
+ATOM 8869 H1 TIP3W5176 3.515 9.259 4.854 1.00 0.00 WT1 H
+ATOM 8870 H2 TIP3W5176 3.368 10.823 4.438 1.00 0.00 WT1 H
+ATOM 8871 OH2 TIP3W5178 3.155 25.620 9.736 1.00 0.00 WT1 O
+ATOM 8872 H1 TIP3W5178 2.819 25.982 8.904 1.00 0.00 WT1 H
+ATOM 8873 H2 TIP3W5178 3.280 24.629 9.471 1.00 0.00 WT1 H
+ATOM 8874 OH2 TIP3W5180 15.465 20.374 20.249 1.00 0.00 WT1 O
+ATOM 8875 H1 TIP3W5180 14.923 21.171 20.467 1.00 0.00 WT1 H
+ATOM 8876 H2 TIP3W5180 15.263 19.798 20.982 1.00 0.00 WT1 H
+ATOM 8877 OH2 TIP3W5182 9.565 14.168 19.939 1.00 0.00 WT1 O
+ATOM 8878 H1 TIP3W5182 9.371 15.088 19.709 1.00 0.00 WT1 H
+ATOM 8879 H2 TIP3W5182 10.453 14.225 20.290 1.00 0.00 WT1 H
+ATOM 8880 OH2 TIP3W5186 17.649 18.792 -13.322 1.00 0.00 WT1 O
+ATOM 8881 H1 TIP3W5186 17.836 18.367 -14.214 1.00 0.00 WT1 H
+ATOM 8882 H2 TIP3W5186 16.659 18.745 -13.241 1.00 0.00 WT1 H
+ATOM 8883 OH2 TIP3W5188 21.500 21.523 -19.361 1.00 0.00 WT1 O
+ATOM 8884 H1 TIP3W5188 21.203 21.860 -20.271 1.00 0.00 WT1 H
+ATOM 8885 H2 TIP3W5188 20.802 21.740 -18.819 1.00 0.00 WT1 H
+ATOM 8886 OH2 TIP3W5189 7.218 29.130 -17.116 1.00 0.00 WT1 O
+ATOM 8887 H1 TIP3W5189 6.864 28.207 -17.066 1.00 0.00 WT1 H
+ATOM 8888 H2 TIP3W5189 6.501 29.647 -17.357 1.00 0.00 WT1 H
+ATOM 8889 OH2 TIP3W5190 -3.557 13.704 -16.123 1.00 0.00 WT1 O
+ATOM 8890 H1 TIP3W5190 -2.735 13.223 -16.350 1.00 0.00 WT1 H
+ATOM 8891 H2 TIP3W5190 -3.238 14.251 -15.418 1.00 0.00 WT1 H
+ATOM 8892 OH2 TIP3W5191 0.120 19.337 -8.722 1.00 0.00 WT1 O
+ATOM 8893 H1 TIP3W5191 0.443 18.448 -9.036 1.00 0.00 WT1 H
+ATOM 8894 H2 TIP3W5191 0.962 19.742 -8.373 1.00 0.00 WT1 H
+ATOM 8895 OH2 TIP3W5192 3.628 24.935 2.336 1.00 0.00 WT1 O
+ATOM 8896 H1 TIP3W5192 3.665 25.319 1.462 1.00 0.00 WT1 H
+ATOM 8897 H2 TIP3W5192 3.999 25.662 2.878 1.00 0.00 WT1 H
+ATOM 8898 OH2 TIP3W5194 20.825 24.796 -2.777 1.00 0.00 WT1 O
+ATOM 8899 H1 TIP3W5194 20.287 24.649 -1.964 1.00 0.00 WT1 H
+ATOM 8900 H2 TIP3W5194 21.530 25.359 -2.435 1.00 0.00 WT1 H
+ATOM 8901 OH2 TIP3W5195 11.678 -6.913 4.287 1.00 0.00 WT1 O
+ATOM 8902 H1 TIP3W5195 11.730 -6.031 4.640 1.00 0.00 WT1 H
+ATOM 8903 H2 TIP3W5195 12.592 -7.201 4.128 1.00 0.00 WT1 H
+ATOM 8904 OH2 TIP3W5196 6.526 7.827 3.757 1.00 0.00 WT1 O
+ATOM 8905 H1 TIP3W5196 6.439 8.066 2.872 1.00 0.00 WT1 H
+ATOM 8906 H2 TIP3W5196 7.527 7.753 3.782 1.00 0.00 WT1 H
+ATOM 8907 OH2 TIP3W5197 6.633 26.029 12.085 1.00 0.00 WT1 O
+ATOM 8908 H1 TIP3W5197 7.291 26.446 12.670 1.00 0.00 WT1 H
+ATOM 8909 H2 TIP3W5197 5.882 26.709 11.849 1.00 0.00 WT1 H
+ATOM 8910 OH2 TIP3W5198 7.432 23.957 10.558 1.00 0.00 WT1 O
+ATOM 8911 H1 TIP3W5198 7.011 24.684 11.060 1.00 0.00 WT1 H
+ATOM 8912 H2 TIP3W5198 7.689 23.376 11.294 1.00 0.00 WT1 H
+ATOM 8913 OH2 TIP3W5199 -2.867 19.722 10.135 1.00 0.00 WT1 O
+ATOM 8914 H1 TIP3W5199 -3.187 20.639 10.147 1.00 0.00 WT1 H
+ATOM 8915 H2 TIP3W5199 -2.626 19.607 9.245 1.00 0.00 WT1 H
+ATOM 8916 OH2 TIP3W5200 11.379 30.983 7.694 1.00 0.00 WT1 O
+ATOM 8917 H1 TIP3W5200 12.214 30.680 7.229 1.00 0.00 WT1 H
+ATOM 8918 H2 TIP3W5200 11.199 30.248 8.258 1.00 0.00 WT1 H
+ATOM 8919 OH2 TIP3W5201 10.453 27.190 13.153 1.00 0.00 WT1 O
+ATOM 8920 H1 TIP3W5201 10.183 27.296 14.094 1.00 0.00 WT1 H
+ATOM 8921 H2 TIP3W5201 10.123 26.320 12.930 1.00 0.00 WT1 H
+ATOM 8922 OH2 TIP3W5205 -13.281 26.492 17.230 1.00 0.00 WT1 O
+ATOM 8923 H1 TIP3W5205 -13.952 26.498 17.939 1.00 0.00 WT1 H
+ATOM 8924 H2 TIP3W5205 -12.946 27.403 17.286 1.00 0.00 WT1 H
+ATOM 8925 OH2 TIP3W5206 4.188 26.807 -14.967 1.00 0.00 WT1 O
+ATOM 8926 H1 TIP3W5206 3.675 26.605 -15.767 1.00 0.00 WT1 H
+ATOM 8927 H2 TIP3W5206 3.552 26.542 -14.234 1.00 0.00 WT1 H
+ATOM 8928 OH2 TIP3W5211 12.320 20.953 -5.029 1.00 0.00 WT1 O
+ATOM 8929 H1 TIP3W5211 13.294 21.054 -5.163 1.00 0.00 WT1 H
+ATOM 8930 H2 TIP3W5211 11.954 21.584 -5.733 1.00 0.00 WT1 H
+ATOM 8931 OH2 TIP3W5212 5.535 30.151 3.968 1.00 0.00 WT1 O
+ATOM 8932 H1 TIP3W5212 6.189 29.460 3.858 1.00 0.00 WT1 H
+ATOM 8933 H2 TIP3W5212 5.718 30.634 4.776 1.00 0.00 WT1 H
+ATOM 8934 OH2 TIP3W5214 -9.682 25.550 -14.426 1.00 0.00 WT1 O
+ATOM 8935 H1 TIP3W5214 -9.589 26.515 -14.250 1.00 0.00 WT1 H
+ATOM 8936 H2 TIP3W5214 -8.839 25.386 -14.982 1.00 0.00 WT1 H
+ATOM 8937 OH2 TIP3W5215 13.349 21.998 11.047 1.00 0.00 WT1 O
+ATOM 8938 H1 TIP3W5215 12.838 22.201 11.832 1.00 0.00 WT1 H
+ATOM 8939 H2 TIP3W5215 12.983 22.562 10.370 1.00 0.00 WT1 H
+ATOM 8940 OH2 TIP3W5216 20.815 18.510 -3.543 1.00 0.00 WT1 O
+ATOM 8941 H1 TIP3W5216 20.560 18.545 -4.475 1.00 0.00 WT1 H
+ATOM 8942 H2 TIP3W5216 20.328 19.294 -3.207 1.00 0.00 WT1 H
+ATOM 8943 OH2 TIP3W5217 13.536 23.687 7.811 1.00 0.00 WT1 O
+ATOM 8944 H1 TIP3W5217 13.451 23.881 6.892 1.00 0.00 WT1 H
+ATOM 8945 H2 TIP3W5217 14.123 22.854 7.829 1.00 0.00 WT1 H
+ATOM 8946 OH2 TIP3W5218 11.133 11.098 13.523 1.00 0.00 WT1 O
+ATOM 8947 H1 TIP3W5218 10.577 11.924 13.294 1.00 0.00 WT1 H
+ATOM 8948 H2 TIP3W5218 11.584 11.269 14.383 1.00 0.00 WT1 H
+ATOM 8949 OH2 TIP3W5220 16.615 22.491 8.096 1.00 0.00 WT1 O
+ATOM 8950 H1 TIP3W5220 16.581 21.741 8.742 1.00 0.00 WT1 H
+ATOM 8951 H2 TIP3W5220 16.216 22.124 7.333 1.00 0.00 WT1 H
+ATOM 8952 OH2 TIP3W5221 10.854 15.592 16.911 1.00 0.00 WT1 O
+ATOM 8953 H1 TIP3W5221 10.943 15.029 17.705 1.00 0.00 WT1 H
+ATOM 8954 H2 TIP3W5221 11.728 15.378 16.506 1.00 0.00 WT1 H
+ATOM 8955 OH2 TIP3W5223 5.620 22.267 6.409 1.00 0.00 WT1 O
+ATOM 8956 H1 TIP3W5223 5.276 21.558 6.971 1.00 0.00 WT1 H
+ATOM 8957 H2 TIP3W5223 5.621 21.918 5.482 1.00 0.00 WT1 H
+ATOM 8958 OH2 TIP3W5224 16.180 22.265 16.863 1.00 0.00 WT1 O
+ATOM 8959 H1 TIP3W5224 15.606 22.460 16.094 1.00 0.00 WT1 H
+ATOM 8960 H2 TIP3W5224 15.628 21.587 17.280 1.00 0.00 WT1 H
+ATOM 8961 OH2 TIP3W5230 10.848 30.098 -18.255 1.00 0.00 WT1 O
+ATOM 8962 H1 TIP3W5230 11.513 30.763 -18.434 1.00 0.00 WT1 H
+ATOM 8963 H2 TIP3W5230 10.587 30.244 -17.310 1.00 0.00 WT1 H
+ATOM 8964 OH2 TIP3W5231 -9.308 30.663 -11.155 1.00 0.00 WT1 O
+ATOM 8965 H1 TIP3W5231 -10.009 31.098 -10.680 1.00 0.00 WT1 H
+ATOM 8966 H2 TIP3W5231 -9.721 29.848 -11.219 1.00 0.00 WT1 H
+ATOM 8967 OH2 TIP3W5232 12.124 30.616 -7.296 1.00 0.00 WT1 O
+ATOM 8968 H1 TIP3W5232 12.813 30.965 -7.891 1.00 0.00 WT1 H
+ATOM 8969 H2 TIP3W5232 12.617 30.201 -6.574 1.00 0.00 WT1 H
+ATOM 8970 OH2 TIP3W5233 14.403 21.267 -0.055 1.00 0.00 WT1 O
+ATOM 8971 H1 TIP3W5233 13.473 21.393 0.212 1.00 0.00 WT1 H
+ATOM 8972 H2 TIP3W5233 14.639 22.053 -0.576 1.00 0.00 WT1 H
+ATOM 8973 OH2 TIP3W5234 4.484 -29.422 -8.482 1.00 0.00 WT1 O
+ATOM 8974 H1 TIP3W5234 4.458 -28.832 -9.274 1.00 0.00 WT1 H
+ATOM 8975 H2 TIP3W5234 4.716 -30.336 -8.796 1.00 0.00 WT1 H
+ATOM 8976 OH2 TIP3W5235 11.102 31.294 -4.039 1.00 0.00 WT1 O
+ATOM 8977 H1 TIP3W5235 11.955 31.507 -3.765 1.00 0.00 WT1 H
+ATOM 8978 H2 TIP3W5235 11.111 30.272 -4.118 1.00 0.00 WT1 H
+ATOM 8979 OH2 TIP3W5236 4.103 30.127 12.616 1.00 0.00 WT1 O
+ATOM 8980 H1 TIP3W5236 5.003 30.286 12.270 1.00 0.00 WT1 H
+ATOM 8981 H2 TIP3W5236 3.859 29.404 12.076 1.00 0.00 WT1 H
+ATOM 8982 OH2 TIP3W5237 8.432 19.858 0.585 1.00 0.00 WT1 O
+ATOM 8983 H1 TIP3W5237 8.575 19.831 -0.360 1.00 0.00 WT1 H
+ATOM 8984 H2 TIP3W5237 7.645 19.305 0.665 1.00 0.00 WT1 H
+ATOM 8985 OH2 TIP3W5238 5.422 23.452 17.311 1.00 0.00 WT1 O
+ATOM 8986 H1 TIP3W5238 4.790 24.205 17.345 1.00 0.00 WT1 H
+ATOM 8987 H2 TIP3W5238 5.735 23.407 16.402 1.00 0.00 WT1 H
+ATOM 8988 OH2 TIP3W5240 3.129 22.972 9.324 1.00 0.00 WT1 O
+ATOM 8989 H1 TIP3W5240 2.993 22.532 8.484 1.00 0.00 WT1 H
+ATOM 8990 H2 TIP3W5240 4.010 22.670 9.559 1.00 0.00 WT1 H
+ATOM 8991 OH2 TIP3W5241 8.010 9.647 -1.411 1.00 0.00 WT1 O
+ATOM 8992 H1 TIP3W5241 7.212 10.084 -1.754 1.00 0.00 WT1 H
+ATOM 8993 H2 TIP3W5241 8.471 9.366 -2.260 1.00 0.00 WT1 H
+ATOM 8994 OH2 TIP3W5242 8.519 14.418 16.517 1.00 0.00 WT1 O
+ATOM 8995 H1 TIP3W5242 9.041 13.620 16.583 1.00 0.00 WT1 H
+ATOM 8996 H2 TIP3W5242 9.166 15.102 16.434 1.00 0.00 WT1 H
+ATOM 8997 OH2 TIP3W5244 5.521 21.185 3.831 1.00 0.00 WT1 O
+ATOM 8998 H1 TIP3W5244 4.724 20.898 3.428 1.00 0.00 WT1 H
+ATOM 8999 H2 TIP3W5244 6.170 20.954 3.088 1.00 0.00 WT1 H
+ATOM 9000 OH2 TIP3W5251 6.662 -17.321 -21.065 1.00 0.00 WT1 O
+ATOM 9001 H1 TIP3W5251 6.244 -18.088 -20.660 1.00 0.00 WT1 H
+ATOM 9002 H2 TIP3W5251 6.507 -16.574 -20.420 1.00 0.00 WT1 H
+ATOM 9003 OH2 TIP3W5253 -1.015 15.925 -20.220 1.00 0.00 WT1 O
+ATOM 9004 H1 TIP3W5253 -1.327 15.969 -19.288 1.00 0.00 WT1 H
+ATOM 9005 H2 TIP3W5253 -0.192 16.440 -20.217 1.00 0.00 WT1 H
+ATOM 9006 OH2 TIP3W5255 6.470 31.870 -15.256 1.00 0.00 WT1 O
+ATOM 9007 H1 TIP3W5255 6.006 32.129 -16.030 1.00 0.00 WT1 H
+ATOM 9008 H2 TIP3W5255 5.846 31.147 -14.897 1.00 0.00 WT1 H
+ATOM 9009 OH2 TIP3W5257 2.455 19.602 8.522 1.00 0.00 WT1 O
+ATOM 9010 H1 TIP3W5257 1.488 19.867 8.389 1.00 0.00 WT1 H
+ATOM 9011 H2 TIP3W5257 2.677 19.856 9.386 1.00 0.00 WT1 H
+ATOM 9012 OH2 TIP3W5258 9.861 26.879 -0.380 1.00 0.00 WT1 O
+ATOM 9013 H1 TIP3W5258 10.304 27.230 0.395 1.00 0.00 WT1 H
+ATOM 9014 H2 TIP3W5258 9.669 27.698 -0.881 1.00 0.00 WT1 H
+ATOM 9015 OH2 TIP3W5259 18.855 -24.394 -17.799 1.00 0.00 WT1 O
+ATOM 9016 H1 TIP3W5259 18.768 -23.756 -18.539 1.00 0.00 WT1 H
+ATOM 9017 H2 TIP3W5259 18.694 -25.279 -18.201 1.00 0.00 WT1 H
+ATOM 9018 OH2 TIP3W5260 13.196 -31.173 -3.470 1.00 0.00 WT1 O
+ATOM 9019 H1 TIP3W5260 13.709 -30.375 -3.178 1.00 0.00 WT1 H
+ATOM 9020 H2 TIP3W5260 12.390 -30.849 -3.995 1.00 0.00 WT1 H
+ATOM 9021 OH2 TIP3W5261 13.442 29.958 6.248 1.00 0.00 WT1 O
+ATOM 9022 H1 TIP3W5261 13.587 29.312 5.532 1.00 0.00 WT1 H
+ATOM 9023 H2 TIP3W5261 14.143 29.760 6.920 1.00 0.00 WT1 H
+ATOM 9024 OH2 TIP3W5262 12.646 28.164 8.519 1.00 0.00 WT1 O
+ATOM 9025 H1 TIP3W5262 13.241 27.417 8.296 1.00 0.00 WT1 H
+ATOM 9026 H2 TIP3W5262 12.611 28.055 9.500 1.00 0.00 WT1 H
+ATOM 9027 OH2 TIP3W5263 17.735 16.750 11.048 1.00 0.00 WT1 O
+ATOM 9028 H1 TIP3W5263 16.801 17.066 10.883 1.00 0.00 WT1 H
+ATOM 9029 H2 TIP3W5263 18.025 16.563 10.134 1.00 0.00 WT1 H
+ATOM 9030 OH2 TIP3W5267 3.006 -26.807 15.204 1.00 0.00 WT1 O
+ATOM 9031 H1 TIP3W5267 3.968 -26.795 15.428 1.00 0.00 WT1 H
+ATOM 9032 H2 TIP3W5267 3.025 -27.321 14.339 1.00 0.00 WT1 H
+ATOM 9033 OH2 TIP3W5269 16.463 25.069 21.441 1.00 0.00 WT1 O
+ATOM 9034 H1 TIP3W5269 17.156 25.232 22.118 1.00 0.00 WT1 H
+ATOM 9035 H2 TIP3W5269 16.560 25.872 20.850 1.00 0.00 WT1 H
+ATOM 9036 OH2 TIP3W5270 10.995 21.181 -20.930 1.00 0.00 WT1 O
+ATOM 9037 H1 TIP3W5270 10.781 21.603 -21.827 1.00 0.00 WT1 H
+ATOM 9038 H2 TIP3W5270 11.793 20.602 -21.203 1.00 0.00 WT1 H
+ATOM 9039 OH2 TIP3W5272 13.926 -25.045 -17.836 1.00 0.00 WT1 O
+ATOM 9040 H1 TIP3W5272 14.570 -25.183 -18.606 1.00 0.00 WT1 H
+ATOM 9041 H2 TIP3W5272 14.078 -25.761 -17.231 1.00 0.00 WT1 H
+ATOM 9042 OH2 TIP3W5274 -2.076 21.670 -11.792 1.00 0.00 WT1 O
+ATOM 9043 H1 TIP3W5274 -1.410 21.015 -11.762 1.00 0.00 WT1 H
+ATOM 9044 H2 TIP3W5274 -2.607 21.441 -12.556 1.00 0.00 WT1 H
+ATOM 9045 OH2 TIP3W5275 11.730 27.472 -19.526 1.00 0.00 WT1 O
+ATOM 9046 H1 TIP3W5275 12.508 27.453 -20.021 1.00 0.00 WT1 H
+ATOM 9047 H2 TIP3W5275 11.628 28.385 -19.169 1.00 0.00 WT1 H
+ATOM 9048 OH2 TIP3W5276 2.977 30.808 3.564 1.00 0.00 WT1 O
+ATOM 9049 H1 TIP3W5276 2.617 29.953 3.889 1.00 0.00 WT1 H
+ATOM 9050 H2 TIP3W5276 3.912 30.615 3.785 1.00 0.00 WT1 H
+ATOM 9051 OH2 TIP3W5277 -5.368 21.369 -12.230 1.00 0.00 WT1 O
+ATOM 9052 H1 TIP3W5277 -4.991 22.190 -11.795 1.00 0.00 WT1 H
+ATOM 9053 H2 TIP3W5277 -5.660 21.662 -13.115 1.00 0.00 WT1 H
+ATOM 9054 OH2 TIP3W5278 13.356 22.729 -15.930 1.00 0.00 WT1 O
+ATOM 9055 H1 TIP3W5278 13.199 23.006 -16.866 1.00 0.00 WT1 H
+ATOM 9056 H2 TIP3W5278 13.131 21.825 -15.933 1.00 0.00 WT1 H
+ATOM 9057 OH2 TIP3W5279 13.632 29.180 -1.384 1.00 0.00 WT1 O
+ATOM 9058 H1 TIP3W5279 13.825 30.058 -1.572 1.00 0.00 WT1 H
+ATOM 9059 H2 TIP3W5279 14.436 28.728 -1.649 1.00 0.00 WT1 H
+ATOM 9060 OH2 TIP3W5280 9.642 31.308 12.880 1.00 0.00 WT1 O
+ATOM 9061 H1 TIP3W5280 10.233 30.734 12.438 1.00 0.00 WT1 H
+ATOM 9062 H2 TIP3W5280 9.113 30.680 13.287 1.00 0.00 WT1 H
+ATOM 9063 OH2 TIP3W5281 11.701 31.254 4.259 1.00 0.00 WT1 O
+ATOM 9064 H1 TIP3W5281 10.776 31.160 4.668 1.00 0.00 WT1 H
+ATOM 9065 H2 TIP3W5281 12.246 30.785 4.849 1.00 0.00 WT1 H
+ATOM 9066 OH2 TIP3W5282 15.629 29.069 7.666 1.00 0.00 WT1 O
+ATOM 9067 H1 TIP3W5282 16.244 29.235 8.433 1.00 0.00 WT1 H
+ATOM 9068 H2 TIP3W5282 15.409 28.084 7.746 1.00 0.00 WT1 H
+ATOM 9069 OH2 TIP3W5287 7.349 30.351 15.251 1.00 0.00 WT1 O
+ATOM 9070 H1 TIP3W5287 7.645 29.526 14.754 1.00 0.00 WT1 H
+ATOM 9071 H2 TIP3W5287 7.787 30.193 16.122 1.00 0.00 WT1 H
+ATOM 9072 OH2 TIP3W5292 11.169 29.968 -22.271 1.00 0.00 WT1 O
+ATOM 9073 H1 TIP3W5292 11.980 29.520 -21.927 1.00 0.00 WT1 H
+ATOM 9074 H2 TIP3W5292 11.409 30.917 -22.291 1.00 0.00 WT1 H
+ATOM 9075 OH2 TIP3W5294 -3.378 22.538 -1.011 1.00 0.00 WT1 O
+ATOM 9076 H1 TIP3W5294 -3.292 23.257 -1.637 1.00 0.00 WT1 H
+ATOM 9077 H2 TIP3W5294 -4.334 22.520 -0.836 1.00 0.00 WT1 H
+ATOM 9078 OH2 TIP3W5295 21.531 30.915 -11.122 1.00 0.00 WT1 O
+ATOM 9079 H1 TIP3W5295 20.799 31.391 -10.706 1.00 0.00 WT1 H
+ATOM 9080 H2 TIP3W5295 21.915 31.515 -11.821 1.00 0.00 WT1 H
+ATOM 9081 OH2 TIP3W5299 13.344 24.738 5.161 1.00 0.00 WT1 O
+ATOM 9082 H1 TIP3W5299 12.749 25.474 5.411 1.00 0.00 WT1 H
+ATOM 9083 H2 TIP3W5299 14.183 25.219 5.120 1.00 0.00 WT1 H
+ATOM 9084 OH2 TIP3W5300 6.129 28.501 -1.920 1.00 0.00 WT1 O
+ATOM 9085 H1 TIP3W5300 7.091 28.667 -1.947 1.00 0.00 WT1 H
+ATOM 9086 H2 TIP3W5300 6.055 27.981 -1.073 1.00 0.00 WT1 H
+ATOM 9087 OH2 TIP3W5302 13.647 -25.597 4.498 1.00 0.00 WT1 O
+ATOM 9088 H1 TIP3W5302 14.202 -25.493 3.758 1.00 0.00 WT1 H
+ATOM 9089 H2 TIP3W5302 13.002 -24.852 4.373 1.00 0.00 WT1 H
+ATOM 9090 OH2 TIP3W5303 19.201 30.541 11.217 1.00 0.00 WT1 O
+ATOM 9091 H1 TIP3W5303 18.460 31.196 11.402 1.00 0.00 WT1 H
+ATOM 9092 H2 TIP3W5303 19.842 31.209 10.885 1.00 0.00 WT1 H
+ATOM 9093 OH2 TIP3W5307 2.174 20.306 11.105 1.00 0.00 WT1 O
+ATOM 9094 H1 TIP3W5307 1.653 19.471 11.095 1.00 0.00 WT1 H
+ATOM 9095 H2 TIP3W5307 2.351 20.497 12.061 1.00 0.00 WT1 H
+ATOM 9096 OH2 TIP3W5315 2.145 28.981 -16.469 1.00 0.00 WT1 O
+ATOM 9097 H1 TIP3W5315 1.621 28.886 -15.658 1.00 0.00 WT1 H
+ATOM 9098 H2 TIP3W5315 2.243 28.070 -16.874 1.00 0.00 WT1 H
+ATOM 9099 OH2 TIP3W5317 11.713 -25.336 -21.236 1.00 0.00 WT1 O
+ATOM 9100 H1 TIP3W5317 11.188 -25.886 -20.709 1.00 0.00 WT1 H
+ATOM 9101 H2 TIP3W5317 11.212 -24.552 -21.478 1.00 0.00 WT1 H
+ATOM 9102 OH2 TIP3W5318 14.088 -22.476 -4.958 1.00 0.00 WT1 O
+ATOM 9103 H1 TIP3W5318 13.552 -23.311 -5.000 1.00 0.00 WT1 H
+ATOM 9104 H2 TIP3W5318 13.768 -21.904 -5.712 1.00 0.00 WT1 H
+ATOM 9105 OH2 TIP3W5319 10.917 -31.242 -18.871 1.00 0.00 WT1 O
+ATOM 9106 H1 TIP3W5319 10.104 -31.692 -19.145 1.00 0.00 WT1 H
+ATOM 9107 H2 TIP3W5319 11.419 -31.426 -19.681 1.00 0.00 WT1 H
+ATOM 9108 OH2 TIP3W5320 -5.311 -22.397 -4.497 1.00 0.00 WT1 O
+ATOM 9109 H1 TIP3W5320 -4.692 -22.823 -5.100 1.00 0.00 WT1 H
+ATOM 9110 H2 TIP3W5320 -6.094 -22.935 -4.534 1.00 0.00 WT1 H
+ATOM 9111 OH2 TIP3W5321 12.426 22.952 1.188 1.00 0.00 WT1 O
+ATOM 9112 H1 TIP3W5321 12.425 22.700 2.137 1.00 0.00 WT1 H
+ATOM 9113 H2 TIP3W5321 12.819 23.872 1.227 1.00 0.00 WT1 H
+ATOM 9114 OH2 TIP3W5323 6.070 -26.287 1.402 1.00 0.00 WT1 O
+ATOM 9115 H1 TIP3W5323 6.936 -26.226 1.009 1.00 0.00 WT1 H
+ATOM 9116 H2 TIP3W5323 6.265 -26.592 2.299 1.00 0.00 WT1 H
+ATOM 9117 OH2 TIP3W5324 9.834 26.772 22.760 1.00 0.00 WT1 O
+ATOM 9118 H1 TIP3W5324 9.986 26.956 21.841 1.00 0.00 WT1 H
+ATOM 9119 H2 TIP3W5324 10.146 27.625 23.095 1.00 0.00 WT1 H
+ATOM 9120 OH2 TIP3W5325 20.675 -26.785 12.652 1.00 0.00 WT1 O
+ATOM 9121 H1 TIP3W5325 20.842 -25.958 13.116 1.00 0.00 WT1 H
+ATOM 9122 H2 TIP3W5325 21.595 -27.096 12.509 1.00 0.00 WT1 H
+ATOM 9123 OH2 TIP3W5326 6.659 31.724 12.064 1.00 0.00 WT1 O
+ATOM 9124 H1 TIP3W5326 6.177 31.949 12.883 1.00 0.00 WT1 H
+ATOM 9125 H2 TIP3W5326 7.519 31.497 12.400 1.00 0.00 WT1 H
+ATOM 9126 OH2 TIP3W5327 20.049 -31.640 13.938 1.00 0.00 WT1 O
+ATOM 9127 H1 TIP3W5327 20.810 -31.425 14.480 1.00 0.00 WT1 H
+ATOM 9128 H2 TIP3W5327 20.448 -32.228 13.221 1.00 0.00 WT1 H
+ATOM 9129 OH2 TIP3W5329 20.567 24.365 10.225 1.00 0.00 WT1 O
+ATOM 9130 H1 TIP3W5329 21.487 24.749 10.457 1.00 0.00 WT1 H
+ATOM 9131 H2 TIP3W5329 20.339 25.028 9.556 1.00 0.00 WT1 H
+ATOM 9132 OH2 TIP3W5330 12.839 25.276 12.154 1.00 0.00 WT1 O
+ATOM 9133 H1 TIP3W5330 12.603 26.154 11.773 1.00 0.00 WT1 H
+ATOM 9134 H2 TIP3W5330 12.426 24.740 11.462 1.00 0.00 WT1 H
+ATOM 9135 OH2 TIP3W5335 22.190 29.667 -19.875 1.00 0.00 WT1 O
+ATOM 9136 H1 TIP3W5335 21.585 29.488 -19.129 1.00 0.00 WT1 H
+ATOM 9137 H2 TIP3W5335 22.257 28.742 -20.297 1.00 0.00 WT1 H
+ATOM 9138 OH2 TIP3W5336 20.191 28.828 -12.150 1.00 0.00 WT1 O
+ATOM 9139 H1 TIP3W5336 20.711 29.571 -11.785 1.00 0.00 WT1 H
+ATOM 9140 H2 TIP3W5336 20.880 28.192 -12.440 1.00 0.00 WT1 H
+ATOM 9141 OH2 TIP3W5337 13.820 25.772 0.722 1.00 0.00 WT1 O
+ATOM 9142 H1 TIP3W5337 13.660 25.885 -0.208 1.00 0.00 WT1 H
+ATOM 9143 H2 TIP3W5337 14.725 25.417 0.730 1.00 0.00 WT1 H
+ATOM 9144 OH2 TIP3W5339 5.817 29.218 -14.191 1.00 0.00 WT1 O
+ATOM 9145 H1 TIP3W5339 5.572 28.390 -14.625 1.00 0.00 WT1 H
+ATOM 9146 H2 TIP3W5339 5.458 29.073 -13.277 1.00 0.00 WT1 H
+ATOM 9147 OH2 TIP3W5340 15.023 27.256 -8.075 1.00 0.00 WT1 O
+ATOM 9148 H1 TIP3W5340 15.954 27.387 -8.085 1.00 0.00 WT1 H
+ATOM 9149 H2 TIP3W5340 14.805 27.029 -8.958 1.00 0.00 WT1 H
+ATOM 9150 OH2 TIP3W5341 -1.980 -18.455 -8.583 1.00 0.00 WT1 O
+ATOM 9151 H1 TIP3W5341 -2.013 -18.862 -7.694 1.00 0.00 WT1 H
+ATOM 9152 H2 TIP3W5341 -1.622 -19.234 -9.151 1.00 0.00 WT1 H
+ATOM 9153 OH2 TIP3W5342 -5.235 19.463 2.761 1.00 0.00 WT1 O
+ATOM 9154 H1 TIP3W5342 -6.124 19.408 2.322 1.00 0.00 WT1 H
+ATOM 9155 H2 TIP3W5342 -4.691 18.923 2.136 1.00 0.00 WT1 H
+ATOM 9156 OH2 TIP3W5343 9.812 -20.500 4.379 1.00 0.00 WT1 O
+ATOM 9157 H1 TIP3W5343 9.468 -21.271 4.925 1.00 0.00 WT1 H
+ATOM 9158 H2 TIP3W5343 9.010 -20.143 4.101 1.00 0.00 WT1 H
+ATOM 9159 OH2 TIP3W5344 16.218 -29.991 18.689 1.00 0.00 WT1 O
+ATOM 9160 H1 TIP3W5344 15.918 -30.885 18.277 1.00 0.00 WT1 H
+ATOM 9161 H2 TIP3W5344 15.995 -29.316 18.015 1.00 0.00 WT1 H
+ATOM 9162 OH2 TIP3W5347 17.858 26.738 6.956 1.00 0.00 WT1 O
+ATOM 9163 H1 TIP3W5347 18.194 25.863 7.264 1.00 0.00 WT1 H
+ATOM 9164 H2 TIP3W5347 17.745 27.231 7.812 1.00 0.00 WT1 H
+ATOM 9165 OH2 TIP3W5348 11.131 -22.216 20.254 1.00 0.00 WT1 O
+ATOM 9166 H1 TIP3W5348 11.710 -22.866 20.773 1.00 0.00 WT1 H
+ATOM 9167 H2 TIP3W5348 11.481 -22.352 19.344 1.00 0.00 WT1 H
+ATOM 9168 OH2 TIP3W5349 11.681 -31.626 19.693 1.00 0.00 WT1 O
+ATOM 9169 H1 TIP3W5349 12.569 -31.848 19.736 1.00 0.00 WT1 H
+ATOM 9170 H2 TIP3W5349 11.678 -30.730 19.319 1.00 0.00 WT1 H
+ATOM 9171 OH2 TIP3W5355 4.541 -31.998 -20.578 1.00 0.00 WT1 O
+ATOM 9172 H1 TIP3W5355 3.648 -32.175 -20.752 1.00 0.00 WT1 H
+ATOM 9173 H2 TIP3W5355 4.745 -31.165 -21.013 1.00 0.00 WT1 H
+ATOM 9174 OH2 TIP3W5358 8.788 -12.024 -17.591 1.00 0.00 WT1 O
+ATOM 9175 H1 TIP3W5358 8.020 -11.513 -17.458 1.00 0.00 WT1 H
+ATOM 9176 H2 TIP3W5358 8.432 -12.711 -18.239 1.00 0.00 WT1 H
+ATOM 9177 OH2 TIP3W5360 11.710 -23.943 -12.982 1.00 0.00 WT1 O
+ATOM 9178 H1 TIP3W5360 10.974 -24.332 -13.540 1.00 0.00 WT1 H
+ATOM 9179 H2 TIP3W5360 11.680 -24.498 -12.160 1.00 0.00 WT1 H
+ATOM 9180 OH2 TIP3W5361 3.716 28.726 7.251 1.00 0.00 WT1 O
+ATOM 9181 H1 TIP3W5361 4.285 27.977 7.077 1.00 0.00 WT1 H
+ATOM 9182 H2 TIP3W5361 4.184 29.468 6.834 1.00 0.00 WT1 H
+ATOM 9183 OH2 TIP3W5364 5.888 -10.588 -4.813 1.00 0.00 WT1 O
+ATOM 9184 H1 TIP3W5364 6.862 -10.316 -4.625 1.00 0.00 WT1 H
+ATOM 9185 H2 TIP3W5364 5.682 -11.197 -4.088 1.00 0.00 WT1 H
+ATOM 9186 OH2 TIP3W5365 11.514 -23.749 4.188 1.00 0.00 WT1 O
+ATOM 9187 H1 TIP3W5365 11.829 -22.976 3.726 1.00 0.00 WT1 H
+ATOM 9188 H2 TIP3W5365 10.808 -23.437 4.785 1.00 0.00 WT1 H
+ATOM 9189 OH2 TIP3W5366 2.161 -29.533 0.665 1.00 0.00 WT1 O
+ATOM 9190 H1 TIP3W5366 2.885 -28.919 0.402 1.00 0.00 WT1 H
+ATOM 9191 H2 TIP3W5366 2.634 -30.330 1.019 1.00 0.00 WT1 H
+ATOM 9192 OH2 TIP3W5367 8.296 24.960 18.597 1.00 0.00 WT1 O
+ATOM 9193 H1 TIP3W5367 7.739 25.745 18.659 1.00 0.00 WT1 H
+ATOM 9194 H2 TIP3W5367 8.213 24.698 17.719 1.00 0.00 WT1 H
+ATOM 9195 OH2 TIP3W5368 5.988 -23.772 18.652 1.00 0.00 WT1 O
+ATOM 9196 H1 TIP3W5368 5.756 -23.567 17.730 1.00 0.00 WT1 H
+ATOM 9197 H2 TIP3W5368 5.379 -23.236 19.172 1.00 0.00 WT1 H
+ATOM 9198 OH2 TIP3W5369 7.599 -27.721 3.412 1.00 0.00 WT1 O
+ATOM 9199 H1 TIP3W5369 7.588 -28.664 3.057 1.00 0.00 WT1 H
+ATOM 9200 H2 TIP3W5369 8.548 -27.565 3.584 1.00 0.00 WT1 H
+ATOM 9201 OH2 TIP3W5370 12.016 -12.110 14.654 1.00 0.00 WT1 O
+ATOM 9202 H1 TIP3W5370 11.454 -12.676 14.096 1.00 0.00 WT1 H
+ATOM 9203 H2 TIP3W5370 12.633 -12.801 15.075 1.00 0.00 WT1 H
+ATOM 9204 OH2 TIP3W5371 8.973 -15.569 18.416 1.00 0.00 WT1 O
+ATOM 9205 H1 TIP3W5371 9.109 -15.006 19.163 1.00 0.00 WT1 H
+ATOM 9206 H2 TIP3W5371 8.780 -16.430 18.840 1.00 0.00 WT1 H
+ATOM 9207 OH2 TIP3W5375 20.248 -17.545 -20.987 1.00 0.00 WT1 O
+ATOM 9208 H1 TIP3W5375 19.653 -17.441 -20.200 1.00 0.00 WT1 H
+ATOM 9209 H2 TIP3W5375 20.534 -18.447 -20.840 1.00 0.00 WT1 H
+ATOM 9210 OH2 TIP3W5377 21.349 -23.522 -12.355 1.00 0.00 WT1 O
+ATOM 9211 H1 TIP3W5377 20.790 -22.744 -12.603 1.00 0.00 WT1 H
+ATOM 9212 H2 TIP3W5377 21.648 -23.890 -13.143 1.00 0.00 WT1 H
+ATOM 9213 OH2 TIP3W5378 6.651 -20.068 -12.493 1.00 0.00 WT1 O
+ATOM 9214 H1 TIP3W5378 6.845 -19.134 -12.516 1.00 0.00 WT1 H
+ATOM 9215 H2 TIP3W5378 7.517 -20.459 -12.313 1.00 0.00 WT1 H
+ATOM 9216 OH2 TIP3W5380 16.457 -11.927 -19.100 1.00 0.00 WT1 O
+ATOM 9217 H1 TIP3W5380 16.761 -12.835 -19.037 1.00 0.00 WT1 H
+ATOM 9218 H2 TIP3W5380 17.177 -11.539 -19.533 1.00 0.00 WT1 H
+ATOM 9219 OH2 TIP3W5381 10.118 -1.834 -22.002 1.00 0.00 WT1 O
+ATOM 9220 H1 TIP3W5381 9.555 -2.033 -22.782 1.00 0.00 WT1 H
+ATOM 9221 H2 TIP3W5381 9.708 -0.944 -21.689 1.00 0.00 WT1 H
+ATOM 9222 OH2 TIP3W5382 17.528 -25.026 -6.379 1.00 0.00 WT1 O
+ATOM 9223 H1 TIP3W5382 16.613 -25.117 -5.979 1.00 0.00 WT1 H
+ATOM 9224 H2 TIP3W5382 17.967 -25.907 -6.248 1.00 0.00 WT1 H
+ATOM 9225 OH2 TIP3W5383 21.426 -13.666 -13.669 1.00 0.00 WT1 O
+ATOM 9226 H1 TIP3W5383 21.179 -12.716 -13.783 1.00 0.00 WT1 H
+ATOM 9227 H2 TIP3W5383 20.965 -14.129 -14.393 1.00 0.00 WT1 H
+ATOM 9228 OH2 TIP3W5384 12.989 -24.078 -7.254 1.00 0.00 WT1 O
+ATOM 9229 H1 TIP3W5384 12.402 -24.557 -7.824 1.00 0.00 WT1 H
+ATOM 9230 H2 TIP3W5384 12.750 -23.169 -7.330 1.00 0.00 WT1 H
+ATOM 9231 OH2 TIP3W5385 1.210 -18.089 -7.538 1.00 0.00 WT1 O
+ATOM 9232 H1 TIP3W5385 2.075 -18.374 -7.912 1.00 0.00 WT1 H
+ATOM 9233 H2 TIP3W5385 0.731 -18.912 -7.398 1.00 0.00 WT1 H
+ATOM 9234 OH2 TIP3W5389 19.043 -10.326 17.852 1.00 0.00 WT1 O
+ATOM 9235 H1 TIP3W5389 19.658 -10.470 18.615 1.00 0.00 WT1 H
+ATOM 9236 H2 TIP3W5389 19.446 -9.639 17.285 1.00 0.00 WT1 H
+ATOM 9237 OH2 TIP3W5392 5.788 -16.502 20.135 1.00 0.00 WT1 O
+ATOM 9238 H1 TIP3W5392 6.118 -16.761 19.289 1.00 0.00 WT1 H
+ATOM 9239 H2 TIP3W5392 4.873 -16.560 19.873 1.00 0.00 WT1 H
+ATOM 9240 OH2 TIP3W5393 1.525 -10.407 -16.768 1.00 0.00 WT1 O
+ATOM 9241 H1 TIP3W5393 1.246 -9.771 -16.102 1.00 0.00 WT1 H
+ATOM 9242 H2 TIP3W5393 1.293 -9.979 -17.661 1.00 0.00 WT1 H
+ATOM 9243 OH2 TIP3W5396 10.599 -21.532 -17.699 1.00 0.00 WT1 O
+ATOM 9244 H1 TIP3W5396 9.982 -20.982 -17.158 1.00 0.00 WT1 H
+ATOM 9245 H2 TIP3W5396 9.952 -21.818 -18.421 1.00 0.00 WT1 H
+ATOM 9246 OH2 TIP3W5400 12.010 -14.883 -6.636 1.00 0.00 WT1 O
+ATOM 9247 H1 TIP3W5400 11.623 -14.129 -6.227 1.00 0.00 WT1 H
+ATOM 9248 H2 TIP3W5400 12.245 -14.627 -7.557 1.00 0.00 WT1 H
+ATOM 9249 OH2 TIP3W5401 9.358 -9.962 3.982 1.00 0.00 WT1 O
+ATOM 9250 H1 TIP3W5401 9.152 -9.024 3.811 1.00 0.00 WT1 H
+ATOM 9251 H2 TIP3W5401 8.980 -10.469 3.241 1.00 0.00 WT1 H
+ATOM 9252 OH2 TIP3W5403 5.781 -23.434 2.993 1.00 0.00 WT1 O
+ATOM 9253 H1 TIP3W5403 6.132 -22.538 2.904 1.00 0.00 WT1 H
+ATOM 9254 H2 TIP3W5403 5.976 -23.897 2.152 1.00 0.00 WT1 H
+ATOM 9255 OH2 TIP3W5404 4.104 -19.260 -13.317 1.00 0.00 WT1 O
+ATOM 9256 H1 TIP3W5404 4.897 -19.829 -13.066 1.00 0.00 WT1 H
+ATOM 9257 H2 TIP3W5404 3.860 -18.876 -12.375 1.00 0.00 WT1 H
+ATOM 9258 OH2 TIP3W5406 8.803 -29.260 11.420 1.00 0.00 WT1 O
+ATOM 9259 H1 TIP3W5406 9.103 -28.904 12.312 1.00 0.00 WT1 H
+ATOM 9260 H2 TIP3W5406 9.000 -28.532 10.772 1.00 0.00 WT1 H
+ATOM 9261 OH2 TIP3W5408 16.117 -6.820 7.469 1.00 0.00 WT1 O
+ATOM 9262 H1 TIP3W5408 16.257 -6.045 8.142 1.00 0.00 WT1 H
+ATOM 9263 H2 TIP3W5408 16.512 -7.638 7.876 1.00 0.00 WT1 H
+ATOM 9264 OH2 TIP3W5409 4.848 -7.395 9.382 1.00 0.00 WT1 O
+ATOM 9265 H1 TIP3W5409 4.570 -6.925 10.195 1.00 0.00 WT1 H
+ATOM 9266 H2 TIP3W5409 5.355 -6.702 8.897 1.00 0.00 WT1 H
+ATOM 9267 OH2 TIP3W5410 11.506 -23.314 13.986 1.00 0.00 WT1 O
+ATOM 9268 H1 TIP3W5410 11.043 -23.190 13.189 1.00 0.00 WT1 H
+ATOM 9269 H2 TIP3W5410 12.320 -22.815 13.875 1.00 0.00 WT1 H
+ATOM 9270 OH2 TIP3W5411 8.853 -32.271 18.502 1.00 0.00 WT1 O
+ATOM 9271 H1 TIP3W5411 8.907 -31.393 18.058 1.00 0.00 WT1 H
+ATOM 9272 H2 TIP3W5411 9.221 -32.095 19.408 1.00 0.00 WT1 H
+ATOM 9273 OH2 TIP3W5412 18.996 -29.785 16.831 1.00 0.00 WT1 O
+ATOM 9274 H1 TIP3W5412 19.338 -29.530 15.939 1.00 0.00 WT1 H
+ATOM 9275 H2 TIP3W5412 19.706 -30.372 17.147 1.00 0.00 WT1 H
+ATOM 9276 OH2 TIP3W5418 4.392 -7.659 -18.423 1.00 0.00 WT1 O
+ATOM 9277 H1 TIP3W5418 5.166 -7.075 -18.211 1.00 0.00 WT1 H
+ATOM 9278 H2 TIP3W5418 4.012 -7.216 -19.149 1.00 0.00 WT1 H
+ATOM 9279 OH2 TIP3W5419 21.964 -7.535 -16.499 1.00 0.00 WT1 O
+ATOM 9280 H1 TIP3W5419 20.986 -7.728 -16.590 1.00 0.00 WT1 H
+ATOM 9281 H2 TIP3W5419 22.067 -6.685 -16.933 1.00 0.00 WT1 H
+ATOM 9282 OH2 TIP3W5421 -21.794 -4.156 -6.171 1.00 0.00 WT1 O
+ATOM 9283 H1 TIP3W5421 -21.619 -3.596 -7.002 1.00 0.00 WT1 H
+ATOM 9284 H2 TIP3W5421 -22.264 -4.873 -6.533 1.00 0.00 WT1 H
+ATOM 9285 OH2 TIP3W5423 14.197 -6.826 5.453 1.00 0.00 WT1 O
+ATOM 9286 H1 TIP3W5423 14.568 -6.289 4.748 1.00 0.00 WT1 H
+ATOM 9287 H2 TIP3W5423 14.865 -6.681 6.157 1.00 0.00 WT1 H
+ATOM 9288 OH2 TIP3W5424 16.223 -10.099 1.286 1.00 0.00 WT1 O
+ATOM 9289 H1 TIP3W5424 16.306 -9.240 1.783 1.00 0.00 WT1 H
+ATOM 9290 H2 TIP3W5424 15.283 -10.390 1.603 1.00 0.00 WT1 H
+ATOM 9291 OH2 TIP3W5425 19.132 -19.743 7.155 1.00 0.00 WT1 O
+ATOM 9292 H1 TIP3W5425 18.545 -20.422 6.861 1.00 0.00 WT1 H
+ATOM 9293 H2 TIP3W5425 19.864 -20.200 7.615 1.00 0.00 WT1 H
+ATOM 9294 OH2 TIP3W5426 17.714 -15.870 -15.368 1.00 0.00 WT1 O
+ATOM 9295 H1 TIP3W5426 18.716 -15.864 -15.530 1.00 0.00 WT1 H
+ATOM 9296 H2 TIP3W5426 17.358 -16.727 -15.597 1.00 0.00 WT1 H
+ATOM 9297 OH2 TIP3W5427 19.601 -11.115 3.325 1.00 0.00 WT1 O
+ATOM 9298 H1 TIP3W5427 19.621 -12.088 3.443 1.00 0.00 WT1 H
+ATOM 9299 H2 TIP3W5427 19.051 -10.845 4.039 1.00 0.00 WT1 H
+ATOM 9300 OH2 TIP3W5428 16.900 -19.051 14.827 1.00 0.00 WT1 O
+ATOM 9301 H1 TIP3W5428 17.250 -18.176 15.021 1.00 0.00 WT1 H
+ATOM 9302 H2 TIP3W5428 17.723 -19.484 14.759 1.00 0.00 WT1 H
+ATOM 9303 OH2 TIP3W5429 11.876 -16.434 11.257 1.00 0.00 WT1 O
+ATOM 9304 H1 TIP3W5429 12.562 -15.808 11.340 1.00 0.00 WT1 H
+ATOM 9305 H2 TIP3W5429 11.894 -16.802 12.130 1.00 0.00 WT1 H
+ATOM 9306 OH2 TIP3W5430 9.314 -16.196 -6.393 1.00 0.00 WT1 O
+ATOM 9307 H1 TIP3W5430 9.995 -15.684 -6.802 1.00 0.00 WT1 H
+ATOM 9308 H2 TIP3W5430 8.478 -15.684 -6.532 1.00 0.00 WT1 H
+ATOM 9309 OH2 TIP3W5431 20.421 -24.429 -0.115 1.00 0.00 WT1 O
+ATOM 9310 H1 TIP3W5431 19.543 -24.942 -0.004 1.00 0.00 WT1 H
+ATOM 9311 H2 TIP3W5431 20.830 -24.928 -0.838 1.00 0.00 WT1 H
+ATOM 9312 OH2 TIP3W5433 20.723 27.055 18.933 1.00 0.00 WT1 O
+ATOM 9313 H1 TIP3W5433 20.397 26.258 18.477 1.00 0.00 WT1 H
+ATOM 9314 H2 TIP3W5433 20.055 27.210 19.672 1.00 0.00 WT1 H
+ATOM 9315 OH2 TIP3W5434 18.086 -13.630 -22.275 1.00 0.00 WT1 O
+ATOM 9316 H1 TIP3W5434 17.718 -13.611 -23.138 1.00 0.00 WT1 H
+ATOM 9317 H2 TIP3W5434 18.083 -12.732 -21.935 1.00 0.00 WT1 H
+ATOM 9318 OH2 TIP3W5440 11.899 -13.053 -15.356 1.00 0.00 WT1 O
+ATOM 9319 H1 TIP3W5440 12.749 -13.538 -15.154 1.00 0.00 WT1 H
+ATOM 9320 H2 TIP3W5440 12.227 -12.232 -15.778 1.00 0.00 WT1 H
+ATOM 9321 OH2 TIP3W5443 10.023 -21.665 -6.818 1.00 0.00 WT1 O
+ATOM 9322 H1 TIP3W5443 9.205 -21.218 -7.019 1.00 0.00 WT1 H
+ATOM 9323 H2 TIP3W5443 9.651 -22.343 -6.175 1.00 0.00 WT1 H
+ATOM 9324 OH2 TIP3W5444 8.514 -8.632 -13.737 1.00 0.00 WT1 O
+ATOM 9325 H1 TIP3W5444 7.830 -7.966 -13.975 1.00 0.00 WT1 H
+ATOM 9326 H2 TIP3W5444 8.347 -8.792 -12.827 1.00 0.00 WT1 H
+ATOM 9327 OH2 TIP3W5445 8.624 -0.067 -12.293 1.00 0.00 WT1 O
+ATOM 9328 H1 TIP3W5445 9.146 -0.874 -12.654 1.00 0.00 WT1 H
+ATOM 9329 H2 TIP3W5445 8.595 0.458 -13.095 1.00 0.00 WT1 H
+ATOM 9330 OH2 TIP3W5446 16.976 -17.386 -10.128 1.00 0.00 WT1 O
+ATOM 9331 H1 TIP3W5446 16.839 -16.947 -9.269 1.00 0.00 WT1 H
+ATOM 9332 H2 TIP3W5446 17.885 -17.095 -10.335 1.00 0.00 WT1 H
+ATOM 9333 OH2 TIP3W5448 11.869 -11.675 7.427 1.00 0.00 WT1 O
+ATOM 9334 H1 TIP3W5448 12.168 -12.334 8.063 1.00 0.00 WT1 H
+ATOM 9335 H2 TIP3W5448 11.900 -12.204 6.553 1.00 0.00 WT1 H
+ATOM 9336 OH2 TIP3W5451 19.066 -10.986 14.088 1.00 0.00 WT1 O
+ATOM 9337 H1 TIP3W5451 18.721 -11.778 14.573 1.00 0.00 WT1 H
+ATOM 9338 H2 TIP3W5451 18.237 -10.392 14.129 1.00 0.00 WT1 H
+ATOM 9339 OH2 TIP3W5452 21.412 -9.457 13.614 1.00 0.00 WT1 O
+ATOM 9340 H1 TIP3W5452 20.745 -10.072 13.655 1.00 0.00 WT1 H
+ATOM 9341 H2 TIP3W5452 22.133 -10.031 13.304 1.00 0.00 WT1 H
+ATOM 9342 OH2 TIP3W5453 10.543 -6.299 22.329 1.00 0.00 WT1 O
+ATOM 9343 H1 TIP3W5453 10.712 -7.255 22.417 1.00 0.00 WT1 H
+ATOM 9344 H2 TIP3W5453 9.803 -6.293 21.703 1.00 0.00 WT1 H
+ATOM 9345 OH2 TIP3W5454 12.226 -20.980 10.305 1.00 0.00 WT1 O
+ATOM 9346 H1 TIP3W5454 12.966 -20.500 9.957 1.00 0.00 WT1 H
+ATOM 9347 H2 TIP3W5454 12.365 -20.872 11.261 1.00 0.00 WT1 H
+ATOM 9348 OH2 TIP3W5455 6.421 -8.151 13.453 1.00 0.00 WT1 O
+ATOM 9349 H1 TIP3W5455 6.290 -8.848 14.177 1.00 0.00 WT1 H
+ATOM 9350 H2 TIP3W5455 7.275 -7.757 13.741 1.00 0.00 WT1 H
+ATOM 9351 OH2 TIP3W5456 9.642 -1.780 10.408 1.00 0.00 WT1 O
+ATOM 9352 H1 TIP3W5456 10.086 -0.985 10.705 1.00 0.00 WT1 H
+ATOM 9353 H2 TIP3W5456 10.078 -2.524 10.830 1.00 0.00 WT1 H
+ATOM 9354 OH2 TIP3W5461 20.352 -14.947 -16.154 1.00 0.00 WT1 O
+ATOM 9355 H1 TIP3W5461 20.857 -15.581 -16.641 1.00 0.00 WT1 H
+ATOM 9356 H2 TIP3W5461 20.346 -14.263 -16.782 1.00 0.00 WT1 H
+ATOM 9357 OH2 TIP3W5462 6.775 -6.292 -17.883 1.00 0.00 WT1 O
+ATOM 9358 H1 TIP3W5462 7.602 -6.852 -17.751 1.00 0.00 WT1 H
+ATOM 9359 H2 TIP3W5462 7.004 -5.425 -17.418 1.00 0.00 WT1 H
+ATOM 9360 OH2 TIP3W5463 2.394 -5.831 -11.848 1.00 0.00 WT1 O
+ATOM 9361 H1 TIP3W5463 2.684 -6.321 -11.027 1.00 0.00 WT1 H
+ATOM 9362 H2 TIP3W5463 1.461 -6.127 -11.972 1.00 0.00 WT1 H
+ATOM 9363 OH2 TIP3W5465 20.258 -3.163 3.719 1.00 0.00 WT1 O
+ATOM 9364 H1 TIP3W5465 20.598 -3.991 3.479 1.00 0.00 WT1 H
+ATOM 9365 H2 TIP3W5465 20.308 -2.690 2.842 1.00 0.00 WT1 H
+ATOM 9366 OH2 TIP3W5466 10.139 -15.459 -15.211 1.00 0.00 WT1 O
+ATOM 9367 H1 TIP3W5466 10.858 -16.105 -15.240 1.00 0.00 WT1 H
+ATOM 9368 H2 TIP3W5466 10.626 -14.599 -15.328 1.00 0.00 WT1 H
+ATOM 9369 OH2 TIP3W5468 14.507 -0.959 0.511 1.00 0.00 WT1 O
+ATOM 9370 H1 TIP3W5468 15.257 -0.933 1.100 1.00 0.00 WT1 H
+ATOM 9371 H2 TIP3W5468 14.530 -0.119 0.036 1.00 0.00 WT1 H
+ATOM 9372 OH2 TIP3W5470 2.891 -11.347 9.316 1.00 0.00 WT1 O
+ATOM 9373 H1 TIP3W5470 2.994 -11.519 10.253 1.00 0.00 WT1 H
+ATOM 9374 H2 TIP3W5470 2.811 -10.417 9.160 1.00 0.00 WT1 H
+ATOM 9375 OH2 TIP3W5472 -0.814 -11.686 10.102 1.00 0.00 WT1 O
+ATOM 9376 H1 TIP3W5472 -1.729 -11.535 10.099 1.00 0.00 WT1 H
+ATOM 9377 H2 TIP3W5472 -0.475 -10.844 9.709 1.00 0.00 WT1 H
+ATOM 9378 OH2 TIP3W5473 7.564 -14.757 10.917 1.00 0.00 WT1 O
+ATOM 9379 H1 TIP3W5473 7.912 -14.643 11.775 1.00 0.00 WT1 H
+ATOM 9380 H2 TIP3W5473 6.857 -14.049 10.903 1.00 0.00 WT1 H
+ATOM 9381 OH2 TIP3W5484 8.635 -12.920 -4.466 1.00 0.00 WT1 O
+ATOM 9382 H1 TIP3W5484 8.009 -13.331 -3.892 1.00 0.00 WT1 H
+ATOM 9383 H2 TIP3W5484 9.413 -13.365 -4.219 1.00 0.00 WT1 H
+ATOM 9384 OH2 TIP3W5487 17.753 -19.910 -8.823 1.00 0.00 WT1 O
+ATOM 9385 H1 TIP3W5487 17.669 -19.048 -9.255 1.00 0.00 WT1 H
+ATOM 9386 H2 TIP3W5487 16.851 -20.245 -8.922 1.00 0.00 WT1 H
+ATOM 9387 OH2 TIP3W5488 21.551 6.305 -7.235 1.00 0.00 WT1 O
+ATOM 9388 H1 TIP3W5488 21.997 6.421 -8.089 1.00 0.00 WT1 H
+ATOM 9389 H2 TIP3W5488 21.715 7.184 -6.771 1.00 0.00 WT1 H
+ATOM 9390 OH2 TIP3W5489 9.296 -1.451 1.971 1.00 0.00 WT1 O
+ATOM 9391 H1 TIP3W5489 8.415 -1.361 2.271 1.00 0.00 WT1 H
+ATOM 9392 H2 TIP3W5489 9.190 -2.122 1.261 1.00 0.00 WT1 H
+ATOM 9393 OH2 TIP3W5490 10.761 -6.365 8.976 1.00 0.00 WT1 O
+ATOM 9394 H1 TIP3W5490 10.524 -5.604 8.415 1.00 0.00 WT1 H
+ATOM 9395 H2 TIP3W5490 10.009 -6.905 8.934 1.00 0.00 WT1 H
+ATOM 9396 OH2 TIP3W5493 13.591 -8.071 20.833 1.00 0.00 WT1 O
+ATOM 9397 H1 TIP3W5493 12.790 -8.145 20.295 1.00 0.00 WT1 H
+ATOM 9398 H2 TIP3W5493 13.685 -9.018 21.043 1.00 0.00 WT1 H
+ATOM 9399 OH2 TIP3W5497 17.797 -5.198 2.001 1.00 0.00 WT1 O
+ATOM 9400 H1 TIP3W5497 18.429 -5.856 1.743 1.00 0.00 WT1 H
+ATOM 9401 H2 TIP3W5497 17.784 -4.627 1.238 1.00 0.00 WT1 H
+ATOM 9402 OH2 TIP3W5501 16.210 1.406 19.945 1.00 0.00 WT1 O
+ATOM 9403 H1 TIP3W5501 15.328 1.469 20.238 1.00 0.00 WT1 H
+ATOM 9404 H2 TIP3W5501 16.441 0.473 20.194 1.00 0.00 WT1 H
+ATOM 9405 OH2 TIP3W5504 19.806 -8.328 -4.981 1.00 0.00 WT1 O
+ATOM 9406 H1 TIP3W5504 19.754 -7.371 -4.901 1.00 0.00 WT1 H
+ATOM 9407 H2 TIP3W5504 20.304 -8.487 -5.825 1.00 0.00 WT1 H
+ATOM 9408 OH2 TIP3W5505 9.795 -3.126 -6.363 1.00 0.00 WT1 O
+ATOM 9409 H1 TIP3W5505 8.931 -3.604 -6.382 1.00 0.00 WT1 H
+ATOM 9410 H2 TIP3W5505 10.124 -3.253 -7.232 1.00 0.00 WT1 H
+ATOM 9411 OH2 TIP3W5507 18.944 9.959 -12.156 1.00 0.00 WT1 O
+ATOM 9412 H1 TIP3W5507 18.516 10.690 -11.582 1.00 0.00 WT1 H
+ATOM 9413 H2 TIP3W5507 18.175 9.571 -12.567 1.00 0.00 WT1 H
+ATOM 9414 OH2 TIP3W5508 9.900 4.128 10.078 1.00 0.00 WT1 O
+ATOM 9415 H1 TIP3W5508 10.623 3.922 10.677 1.00 0.00 WT1 H
+ATOM 9416 H2 TIP3W5508 10.183 3.776 9.231 1.00 0.00 WT1 H
+ATOM 9417 OH2 TIP3W5509 9.961 14.306 1.648 1.00 0.00 WT1 O
+ATOM 9418 H1 TIP3W5509 10.522 14.666 0.925 1.00 0.00 WT1 H
+ATOM 9419 H2 TIP3W5509 9.206 14.950 1.735 1.00 0.00 WT1 H
+ATOM 9420 OH2 TIP3W5510 17.652 12.102 -10.831 1.00 0.00 WT1 O
+ATOM 9421 H1 TIP3W5510 17.439 12.455 -11.766 1.00 0.00 WT1 H
+ATOM 9422 H2 TIP3W5510 18.206 12.839 -10.447 1.00 0.00 WT1 H
+ATOM 9423 OH2 TIP3W5511 11.783 -19.756 15.670 1.00 0.00 WT1 O
+ATOM 9424 H1 TIP3W5511 10.839 -19.960 15.554 1.00 0.00 WT1 H
+ATOM 9425 H2 TIP3W5511 11.857 -19.854 16.620 1.00 0.00 WT1 H
+ATOM 9426 OH2 TIP3W5514 12.364 -8.613 8.232 1.00 0.00 WT1 O
+ATOM 9427 H1 TIP3W5514 12.212 -7.642 8.307 1.00 0.00 WT1 H
+ATOM 9428 H2 TIP3W5514 11.813 -8.994 8.846 1.00 0.00 WT1 H
+ATOM 9429 OH2 TIP3W5520 19.882 -2.470 18.058 1.00 0.00 WT1 O
+ATOM 9430 H1 TIP3W5520 19.282 -2.255 17.356 1.00 0.00 WT1 H
+ATOM 9431 H2 TIP3W5520 19.267 -2.714 18.794 1.00 0.00 WT1 H
+ATOM 9432 OH2 TIP3W5522 16.450 2.207 -21.193 1.00 0.00 WT1 O
+ATOM 9433 H1 TIP3W5522 17.143 1.521 -21.211 1.00 0.00 WT1 H
+ATOM 9434 H2 TIP3W5522 16.888 2.990 -20.820 1.00 0.00 WT1 H
+ATOM 9435 OH2 TIP3W5528 8.549 -10.178 -4.515 1.00 0.00 WT1 O
+ATOM 9436 H1 TIP3W5528 8.692 -11.054 -4.961 1.00 0.00 WT1 H
+ATOM 9437 H2 TIP3W5528 9.425 -9.808 -4.549 1.00 0.00 WT1 H
+ATOM 9438 OH2 TIP3W5530 9.584 6.632 -2.038 1.00 0.00 WT1 O
+ATOM 9439 H1 TIP3W5530 10.113 5.802 -2.207 1.00 0.00 WT1 H
+ATOM 9440 H2 TIP3W5530 9.437 6.939 -2.952 1.00 0.00 WT1 H
+ATOM 9441 OH2 TIP3W5531 13.276 2.108 1.883 1.00 0.00 WT1 O
+ATOM 9442 H1 TIP3W5531 13.579 2.098 0.908 1.00 0.00 WT1 H
+ATOM 9443 H2 TIP3W5531 12.445 1.684 1.817 1.00 0.00 WT1 H
+ATOM 9444 OH2 TIP3W5532 20.286 10.554 4.886 1.00 0.00 WT1 O
+ATOM 9445 H1 TIP3W5532 19.948 9.722 5.198 1.00 0.00 WT1 H
+ATOM 9446 H2 TIP3W5532 19.801 10.768 4.038 1.00 0.00 WT1 H
+ATOM 9447 OH2 TIP3W5535 20.777 2.867 0.720 1.00 0.00 WT1 O
+ATOM 9448 H1 TIP3W5535 21.062 2.237 0.061 1.00 0.00 WT1 H
+ATOM 9449 H2 TIP3W5535 20.777 2.359 1.546 1.00 0.00 WT1 H
+ATOM 9450 OH2 TIP3W5537 11.953 -1.896 6.231 1.00 0.00 WT1 O
+ATOM 9451 H1 TIP3W5537 12.239 -2.352 7.037 1.00 0.00 WT1 H
+ATOM 9452 H2 TIP3W5537 12.716 -1.281 6.077 1.00 0.00 WT1 H
+ATOM 9453 OH2 TIP3W5539 15.913 10.071 22.624 1.00 0.00 WT1 O
+ATOM 9454 H1 TIP3W5539 16.529 9.479 22.996 1.00 0.00 WT1 H
+ATOM 9455 H2 TIP3W5539 16.429 10.929 22.631 1.00 0.00 WT1 H
+ATOM 9456 OH2 TIP3W5545 7.249 3.191 -16.833 1.00 0.00 WT1 O
+ATOM 9457 H1 TIP3W5545 6.805 3.998 -17.081 1.00 0.00 WT1 H
+ATOM 9458 H2 TIP3W5545 6.630 2.453 -17.127 1.00 0.00 WT1 H
+ATOM 9459 OH2 TIP3W5548 13.091 19.470 -11.924 1.00 0.00 WT1 O
+ATOM 9460 H1 TIP3W5548 13.709 20.070 -11.468 1.00 0.00 WT1 H
+ATOM 9461 H2 TIP3W5548 13.682 18.978 -12.575 1.00 0.00 WT1 H
+ATOM 9462 OH2 TIP3W5550 14.695 -0.726 -8.954 1.00 0.00 WT1 O
+ATOM 9463 H1 TIP3W5550 14.934 0.035 -9.535 1.00 0.00 WT1 H
+ATOM 9464 H2 TIP3W5550 15.354 -1.302 -9.318 1.00 0.00 WT1 H
+ATOM 9465 OH2 TIP3W5551 16.705 -0.385 -5.656 1.00 0.00 WT1 O
+ATOM 9466 H1 TIP3W5551 16.809 -1.268 -6.027 1.00 0.00 WT1 H
+ATOM 9467 H2 TIP3W5551 16.387 -0.523 -4.724 1.00 0.00 WT1 H
+ATOM 9468 OH2 TIP3W5552 20.767 1.947 -5.030 1.00 0.00 WT1 O
+ATOM 9469 H1 TIP3W5552 19.932 1.816 -4.564 1.00 0.00 WT1 H
+ATOM 9470 H2 TIP3W5552 21.119 1.089 -5.114 1.00 0.00 WT1 H
+ATOM 9471 OH2 TIP3W5553 21.714 -0.961 -4.973 1.00 0.00 WT1 O
+ATOM 9472 H1 TIP3W5553 22.206 -1.513 -5.614 1.00 0.00 WT1 H
+ATOM 9473 H2 TIP3W5553 22.247 -1.039 -4.150 1.00 0.00 WT1 H
+ATOM 9474 OH2 TIP3W5554 15.057 13.864 1.100 1.00 0.00 WT1 O
+ATOM 9475 H1 TIP3W5554 15.975 13.789 0.744 1.00 0.00 WT1 H
+ATOM 9476 H2 TIP3W5554 14.493 13.409 0.438 1.00 0.00 WT1 H
+ATOM 9477 OH2 TIP3W5555 16.658 2.315 13.343 1.00 0.00 WT1 O
+ATOM 9478 H1 TIP3W5555 16.590 1.375 13.361 1.00 0.00 WT1 H
+ATOM 9479 H2 TIP3W5555 17.597 2.472 13.076 1.00 0.00 WT1 H
+ATOM 9480 OH2 TIP3W5557 16.411 4.669 15.311 1.00 0.00 WT1 O
+ATOM 9481 H1 TIP3W5557 16.573 4.123 14.507 1.00 0.00 WT1 H
+ATOM 9482 H2 TIP3W5557 15.584 4.310 15.743 1.00 0.00 WT1 H
+ATOM 9483 OH2 TIP3W5558 6.363 17.938 0.405 1.00 0.00 WT1 O
+ATOM 9484 H1 TIP3W5558 5.498 18.090 0.882 1.00 0.00 WT1 H
+ATOM 9485 H2 TIP3W5558 6.380 17.004 0.153 1.00 0.00 WT1 H
+ATOM 9486 OH2 TIP3W5560 10.718 10.461 8.688 1.00 0.00 WT1 O
+ATOM 9487 H1 TIP3W5560 10.207 10.340 7.841 1.00 0.00 WT1 H
+ATOM 9488 H2 TIP3W5560 11.634 10.076 8.513 1.00 0.00 WT1 H
+ATOM 9489 OH2 TIP3W5566 9.320 2.117 -14.324 1.00 0.00 WT1 O
+ATOM 9490 H1 TIP3W5566 9.058 2.872 -13.830 1.00 0.00 WT1 H
+ATOM 9491 H2 TIP3W5566 9.913 2.569 -14.953 1.00 0.00 WT1 H
+ATOM 9492 OH2 TIP3W5567 14.677 15.135 -20.975 1.00 0.00 WT1 O
+ATOM 9493 H1 TIP3W5567 13.943 14.574 -21.335 1.00 0.00 WT1 H
+ATOM 9494 H2 TIP3W5567 14.250 15.977 -20.684 1.00 0.00 WT1 H
+ATOM 9495 OH2 TIP3W5568 9.574 11.181 -9.985 1.00 0.00 WT1 O
+ATOM 9496 H1 TIP3W5568 9.660 12.089 -9.635 1.00 0.00 WT1 H
+ATOM 9497 H2 TIP3W5568 10.453 10.833 -9.654 1.00 0.00 WT1 H
+ATOM 9498 OH2 TIP3W5569 13.309 18.868 -6.980 1.00 0.00 WT1 O
+ATOM 9499 H1 TIP3W5569 13.366 19.363 -7.828 1.00 0.00 WT1 H
+ATOM 9500 H2 TIP3W5569 13.322 19.608 -6.365 1.00 0.00 WT1 H
+ATOM 9501 OH2 TIP3W5571 17.352 2.525 -8.833 1.00 0.00 WT1 O
+ATOM 9502 H1 TIP3W5571 17.601 2.543 -7.938 1.00 0.00 WT1 H
+ATOM 9503 H2 TIP3W5571 17.221 3.470 -9.049 1.00 0.00 WT1 H
+ATOM 9504 OH2 TIP3W5572 16.544 7.707 -1.405 1.00 0.00 WT1 O
+ATOM 9505 H1 TIP3W5572 15.767 7.299 -1.811 1.00 0.00 WT1 H
+ATOM 9506 H2 TIP3W5572 16.138 8.474 -0.961 1.00 0.00 WT1 H
+ATOM 9507 OH2 TIP3W5574 10.113 12.729 5.533 1.00 0.00 WT1 O
+ATOM 9508 H1 TIP3W5574 9.963 11.820 5.150 1.00 0.00 WT1 H
+ATOM 9509 H2 TIP3W5574 11.050 12.641 5.916 1.00 0.00 WT1 H
+ATOM 9510 OH2 TIP3W5590 3.548 20.346 -11.534 1.00 0.00 WT1 O
+ATOM 9511 H1 TIP3W5590 3.388 19.403 -11.332 1.00 0.00 WT1 H
+ATOM 9512 H2 TIP3W5590 3.937 20.327 -12.388 1.00 0.00 WT1 H
+ATOM 9513 OH2 TIP3W5591 21.376 9.275 -11.245 1.00 0.00 WT1 O
+ATOM 9514 H1 TIP3W5591 21.381 9.370 -10.270 1.00 0.00 WT1 H
+ATOM 9515 H2 TIP3W5591 20.432 9.404 -11.509 1.00 0.00 WT1 H
+ATOM 9516 OH2 TIP3W5592 6.264 26.068 -10.843 1.00 0.00 WT1 O
+ATOM 9517 H1 TIP3W5592 6.356 25.562 -10.032 1.00 0.00 WT1 H
+ATOM 9518 H2 TIP3W5592 6.899 25.515 -11.413 1.00 0.00 WT1 H
+ATOM 9519 OH2 TIP3W5593 11.176 19.693 3.463 1.00 0.00 WT1 O
+ATOM 9520 H1 TIP3W5593 11.193 19.081 2.733 1.00 0.00 WT1 H
+ATOM 9521 H2 TIP3W5593 10.511 19.226 4.067 1.00 0.00 WT1 H
+ATOM 9522 OH2 TIP3W5594 8.024 11.324 0.802 1.00 0.00 WT1 O
+ATOM 9523 H1 TIP3W5594 8.061 10.557 0.220 1.00 0.00 WT1 H
+ATOM 9524 H2 TIP3W5594 7.215 11.065 1.376 1.00 0.00 WT1 H
+ATOM 9525 OH2 TIP3W5595 2.119 25.078 -5.684 1.00 0.00 WT1 O
+ATOM 9526 H1 TIP3W5595 1.258 24.793 -6.106 1.00 0.00 WT1 H
+ATOM 9527 H2 TIP3W5595 1.842 25.773 -5.089 1.00 0.00 WT1 H
+ATOM 9528 OH2 TIP3W5597 12.163 22.514 18.477 1.00 0.00 WT1 O
+ATOM 9529 H1 TIP3W5597 11.665 23.027 19.173 1.00 0.00 WT1 H
+ATOM 9530 H2 TIP3W5597 12.181 21.605 18.880 1.00 0.00 WT1 H
+ATOM 9531 OH2 TIP3W5600 1.240 20.153 14.750 1.00 0.00 WT1 O
+ATOM 9532 H1 TIP3W5600 0.656 20.405 14.044 1.00 0.00 WT1 H
+ATOM 9533 H2 TIP3W5600 0.953 20.744 15.476 1.00 0.00 WT1 H
+ATOM 9534 OH2 TIP3W5604 15.034 15.683 16.628 1.00 0.00 WT1 O
+ATOM 9535 H1 TIP3W5604 15.250 16.574 16.415 1.00 0.00 WT1 H
+ATOM 9536 H2 TIP3W5604 14.934 15.745 17.561 1.00 0.00 WT1 H
+ATOM 9537 OH2 TIP3W5605 14.317 22.757 21.825 1.00 0.00 WT1 O
+ATOM 9538 H1 TIP3W5605 14.338 22.729 20.894 1.00 0.00 WT1 H
+ATOM 9539 H2 TIP3W5605 13.986 23.677 22.028 1.00 0.00 WT1 H
+ATOM 9540 OH2 TIP3W5606 4.144 24.588 -18.835 1.00 0.00 WT1 O
+ATOM 9541 H1 TIP3W5606 4.255 23.581 -18.913 1.00 0.00 WT1 H
+ATOM 9542 H2 TIP3W5606 4.576 24.830 -18.009 1.00 0.00 WT1 H
+ATOM 9543 OH2 TIP3W5607 7.483 2.901 -21.115 1.00 0.00 WT1 O
+ATOM 9544 H1 TIP3W5607 7.897 2.885 -21.948 1.00 0.00 WT1 H
+ATOM 9545 H2 TIP3W5607 6.927 2.141 -21.062 1.00 0.00 WT1 H
+ATOM 9546 OH2 TIP3W5608 17.715 17.373 -22.273 1.00 0.00 WT1 O
+ATOM 9547 H1 TIP3W5608 17.718 17.963 -23.054 1.00 0.00 WT1 H
+ATOM 9548 H2 TIP3W5608 18.624 17.345 -21.940 1.00 0.00 WT1 H
+ATOM 9549 OH2 TIP3W5609 8.468 8.278 -19.200 1.00 0.00 WT1 O
+ATOM 9550 H1 TIP3W5609 8.553 8.859 -18.429 1.00 0.00 WT1 H
+ATOM 9551 H2 TIP3W5609 8.663 8.845 -19.960 1.00 0.00 WT1 H
+ATOM 9552 OH2 TIP3W5610 13.314 3.810 -12.424 1.00 0.00 WT1 O
+ATOM 9553 H1 TIP3W5610 12.855 3.480 -11.652 1.00 0.00 WT1 H
+ATOM 9554 H2 TIP3W5610 13.233 3.075 -13.077 1.00 0.00 WT1 H
+ATOM 9555 OH2 TIP3W5611 12.060 12.866 -3.858 1.00 0.00 WT1 O
+ATOM 9556 H1 TIP3W5611 11.663 11.982 -4.132 1.00 0.00 WT1 H
+ATOM 9557 H2 TIP3W5611 11.272 13.328 -3.627 1.00 0.00 WT1 H
+ATOM 9558 OH2 TIP3W5613 17.005 3.990 -1.158 1.00 0.00 WT1 O
+ATOM 9559 H1 TIP3W5613 16.250 4.099 -1.828 1.00 0.00 WT1 H
+ATOM 9560 H2 TIP3W5613 16.866 4.771 -0.547 1.00 0.00 WT1 H
+ATOM 9561 OH2 TIP3W5614 18.623 23.194 -8.352 1.00 0.00 WT1 O
+ATOM 9562 H1 TIP3W5614 19.573 23.162 -8.048 1.00 0.00 WT1 H
+ATOM 9563 H2 TIP3W5614 18.296 23.988 -7.838 1.00 0.00 WT1 H
+ATOM 9564 OH2 TIP3W5615 22.401 26.254 -15.943 1.00 0.00 WT1 O
+ATOM 9565 H1 TIP3W5615 22.097 26.754 -15.210 1.00 0.00 WT1 H
+ATOM 9566 H2 TIP3W5615 21.888 25.412 -15.915 1.00 0.00 WT1 H
+ATOM 9567 OH2 TIP3W5616 16.985 22.655 -4.393 1.00 0.00 WT1 O
+ATOM 9568 H1 TIP3W5616 17.900 22.952 -4.534 1.00 0.00 WT1 H
+ATOM 9569 H2 TIP3W5616 17.048 21.687 -4.278 1.00 0.00 WT1 H
+ATOM 9570 OH2 TIP3W5617 16.469 13.997 3.996 1.00 0.00 WT1 O
+ATOM 9571 H1 TIP3W5617 15.614 14.269 4.381 1.00 0.00 WT1 H
+ATOM 9572 H2 TIP3W5617 16.274 13.916 3.044 1.00 0.00 WT1 H
+ATOM 9573 OH2 TIP3W5619 16.562 12.312 16.679 1.00 0.00 WT1 O
+ATOM 9574 H1 TIP3W5619 16.290 12.201 15.771 1.00 0.00 WT1 H
+ATOM 9575 H2 TIP3W5619 15.724 12.142 17.124 1.00 0.00 WT1 H
+ATOM 9576 OH2 TIP3W5620 13.279 25.851 19.293 1.00 0.00 WT1 O
+ATOM 9577 H1 TIP3W5620 13.903 25.672 18.573 1.00 0.00 WT1 H
+ATOM 9578 H2 TIP3W5620 13.718 25.517 20.062 1.00 0.00 WT1 H
+ATOM 9579 OH2 TIP3W5621 16.097 28.600 12.447 1.00 0.00 WT1 O
+ATOM 9580 H1 TIP3W5621 16.072 29.373 13.063 1.00 0.00 WT1 H
+ATOM 9581 H2 TIP3W5621 15.353 28.726 11.891 1.00 0.00 WT1 H
+ATOM 9582 OH2 TIP3W5623 18.274 17.374 13.622 1.00 0.00 WT1 O
+ATOM 9583 H1 TIP3W5623 18.130 18.293 13.412 1.00 0.00 WT1 H
+ATOM 9584 H2 TIP3W5623 18.087 16.921 12.816 1.00 0.00 WT1 H
+ATOM 9585 OH2 TIP3W5628 2.115 11.721 13.209 1.00 0.00 WT1 O
+ATOM 9586 H1 TIP3W5628 1.695 11.046 12.658 1.00 0.00 WT1 H
+ATOM 9587 H2 TIP3W5628 2.616 11.206 13.813 1.00 0.00 WT1 H
+ATOM 9588 OH2 TIP3W5631 19.921 16.757 -20.633 1.00 0.00 WT1 O
+ATOM 9589 H1 TIP3W5631 20.061 15.889 -20.399 1.00 0.00 WT1 H
+ATOM 9590 H2 TIP3W5631 20.608 17.173 -20.108 1.00 0.00 WT1 H
+ATOM 9591 OH2 TIP3W5633 17.252 12.968 -13.362 1.00 0.00 WT1 O
+ATOM 9592 H1 TIP3W5633 17.171 13.941 -13.223 1.00 0.00 WT1 H
+ATOM 9593 H2 TIP3W5633 16.769 12.754 -14.240 1.00 0.00 WT1 H
+ATOM 9594 OH2 TIP3W5634 8.119 24.662 0.902 1.00 0.00 WT1 O
+ATOM 9595 H1 TIP3W5634 8.526 25.383 0.417 1.00 0.00 WT1 H
+ATOM 9596 H2 TIP3W5634 8.781 23.945 0.955 1.00 0.00 WT1 H
+ATOM 9597 OH2 TIP3W5635 20.339 28.254 -2.355 1.00 0.00 WT1 O
+ATOM 9598 H1 TIP3W5635 19.744 27.821 -1.696 1.00 0.00 WT1 H
+ATOM 9599 H2 TIP3W5635 21.153 27.819 -2.132 1.00 0.00 WT1 H
+ATOM 9600 OH2 TIP3W5636 2.900 23.430 -1.467 1.00 0.00 WT1 O
+ATOM 9601 H1 TIP3W5636 3.052 22.667 -0.824 1.00 0.00 WT1 H
+ATOM 9602 H2 TIP3W5636 3.723 23.542 -1.811 1.00 0.00 WT1 H
+ATOM 9603 OH2 TIP3W5638 18.121 11.598 6.058 1.00 0.00 WT1 O
+ATOM 9604 H1 TIP3W5638 18.938 11.174 5.735 1.00 0.00 WT1 H
+ATOM 9605 H2 TIP3W5638 18.283 11.491 6.986 1.00 0.00 WT1 H
+ATOM 9606 OH2 TIP3W5639 11.206 15.734 11.775 1.00 0.00 WT1 O
+ATOM 9607 H1 TIP3W5639 11.510 16.654 11.692 1.00 0.00 WT1 H
+ATOM 9608 H2 TIP3W5639 11.201 15.403 10.837 1.00 0.00 WT1 H
+ATOM 9609 OH2 TIP3W5641 12.496 13.992 18.717 1.00 0.00 WT1 O
+ATOM 9610 H1 TIP3W5641 12.153 13.634 19.530 1.00 0.00 WT1 H
+ATOM 9611 H2 TIP3W5641 13.289 14.487 18.970 1.00 0.00 WT1 H
+ATOM 9612 OH2 TIP3W5643 10.996 12.718 16.504 1.00 0.00 WT1 O
+ATOM 9613 H1 TIP3W5643 11.284 13.234 15.743 1.00 0.00 WT1 H
+ATOM 9614 H2 TIP3W5643 11.546 13.041 17.253 1.00 0.00 WT1 H
+ATOM 9615 OH2 TIP3W5647 10.314 26.143 -11.641 1.00 0.00 WT1 O
+ATOM 9616 H1 TIP3W5647 9.534 25.860 -12.123 1.00 0.00 WT1 H
+ATOM 9617 H2 TIP3W5647 10.085 26.998 -11.192 1.00 0.00 WT1 H
+ATOM 9618 OH2 TIP3W5653 17.756 20.460 -16.293 1.00 0.00 WT1 O
+ATOM 9619 H1 TIP3W5653 17.082 21.019 -15.951 1.00 0.00 WT1 H
+ATOM 9620 H2 TIP3W5653 17.332 19.557 -16.261 1.00 0.00 WT1 H
+ATOM 9621 OH2 TIP3W5655 18.031 20.642 -9.368 1.00 0.00 WT1 O
+ATOM 9622 H1 TIP3W5655 18.174 21.584 -9.147 1.00 0.00 WT1 H
+ATOM 9623 H2 TIP3W5655 17.726 20.330 -8.463 1.00 0.00 WT1 H
+ATOM 9624 OH2 TIP3W5656 3.946 25.260 -12.427 1.00 0.00 WT1 O
+ATOM 9625 H1 TIP3W5656 4.755 25.607 -11.950 1.00 0.00 WT1 H
+ATOM 9626 H2 TIP3W5656 3.310 25.052 -11.678 1.00 0.00 WT1 H
+ATOM 9627 OH2 TIP3W5659 19.056 22.120 10.305 1.00 0.00 WT1 O
+ATOM 9628 H1 TIP3W5659 19.511 22.883 10.077 1.00 0.00 WT1 H
+ATOM 9629 H2 TIP3W5659 19.693 21.360 10.268 1.00 0.00 WT1 H
+ATOM 9630 OH2 TIP3W5660 14.906 26.192 8.677 1.00 0.00 WT1 O
+ATOM 9631 H1 TIP3W5660 14.531 25.290 8.782 1.00 0.00 WT1 H
+ATOM 9632 H2 TIP3W5660 15.527 26.213 9.455 1.00 0.00 WT1 H
+ATOM 9633 OH2 TIP3W5661 19.998 13.953 5.463 1.00 0.00 WT1 O
+ATOM 9634 H1 TIP3W5661 19.642 14.817 5.224 1.00 0.00 WT1 H
+ATOM 9635 H2 TIP3W5661 19.187 13.440 5.616 1.00 0.00 WT1 H
+ATOM 9636 OH2 TIP3W5662 15.735 20.072 13.561 1.00 0.00 WT1 O
+ATOM 9637 H1 TIP3W5662 16.627 20.143 13.134 1.00 0.00 WT1 H
+ATOM 9638 H2 TIP3W5662 15.242 19.713 12.780 1.00 0.00 WT1 H
+ATOM 9639 OH2 TIP3W5663 15.618 26.447 14.447 1.00 0.00 WT1 O
+ATOM 9640 H1 TIP3W5663 14.941 27.110 14.190 1.00 0.00 WT1 H
+ATOM 9641 H2 TIP3W5663 16.500 26.739 14.169 1.00 0.00 WT1 H
+ATOM 9642 OH2 TIP3W5665 20.671 22.250 18.614 1.00 0.00 WT1 O
+ATOM 9643 H1 TIP3W5665 20.560 22.615 19.481 1.00 0.00 WT1 H
+ATOM 9644 H2 TIP3W5665 19.780 21.957 18.330 1.00 0.00 WT1 H
+ATOM 9645 OH2 TIP3W5667 13.890 15.093 4.609 1.00 0.00 WT1 O
+ATOM 9646 H1 TIP3W5667 13.611 15.294 5.506 1.00 0.00 WT1 H
+ATOM 9647 H2 TIP3W5667 13.368 14.305 4.335 1.00 0.00 WT1 H
+ATOM 9648 OH2 TIP3W5669 15.925 -30.361 -17.646 1.00 0.00 WT1 O
+ATOM 9649 H1 TIP3W5669 15.303 -29.826 -18.126 1.00 0.00 WT1 H
+ATOM 9650 H2 TIP3W5669 15.413 -30.639 -16.930 1.00 0.00 WT1 H
+ATOM 9651 OH2 TIP3W5673 9.452 30.152 -15.631 1.00 0.00 WT1 O
+ATOM 9652 H1 TIP3W5673 9.793 29.728 -14.791 1.00 0.00 WT1 H
+ATOM 9653 H2 TIP3W5673 8.734 29.660 -16.001 1.00 0.00 WT1 H
+ATOM 9654 OH2 TIP3W5674 -1.570 28.600 -12.472 1.00 0.00 WT1 O
+ATOM 9655 H1 TIP3W5674 -2.103 29.346 -12.137 1.00 0.00 WT1 H
+ATOM 9656 H2 TIP3W5674 -1.508 28.060 -11.701 1.00 0.00 WT1 H
+ATOM 9657 OH2 TIP3W5675 20.572 15.607 -4.381 1.00 0.00 WT1 O
+ATOM 9658 H1 TIP3W5675 19.975 16.217 -3.895 1.00 0.00 WT1 H
+ATOM 9659 H2 TIP3W5675 20.655 15.960 -5.267 1.00 0.00 WT1 H
+ATOM 9660 OH2 TIP3W5676 14.452 -28.170 -12.824 1.00 0.00 WT1 O
+ATOM 9661 H1 TIP3W5676 15.341 -27.869 -13.134 1.00 0.00 WT1 H
+ATOM 9662 H2 TIP3W5676 13.980 -27.357 -12.968 1.00 0.00 WT1 H
+ATOM 9663 OH2 TIP3W5678 21.699 -29.974 -4.462 1.00 0.00 WT1 O
+ATOM 9664 H1 TIP3W5678 22.273 -30.505 -3.778 1.00 0.00 WT1 H
+ATOM 9665 H2 TIP3W5678 22.299 -29.253 -4.710 1.00 0.00 WT1 H
+ATOM 9666 OH2 TIP3W5679 19.730 -21.933 -5.629 1.00 0.00 WT1 O
+ATOM 9667 H1 TIP3W5679 18.920 -21.921 -5.144 1.00 0.00 WT1 H
+ATOM 9668 H2 TIP3W5679 19.768 -21.049 -6.127 1.00 0.00 WT1 H
+ATOM 9669 OH2 TIP3W5680 8.270 25.795 3.514 1.00 0.00 WT1 O
+ATOM 9670 H1 TIP3W5680 7.836 25.659 2.650 1.00 0.00 WT1 H
+ATOM 9671 H2 TIP3W5680 8.193 24.947 4.048 1.00 0.00 WT1 H
+ATOM 9672 OH2 TIP3W5681 12.883 15.893 9.049 1.00 0.00 WT1 O
+ATOM 9673 H1 TIP3W5681 12.123 15.260 8.900 1.00 0.00 WT1 H
+ATOM 9674 H2 TIP3W5681 13.536 15.541 8.404 1.00 0.00 WT1 H
+ATOM 9675 OH2 TIP3W5682 22.416 16.490 9.576 1.00 0.00 WT1 O
+ATOM 9676 H1 TIP3W5682 21.640 16.440 9.094 1.00 0.00 WT1 H
+ATOM 9677 H2 TIP3W5682 22.119 16.950 10.369 1.00 0.00 WT1 H
+ATOM 9678 OH2 TIP3W5684 13.965 16.482 13.652 1.00 0.00 WT1 O
+ATOM 9679 H1 TIP3W5684 14.842 16.484 13.183 1.00 0.00 WT1 H
+ATOM 9680 H2 TIP3W5684 14.099 15.711 14.241 1.00 0.00 WT1 H
+ATOM 9681 OH2 TIP3W5685 8.460 29.866 17.757 1.00 0.00 WT1 O
+ATOM 9682 H1 TIP3W5685 9.233 30.480 17.730 1.00 0.00 WT1 H
+ATOM 9683 H2 TIP3W5685 8.244 29.783 18.743 1.00 0.00 WT1 H
+ATOM 9684 OH2 TIP3W5686 18.870 30.816 15.372 1.00 0.00 WT1 O
+ATOM 9685 H1 TIP3W5686 18.743 29.905 15.653 1.00 0.00 WT1 H
+ATOM 9686 H2 TIP3W5686 19.875 30.919 15.332 1.00 0.00 WT1 H
+ATOM 9687 OH2 TIP3W5687 14.556 30.481 -17.931 1.00 0.00 WT1 O
+ATOM 9688 H1 TIP3W5687 14.760 30.733 -17.025 1.00 0.00 WT1 H
+ATOM 9689 H2 TIP3W5687 14.748 29.571 -17.999 1.00 0.00 WT1 H
+ATOM 9690 OH2 TIP3W5690 6.704 -27.982 -10.802 1.00 0.00 WT1 O
+ATOM 9691 H1 TIP3W5690 7.256 -28.310 -11.496 1.00 0.00 WT1 H
+ATOM 9692 H2 TIP3W5690 5.813 -28.394 -11.035 1.00 0.00 WT1 H
+ATOM 9693 OH2 TIP3W5693 6.900 26.834 -7.294 1.00 0.00 WT1 O
+ATOM 9694 H1 TIP3W5693 6.180 26.589 -6.729 1.00 0.00 WT1 H
+ATOM 9695 H2 TIP3W5693 6.990 25.997 -7.796 1.00 0.00 WT1 H
+ATOM 9696 OH2 TIP3W5694 3.192 28.829 -2.856 1.00 0.00 WT1 O
+ATOM 9697 H1 TIP3W5694 4.062 29.020 -3.313 1.00 0.00 WT1 H
+ATOM 9698 H2 TIP3W5694 2.876 29.740 -2.637 1.00 0.00 WT1 H
+ATOM 9699 OH2 TIP3W5695 14.701 23.501 -7.709 1.00 0.00 WT1 O
+ATOM 9700 H1 TIP3W5695 15.529 23.723 -7.224 1.00 0.00 WT1 H
+ATOM 9701 H2 TIP3W5695 14.416 22.684 -7.253 1.00 0.00 WT1 H
+ATOM 9702 OH2 TIP3W5696 19.030 26.994 2.343 1.00 0.00 WT1 O
+ATOM 9703 H1 TIP3W5696 19.875 27.446 2.708 1.00 0.00 WT1 H
+ATOM 9704 H2 TIP3W5696 19.188 26.078 2.719 1.00 0.00 WT1 H
+ATOM 9705 OH2 TIP3W5697 21.589 -10.492 -7.010 1.00 0.00 WT1 O
+ATOM 9706 H1 TIP3W5697 22.396 -11.150 -7.107 1.00 0.00 WT1 H
+ATOM 9707 H2 TIP3W5697 22.040 -9.567 -7.012 1.00 0.00 WT1 H
+ATOM 9708 OH2 TIP3W5698 9.985 30.272 10.068 1.00 0.00 WT1 O
+ATOM 9709 H1 TIP3W5698 9.750 29.791 9.282 1.00 0.00 WT1 H
+ATOM 9710 H2 TIP3W5698 9.955 31.237 9.940 1.00 0.00 WT1 H
+ATOM 9711 OH2 TIP3W5700 21.366 19.948 -0.120 1.00 0.00 WT1 O
+ATOM 9712 H1 TIP3W5700 21.059 19.004 0.060 1.00 0.00 WT1 H
+ATOM 9713 H2 TIP3W5700 21.317 20.350 0.804 1.00 0.00 WT1 H
+ATOM 9714 OH2 TIP3W5704 22.060 -28.079 2.103 1.00 0.00 WT1 O
+ATOM 9715 H1 TIP3W5704 22.501 -28.171 1.256 1.00 0.00 WT1 H
+ATOM 9716 H2 TIP3W5704 22.080 -29.005 2.494 1.00 0.00 WT1 H
+ATOM 9717 OH2 TIP3W5705 13.078 30.346 14.738 1.00 0.00 WT1 O
+ATOM 9718 H1 TIP3W5705 12.910 30.992 15.428 1.00 0.00 WT1 H
+ATOM 9719 H2 TIP3W5705 13.209 29.521 15.203 1.00 0.00 WT1 H
+ATOM 9720 OH2 TIP3W5707 18.517 23.627 15.463 1.00 0.00 WT1 O
+ATOM 9721 H1 TIP3W5707 18.798 23.978 14.555 1.00 0.00 WT1 H
+ATOM 9722 H2 TIP3W5707 17.510 23.442 15.397 1.00 0.00 WT1 H
+ATOM 9723 OH2 TIP3W5710 12.846 -30.427 -12.871 1.00 0.00 WT1 O
+ATOM 9724 H1 TIP3W5710 13.625 -29.856 -12.736 1.00 0.00 WT1 H
+ATOM 9725 H2 TIP3W5710 12.921 -31.059 -12.097 1.00 0.00 WT1 H
+ATOM 9726 OH2 TIP3W5713 16.835 -31.220 -6.755 1.00 0.00 WT1 O
+ATOM 9727 H1 TIP3W5713 16.555 -30.911 -7.678 1.00 0.00 WT1 H
+ATOM 9728 H2 TIP3W5713 16.514 -30.479 -6.238 1.00 0.00 WT1 H
+ATOM 9729 OH2 TIP3W5714 19.125 -30.316 -8.649 1.00 0.00 WT1 O
+ATOM 9730 H1 TIP3W5714 19.642 -29.608 -9.098 1.00 0.00 WT1 H
+ATOM 9731 H2 TIP3W5714 18.736 -29.808 -7.925 1.00 0.00 WT1 H
+ATOM 9732 OH2 TIP3W5716 -6.896 23.702 -9.425 1.00 0.00 WT1 O
+ATOM 9733 H1 TIP3W5716 -7.778 23.752 -9.935 1.00 0.00 WT1 H
+ATOM 9734 H2 TIP3W5716 -7.197 23.923 -8.523 1.00 0.00 WT1 H
+ATOM 9735 OH2 TIP3W5717 -1.182 18.758 -11.021 1.00 0.00 WT1 O
+ATOM 9736 H1 TIP3W5717 -0.443 19.214 -11.481 1.00 0.00 WT1 H
+ATOM 9737 H2 TIP3W5717 -1.033 18.998 -10.080 1.00 0.00 WT1 H
+ATOM 9738 OH2 TIP3W5718 20.472 14.589 2.111 1.00 0.00 WT1 O
+ATOM 9739 H1 TIP3W5718 19.976 14.025 1.528 1.00 0.00 WT1 H
+ATOM 9740 H2 TIP3W5718 20.038 14.428 2.975 1.00 0.00 WT1 H
+ATOM 9741 OH2 TIP3W5719 14.211 -30.112 3.268 1.00 0.00 WT1 O
+ATOM 9742 H1 TIP3W5719 14.158 -30.691 3.975 1.00 0.00 WT1 H
+ATOM 9743 H2 TIP3W5719 14.880 -30.509 2.661 1.00 0.00 WT1 H
+ATOM 9744 OH2 TIP3W5720 14.753 -26.165 -2.986 1.00 0.00 WT1 O
+ATOM 9745 H1 TIP3W5720 14.719 -25.262 -3.430 1.00 0.00 WT1 H
+ATOM 9746 H2 TIP3W5720 15.333 -25.973 -2.241 1.00 0.00 WT1 H
+ATOM 9747 OH2 TIP3W5721 4.634 27.750 10.822 1.00 0.00 WT1 O
+ATOM 9748 H1 TIP3W5721 3.956 28.391 10.714 1.00 0.00 WT1 H
+ATOM 9749 H2 TIP3W5721 4.278 26.923 10.420 1.00 0.00 WT1 H
+ATOM 9750 OH2 TIP3W5723 4.333 -28.164 0.030 1.00 0.00 WT1 O
+ATOM 9751 H1 TIP3W5723 4.960 -27.807 0.711 1.00 0.00 WT1 H
+ATOM 9752 H2 TIP3W5723 4.906 -28.328 -0.768 1.00 0.00 WT1 H
+ATOM 9753 OH2 TIP3W5724 11.014 31.341 17.458 1.00 0.00 WT1 O
+ATOM 9754 H1 TIP3W5724 11.597 31.820 16.815 1.00 0.00 WT1 H
+ATOM 9755 H2 TIP3W5724 11.139 31.850 18.278 1.00 0.00 WT1 H
+ATOM 9756 OH2 TIP3W5725 16.024 29.898 16.764 1.00 0.00 WT1 O
+ATOM 9757 H1 TIP3W5725 15.720 30.186 15.918 1.00 0.00 WT1 H
+ATOM 9758 H2 TIP3W5725 16.564 29.121 16.654 1.00 0.00 WT1 H
+ATOM 9759 OH2 TIP3W5730 -7.520 20.256 -17.471 1.00 0.00 WT1 O
+ATOM 9760 H1 TIP3W5730 -7.989 20.795 -18.090 1.00 0.00 WT1 H
+ATOM 9761 H2 TIP3W5730 -8.195 20.146 -16.781 1.00 0.00 WT1 H
+ATOM 9762 OH2 TIP3W5734 18.958 -26.379 -13.279 1.00 0.00 WT1 O
+ATOM 9763 H1 TIP3W5734 18.898 -25.863 -12.486 1.00 0.00 WT1 H
+ATOM 9764 H2 TIP3W5734 19.871 -26.293 -13.488 1.00 0.00 WT1 H
+ATOM 9765 OH2 TIP3W5736 16.183 -28.105 -7.953 1.00 0.00 WT1 O
+ATOM 9766 H1 TIP3W5736 17.054 -27.888 -7.617 1.00 0.00 WT1 H
+ATOM 9767 H2 TIP3W5736 15.839 -27.294 -8.356 1.00 0.00 WT1 H
+ATOM 9768 OH2 TIP3W5740 7.735 29.919 -5.005 1.00 0.00 WT1 O
+ATOM 9769 H1 TIP3W5740 6.976 30.376 -4.676 1.00 0.00 WT1 H
+ATOM 9770 H2 TIP3W5740 8.405 30.275 -4.386 1.00 0.00 WT1 H
+ATOM 9771 OH2 TIP3W5741 15.131 -18.707 2.783 1.00 0.00 WT1 O
+ATOM 9772 H1 TIP3W5741 16.036 -18.894 3.042 1.00 0.00 WT1 H
+ATOM 9773 H2 TIP3W5741 15.274 -18.712 1.821 1.00 0.00 WT1 H
+ATOM 9774 OH2 TIP3W5743 15.864 27.801 -2.285 1.00 0.00 WT1 O
+ATOM 9775 H1 TIP3W5743 16.569 28.109 -1.714 1.00 0.00 WT1 H
+ATOM 9776 H2 TIP3W5743 16.325 27.865 -3.178 1.00 0.00 WT1 H
+ATOM 9777 OH2 TIP3W5745 17.976 28.906 9.166 1.00 0.00 WT1 O
+ATOM 9778 H1 TIP3W5745 18.551 29.277 9.839 1.00 0.00 WT1 H
+ATOM 9779 H2 TIP3W5745 18.307 29.432 8.420 1.00 0.00 WT1 H
+ATOM 9780 OH2 TIP3W5747 13.656 25.684 22.260 1.00 0.00 WT1 O
+ATOM 9781 H1 TIP3W5747 13.323 26.485 21.886 1.00 0.00 WT1 H
+ATOM 9782 H2 TIP3W5747 14.614 25.697 22.140 1.00 0.00 WT1 H
+ATOM 9783 OH2 TIP3W5748 -1.343 26.567 10.487 1.00 0.00 WT1 O
+ATOM 9784 H1 TIP3W5748 -0.892 27.416 10.326 1.00 0.00 WT1 H
+ATOM 9785 H2 TIP3W5748 -1.435 26.241 9.567 1.00 0.00 WT1 H
+ATOM 9786 OH2 TIP3W5755 20.423 -15.143 -22.886 1.00 0.00 WT1 O
+ATOM 9787 H1 TIP3W5755 19.628 -14.627 -22.780 1.00 0.00 WT1 H
+ATOM 9788 H2 TIP3W5755 20.181 -15.969 -22.418 1.00 0.00 WT1 H
+ATOM 9789 OH2 TIP3W5756 16.134 -31.492 -13.236 1.00 0.00 WT1 O
+ATOM 9790 H1 TIP3W5756 15.957 -31.152 -14.133 1.00 0.00 WT1 H
+ATOM 9791 H2 TIP3W5756 16.455 -30.742 -12.747 1.00 0.00 WT1 H
+ATOM 9792 OH2 TIP3W5758 19.914 -31.870 -17.107 1.00 0.00 WT1 O
+ATOM 9793 H1 TIP3W5758 19.657 -32.030 -16.172 1.00 0.00 WT1 H
+ATOM 9794 H2 TIP3W5758 20.895 -32.070 -17.193 1.00 0.00 WT1 H
+ATOM 9795 OH2 TIP3W5759 18.364 23.979 -14.643 1.00 0.00 WT1 O
+ATOM 9796 H1 TIP3W5759 18.100 24.918 -14.586 1.00 0.00 WT1 H
+ATOM 9797 H2 TIP3W5759 17.477 23.585 -14.784 1.00 0.00 WT1 H
+ATOM 9798 OH2 TIP3W5760 15.878 -30.896 1.045 1.00 0.00 WT1 O
+ATOM 9799 H1 TIP3W5760 16.110 -31.632 1.613 1.00 0.00 WT1 H
+ATOM 9800 H2 TIP3W5760 16.314 -31.172 0.194 1.00 0.00 WT1 H
+ATOM 9801 OH2 TIP3W5761 21.075 29.303 -4.920 1.00 0.00 WT1 O
+ATOM 9802 H1 TIP3W5761 20.731 29.062 -4.008 1.00 0.00 WT1 H
+ATOM 9803 H2 TIP3W5761 21.612 28.575 -5.149 1.00 0.00 WT1 H
+ATOM 9804 OH2 TIP3W5762 17.938 -27.245 -4.297 1.00 0.00 WT1 O
+ATOM 9805 H1 TIP3W5762 17.841 -27.078 -3.328 1.00 0.00 WT1 H
+ATOM 9806 H2 TIP3W5762 17.134 -27.833 -4.504 1.00 0.00 WT1 H
+ATOM 9807 OH2 TIP3W5765 15.304 -30.566 13.921 1.00 0.00 WT1 O
+ATOM 9808 H1 TIP3W5765 16.094 -30.887 14.439 1.00 0.00 WT1 H
+ATOM 9809 H2 TIP3W5765 14.643 -30.471 14.625 1.00 0.00 WT1 H
+ATOM 9810 OH2 TIP3W5767 13.873 -28.754 -2.450 1.00 0.00 WT1 O
+ATOM 9811 H1 TIP3W5767 13.355 -28.722 -1.652 1.00 0.00 WT1 H
+ATOM 9812 H2 TIP3W5767 14.168 -27.809 -2.573 1.00 0.00 WT1 H
+ATOM 9813 OH2 TIP3W5768 12.145 -17.184 -2.855 1.00 0.00 WT1 O
+ATOM 9814 H1 TIP3W5768 11.405 -17.492 -3.403 1.00 0.00 WT1 H
+ATOM 9815 H2 TIP3W5768 11.731 -17.282 -1.947 1.00 0.00 WT1 H
+ATOM 9816 OH2 TIP3W5770 13.632 30.769 11.972 1.00 0.00 WT1 O
+ATOM 9817 H1 TIP3W5770 13.527 30.875 12.939 1.00 0.00 WT1 H
+ATOM 9818 H2 TIP3W5770 13.835 31.687 11.736 1.00 0.00 WT1 H
+ATOM 9819 OH2 TIP3W5777 17.339 -22.544 -23.060 1.00 0.00 WT1 O
+ATOM 9820 H1 TIP3W5777 17.348 -21.597 -23.026 1.00 0.00 WT1 H
+ATOM 9821 H2 TIP3W5777 16.389 -22.823 -22.991 1.00 0.00 WT1 H
+ATOM 9822 OH2 TIP3W5780 20.392 -24.752 -2.911 1.00 0.00 WT1 O
+ATOM 9823 H1 TIP3W5780 20.859 -24.619 -3.700 1.00 0.00 WT1 H
+ATOM 9824 H2 TIP3W5780 19.834 -23.980 -2.714 1.00 0.00 WT1 H
+ATOM 9825 OH2 TIP3W5783 19.116 -28.997 13.952 1.00 0.00 WT1 O
+ATOM 9826 H1 TIP3W5783 19.616 -29.835 13.589 1.00 0.00 WT1 H
+ATOM 9827 H2 TIP3W5783 19.550 -28.267 13.514 1.00 0.00 WT1 H
+ATOM 9828 OH2 TIP3W5784 17.133 -17.383 5.387 1.00 0.00 WT1 O
+ATOM 9829 H1 TIP3W5784 16.134 -17.418 5.401 1.00 0.00 WT1 H
+ATOM 9830 H2 TIP3W5784 17.346 -16.998 4.487 1.00 0.00 WT1 H
+ATOM 9831 OH2 TIP3W5785 5.825 -27.016 15.371 1.00 0.00 WT1 O
+ATOM 9832 H1 TIP3W5785 6.052 -26.426 16.090 1.00 0.00 WT1 H
+ATOM 9833 H2 TIP3W5785 6.303 -27.776 15.544 1.00 0.00 WT1 H
+ATOM 9834 OH2 TIP3W5786 21.657 -24.290 7.581 1.00 0.00 WT1 O
+ATOM 9835 H1 TIP3W5786 21.894 -24.436 8.518 1.00 0.00 WT1 H
+ATOM 9836 H2 TIP3W5786 20.788 -24.667 7.483 1.00 0.00 WT1 H
+ATOM 9837 OH2 TIP3W5787 12.292 -28.746 19.153 1.00 0.00 WT1 O
+ATOM 9838 H1 TIP3W5787 11.946 -28.326 19.942 1.00 0.00 WT1 H
+ATOM 9839 H2 TIP3W5787 13.215 -28.529 19.198 1.00 0.00 WT1 H
+ATOM 9840 OH2 TIP3W5788 18.425 -25.769 10.568 1.00 0.00 WT1 O
+ATOM 9841 H1 TIP3W5788 17.948 -26.391 9.976 1.00 0.00 WT1 H
+ATOM 9842 H2 TIP3W5788 17.737 -25.455 11.131 1.00 0.00 WT1 H
+ATOM 9843 OH2 TIP3W5791 15.298 -22.590 9.451 1.00 0.00 WT1 O
+ATOM 9844 H1 TIP3W5791 14.897 -22.171 8.676 1.00 0.00 WT1 H
+ATOM 9845 H2 TIP3W5791 15.407 -21.833 10.025 1.00 0.00 WT1 H
+ATOM 9846 OH2 TIP3W5795 7.848 -21.702 -9.926 1.00 0.00 WT1 O
+ATOM 9847 H1 TIP3W5795 7.031 -22.214 -10.017 1.00 0.00 WT1 H
+ATOM 9848 H2 TIP3W5795 7.950 -21.654 -8.961 1.00 0.00 WT1 H
+ATOM 9849 OH2 TIP3W5797 18.925 -9.885 -18.842 1.00 0.00 WT1 O
+ATOM 9850 H1 TIP3W5797 18.626 -8.992 -19.066 1.00 0.00 WT1 H
+ATOM 9851 H2 TIP3W5797 19.848 -9.919 -19.180 1.00 0.00 WT1 H
+ATOM 9852 OH2 TIP3W5799 18.062 -19.238 -1.068 1.00 0.00 WT1 O
+ATOM 9853 H1 TIP3W5799 18.252 -18.296 -1.109 1.00 0.00 WT1 H
+ATOM 9854 H2 TIP3W5799 18.924 -19.694 -0.938 1.00 0.00 WT1 H
+ATOM 9855 OH2 TIP3W5803 8.781 -29.911 5.510 1.00 0.00 WT1 O
+ATOM 9856 H1 TIP3W5803 9.306 -29.126 5.851 1.00 0.00 WT1 H
+ATOM 9857 H2 TIP3W5803 8.792 -30.489 6.265 1.00 0.00 WT1 H
+ATOM 9858 OH2 TIP3W5804 -0.312 -29.407 4.811 1.00 0.00 WT1 O
+ATOM 9859 H1 TIP3W5804 -0.687 -29.340 5.706 1.00 0.00 WT1 H
+ATOM 9860 H2 TIP3W5804 -0.237 -30.373 4.630 1.00 0.00 WT1 H
+ATOM 9861 OH2 TIP3W5805 18.245 -26.568 3.667 1.00 0.00 WT1 O
+ATOM 9862 H1 TIP3W5805 17.984 -26.557 4.570 1.00 0.00 WT1 H
+ATOM 9863 H2 TIP3W5805 19.130 -26.199 3.731 1.00 0.00 WT1 H
+ATOM 9864 OH2 TIP3W5806 16.431 -26.473 8.640 1.00 0.00 WT1 O
+ATOM 9865 H1 TIP3W5806 16.857 -27.078 8.045 1.00 0.00 WT1 H
+ATOM 9866 H2 TIP3W5806 16.103 -25.765 7.998 1.00 0.00 WT1 H
+ATOM 9867 OH2 TIP3W5807 15.019 -21.201 13.400 1.00 0.00 WT1 O
+ATOM 9868 H1 TIP3W5807 15.519 -20.403 13.683 1.00 0.00 WT1 H
+ATOM 9869 H2 TIP3W5807 14.169 -20.784 13.064 1.00 0.00 WT1 H
+ATOM 9870 OH2 TIP3W5808 18.296 -15.637 14.728 1.00 0.00 WT1 O
+ATOM 9871 H1 TIP3W5808 17.928 -15.337 13.938 1.00 0.00 WT1 H
+ATOM 9872 H2 TIP3W5808 19.254 -15.681 14.545 1.00 0.00 WT1 H
+ATOM 9873 OH2 TIP3W5812 15.280 -17.611 20.445 1.00 0.00 WT1 O
+ATOM 9874 H1 TIP3W5812 14.690 -16.773 20.564 1.00 0.00 WT1 H
+ATOM 9875 H2 TIP3W5812 16.109 -17.106 20.208 1.00 0.00 WT1 H
+ATOM 9876 OH2 TIP3W5818 12.365 -3.161 -21.410 1.00 0.00 WT1 O
+ATOM 9877 H1 TIP3W5818 12.906 -2.510 -21.797 1.00 0.00 WT1 H
+ATOM 9878 H2 TIP3W5818 11.478 -2.839 -21.696 1.00 0.00 WT1 H
+ATOM 9879 OH2 TIP3W5820 12.974 -21.554 -12.149 1.00 0.00 WT1 O
+ATOM 9880 H1 TIP3W5820 13.360 -22.101 -11.438 1.00 0.00 WT1 H
+ATOM 9881 H2 TIP3W5820 12.526 -22.272 -12.720 1.00 0.00 WT1 H
+ATOM 9882 OH2 TIP3W5821 9.988 -18.042 -8.704 1.00 0.00 WT1 O
+ATOM 9883 H1 TIP3W5821 9.387 -18.771 -8.791 1.00 0.00 WT1 H
+ATOM 9884 H2 TIP3W5821 9.517 -17.328 -9.083 1.00 0.00 WT1 H
+ATOM 9885 OH2 TIP3W5823 19.692 -11.148 -9.196 1.00 0.00 WT1 O
+ATOM 9886 H1 TIP3W5823 20.152 -10.915 -8.440 1.00 0.00 WT1 H
+ATOM 9887 H2 TIP3W5823 19.329 -10.310 -9.491 1.00 0.00 WT1 H
+ATOM 9888 OH2 TIP3W5824 9.793 -30.929 3.336 1.00 0.00 WT1 O
+ATOM 9889 H1 TIP3W5824 9.441 -31.849 3.262 1.00 0.00 WT1 H
+ATOM 9890 H2 TIP3W5824 9.640 -30.608 4.216 1.00 0.00 WT1 H
+ATOM 9891 OH2 TIP3W5825 5.929 31.712 -3.179 1.00 0.00 WT1 O
+ATOM 9892 H1 TIP3W5825 6.065 31.297 -2.311 1.00 0.00 WT1 H
+ATOM 9893 H2 TIP3W5825 6.837 31.914 -3.429 1.00 0.00 WT1 H
+ATOM 9894 OH2 TIP3W5826 19.823 -21.305 2.723 1.00 0.00 WT1 O
+ATOM 9895 H1 TIP3W5826 20.350 -22.070 2.464 1.00 0.00 WT1 H
+ATOM 9896 H2 TIP3W5826 20.282 -20.481 2.323 1.00 0.00 WT1 H
+ATOM 9897 OH2 TIP3W5829 12.635 -5.671 20.426 1.00 0.00 WT1 O
+ATOM 9898 H1 TIP3W5829 11.995 -5.787 21.150 1.00 0.00 WT1 H
+ATOM 9899 H2 TIP3W5829 13.185 -6.466 20.530 1.00 0.00 WT1 H
+ATOM 9900 OH2 TIP3W5832 20.399 -6.950 4.061 1.00 0.00 WT1 O
+ATOM 9901 H1 TIP3W5832 20.757 -7.278 4.935 1.00 0.00 WT1 H
+ATOM 9902 H2 TIP3W5832 19.424 -6.967 4.266 1.00 0.00 WT1 H
+ATOM 9903 OH2 TIP3W5834 11.757 -18.012 7.928 1.00 0.00 WT1 O
+ATOM 9904 H1 TIP3W5834 12.267 -17.562 8.639 1.00 0.00 WT1 H
+ATOM 9905 H2 TIP3W5834 10.975 -18.271 8.404 1.00 0.00 WT1 H
+ATOM 9906 OH2 TIP3W5835 4.024 -14.578 21.899 1.00 0.00 WT1 O
+ATOM 9907 H1 TIP3W5835 4.707 -15.243 21.639 1.00 0.00 WT1 H
+ATOM 9908 H2 TIP3W5835 3.384 -15.056 22.416 1.00 0.00 WT1 H
+ATOM 9909 OH2 TIP3W5839 10.442 -15.700 -18.228 1.00 0.00 WT1 O
+ATOM 9910 H1 TIP3W5839 9.902 -15.407 -17.502 1.00 0.00 WT1 H
+ATOM 9911 H2 TIP3W5839 10.950 -16.379 -17.745 1.00 0.00 WT1 H
+ATOM 9912 OH2 TIP3W5840 13.336 -3.817 -18.493 1.00 0.00 WT1 O
+ATOM 9913 H1 TIP3W5840 12.588 -3.877 -19.108 1.00 0.00 WT1 H
+ATOM 9914 H2 TIP3W5840 13.940 -3.091 -18.848 1.00 0.00 WT1 H
+ATOM 9915 OH2 TIP3W5841 17.197 -29.196 -11.487 1.00 0.00 WT1 O
+ATOM 9916 H1 TIP3W5841 18.009 -28.768 -11.636 1.00 0.00 WT1 H
+ATOM 9917 H2 TIP3W5841 17.291 -29.408 -10.570 1.00 0.00 WT1 H
+ATOM 9918 OH2 TIP3W5842 8.766 -13.816 4.955 1.00 0.00 WT1 O
+ATOM 9919 H1 TIP3W5842 9.065 -14.630 5.357 1.00 0.00 WT1 H
+ATOM 9920 H2 TIP3W5842 8.648 -13.155 5.625 1.00 0.00 WT1 H
+ATOM 9921 OH2 TIP3W5844 17.112 -21.852 -4.173 1.00 0.00 WT1 O
+ATOM 9922 H1 TIP3W5844 16.710 -21.288 -4.813 1.00 0.00 WT1 H
+ATOM 9923 H2 TIP3W5844 16.367 -22.409 -3.862 1.00 0.00 WT1 H
+ATOM 9924 OH2 TIP3W5845 10.360 -7.921 1.940 1.00 0.00 WT1 O
+ATOM 9925 H1 TIP3W5845 10.117 -7.336 2.708 1.00 0.00 WT1 H
+ATOM 9926 H2 TIP3W5845 11.327 -7.802 1.853 1.00 0.00 WT1 H
+ATOM 9927 OH2 TIP3W5846 17.650 -13.185 -5.999 1.00 0.00 WT1 O
+ATOM 9928 H1 TIP3W5846 18.393 -12.574 -5.735 1.00 0.00 WT1 H
+ATOM 9929 H2 TIP3W5846 16.920 -12.824 -5.522 1.00 0.00 WT1 H
+ATOM 9930 OH2 TIP3W5847 19.258 1.051 2.392 1.00 0.00 WT1 O
+ATOM 9931 H1 TIP3W5847 18.716 1.715 2.863 1.00 0.00 WT1 H
+ATOM 9932 H2 TIP3W5847 20.166 1.162 2.626 1.00 0.00 WT1 H
+ATOM 9933 OH2 TIP3W5849 4.151 -18.618 10.624 1.00 0.00 WT1 O
+ATOM 9934 H1 TIP3W5849 4.812 -19.241 10.729 1.00 0.00 WT1 H
+ATOM 9935 H2 TIP3W5849 4.620 -17.803 10.419 1.00 0.00 WT1 H
+ATOM 9936 OH2 TIP3W5860 7.122 -17.122 -12.722 1.00 0.00 WT1 O
+ATOM 9937 H1 TIP3W5860 6.990 -16.915 -11.761 1.00 0.00 WT1 H
+ATOM 9938 H2 TIP3W5860 8.042 -16.893 -12.840 1.00 0.00 WT1 H
+ATOM 9939 OH2 TIP3W5861 14.857 -8.236 -15.383 1.00 0.00 WT1 O
+ATOM 9940 H1 TIP3W5861 14.380 -7.424 -15.598 1.00 0.00 WT1 H
+ATOM 9941 H2 TIP3W5861 14.677 -8.778 -16.163 1.00 0.00 WT1 H
+ATOM 9942 OH2 TIP3W5862 14.647 -12.398 -16.012 1.00 0.00 WT1 O
+ATOM 9943 H1 TIP3W5862 14.510 -13.017 -16.687 1.00 0.00 WT1 H
+ATOM 9944 H2 TIP3W5862 15.380 -12.748 -15.464 1.00 0.00 WT1 H
+ATOM 9945 OH2 TIP3W5864 7.166 -12.530 7.117 1.00 0.00 WT1 O
+ATOM 9946 H1 TIP3W5864 6.538 -13.098 6.570 1.00 0.00 WT1 H
+ATOM 9947 H2 TIP3W5864 6.610 -11.818 7.463 1.00 0.00 WT1 H
+ATOM 9948 OH2 TIP3W5865 14.093 -19.402 -2.078 1.00 0.00 WT1 O
+ATOM 9949 H1 TIP3W5865 13.646 -20.313 -2.130 1.00 0.00 WT1 H
+ATOM 9950 H2 TIP3W5865 13.810 -18.929 -2.865 1.00 0.00 WT1 H
+ATOM 9951 OH2 TIP3W5867 18.344 -23.570 3.877 1.00 0.00 WT1 O
+ATOM 9952 H1 TIP3W5867 18.855 -22.923 3.439 1.00 0.00 WT1 H
+ATOM 9953 H2 TIP3W5867 18.157 -24.290 3.249 1.00 0.00 WT1 H
+ATOM 9954 OH2 TIP3W5868 12.074 -13.625 5.184 1.00 0.00 WT1 O
+ATOM 9955 H1 TIP3W5868 12.867 -14.023 5.610 1.00 0.00 WT1 H
+ATOM 9956 H2 TIP3W5868 11.392 -14.291 5.417 1.00 0.00 WT1 H
+ATOM 9957 OH2 TIP3W5869 18.047 -13.959 -2.848 1.00 0.00 WT1 O
+ATOM 9958 H1 TIP3W5869 17.774 -13.248 -2.227 1.00 0.00 WT1 H
+ATOM 9959 H2 TIP3W5869 17.929 -13.486 -3.685 1.00 0.00 WT1 H
+ATOM 9960 OH2 TIP3W5870 -0.737 -1.196 16.115 1.00 0.00 WT1 O
+ATOM 9961 H1 TIP3W5870 -0.905 -2.163 16.154 1.00 0.00 WT1 H
+ATOM 9962 H2 TIP3W5870 0.233 -1.185 16.307 1.00 0.00 WT1 H
+ATOM 9963 OH2 TIP3W5873 17.616 -23.563 8.839 1.00 0.00 WT1 O
+ATOM 9964 H1 TIP3W5873 16.789 -23.129 9.061 1.00 0.00 WT1 H
+ATOM 9965 H2 TIP3W5873 17.586 -24.272 9.491 1.00 0.00 WT1 H
+ATOM 9966 OH2 TIP3W5881 12.858 -22.514 -19.059 1.00 0.00 WT1 O
+ATOM 9967 H1 TIP3W5881 12.312 -22.222 -18.361 1.00 0.00 WT1 H
+ATOM 9968 H2 TIP3W5881 13.058 -23.413 -18.646 1.00 0.00 WT1 H
+ATOM 9969 OH2 TIP3W5884 16.690 -27.485 -14.284 1.00 0.00 WT1 O
+ATOM 9970 H1 TIP3W5884 16.767 -26.741 -14.870 1.00 0.00 WT1 H
+ATOM 9971 H2 TIP3W5884 17.387 -27.299 -13.657 1.00 0.00 WT1 H
+ATOM 9972 OH2 TIP3W5887 21.517 -2.103 -14.838 1.00 0.00 WT1 O
+ATOM 9973 H1 TIP3W5887 21.153 -2.049 -13.947 1.00 0.00 WT1 H
+ATOM 9974 H2 TIP3W5887 22.063 -1.348 -14.914 1.00 0.00 WT1 H
+ATOM 9975 OH2 TIP3W5889 13.698 -19.239 -13.246 1.00 0.00 WT1 O
+ATOM 9976 H1 TIP3W5889 13.685 -20.119 -12.755 1.00 0.00 WT1 H
+ATOM 9977 H2 TIP3W5889 12.948 -19.357 -13.897 1.00 0.00 WT1 H
+ATOM 9978 OH2 TIP3W5890 14.101 -17.663 12.647 1.00 0.00 WT1 O
+ATOM 9979 H1 TIP3W5890 14.741 -17.656 11.965 1.00 0.00 WT1 H
+ATOM 9980 H2 TIP3W5890 14.491 -17.108 13.333 1.00 0.00 WT1 H
+ATOM 9981 OH2 TIP3W5891 19.727 -7.583 9.733 1.00 0.00 WT1 O
+ATOM 9982 H1 TIP3W5891 18.883 -7.875 9.877 1.00 0.00 WT1 H
+ATOM 9983 H2 TIP3W5891 20.128 -8.312 9.205 1.00 0.00 WT1 H
+ATOM 9984 OH2 TIP3W5897 17.224 -20.720 19.260 1.00 0.00 WT1 O
+ATOM 9985 H1 TIP3W5897 17.460 -20.282 18.425 1.00 0.00 WT1 H
+ATOM 9986 H2 TIP3W5897 16.279 -20.429 19.459 1.00 0.00 WT1 H
+ATOM 9987 OH2 TIP3W5899 -0.429 -6.098 -12.539 1.00 0.00 WT1 O
+ATOM 9988 H1 TIP3W5899 -0.473 -7.067 -12.604 1.00 0.00 WT1 H
+ATOM 9989 H2 TIP3W5899 -1.237 -5.840 -13.081 1.00 0.00 WT1 H
+ATOM 9990 OH2 TIP3W5901 -0.885 -16.203 -11.381 1.00 0.00 WT1 O
+ATOM 9991 H1 TIP3W5901 -1.346 -17.129 -11.516 1.00 0.00 WT1 H
+ATOM 9992 H2 TIP3W5901 -0.440 -16.414 -10.592 1.00 0.00 WT1 H
+ATOM 9993 OH2 TIP3W5903 20.342 -4.330 -16.166 1.00 0.00 WT1 O
+ATOM 9994 H1 TIP3W5903 20.828 -4.565 -17.012 1.00 0.00 WT1 H
+ATOM 9995 H2 TIP3W5903 20.833 -3.520 -15.794 1.00 0.00 WT1 H
+ATOM 9996 OH2 TIP3W5904 21.584 3.867 -16.583 1.00 0.00 WT1 O
+ATOM 9997 H1 TIP3W5904 22.486 3.697 -16.861 1.00 0.00 WT1 H
+ATOM 9998 H2 TIP3W5904 21.688 4.376 -15.792 1.00 0.00 WT1 H
+ATOM 9999 OH2 TIP3W5906 11.731 -3.802 -3.270 1.00 0.00 WT1 O
+ATOM 10000 H1 TIP3W5906 11.096 -3.348 -3.889 1.00 0.00 WT1 H
+ATOM 10001 H2 TIP3W5906 11.466 -3.361 -2.495 1.00 0.00 WT1 H
+ATOM 10002 OH2 TIP3W5907 17.132 -12.545 3.625 1.00 0.00 WT1 O
+ATOM 10003 H1 TIP3W5907 17.342 -12.690 4.545 1.00 0.00 WT1 H
+ATOM 10004 H2 TIP3W5907 16.839 -11.628 3.577 1.00 0.00 WT1 H
+ATOM 10005 OH2 TIP3W5908 20.668 6.570 4.188 1.00 0.00 WT1 O
+ATOM 10006 H1 TIP3W5908 21.596 6.197 4.002 1.00 0.00 WT1 H
+ATOM 10007 H2 TIP3W5908 20.123 5.987 3.602 1.00 0.00 WT1 H
+ATOM 10008 OH2 TIP3W5909 19.506 -16.499 -10.463 1.00 0.00 WT1 O
+ATOM 10009 H1 TIP3W5909 19.794 -15.622 -10.814 1.00 0.00 WT1 H
+ATOM 10010 H2 TIP3W5909 19.742 -16.401 -9.510 1.00 0.00 WT1 H
+ATOM 10011 OH2 TIP3W5910 8.058 -5.541 5.392 1.00 0.00 WT1 O
+ATOM 10012 H1 TIP3W5910 8.766 -5.716 5.978 1.00 0.00 WT1 H
+ATOM 10013 H2 TIP3W5910 8.554 -5.078 4.719 1.00 0.00 WT1 H
+ATOM 10014 OH2 TIP3W5911 11.438 -12.340 -1.746 1.00 0.00 WT1 O
+ATOM 10015 H1 TIP3W5911 11.958 -11.612 -1.486 1.00 0.00 WT1 H
+ATOM 10016 H2 TIP3W5911 10.481 -11.905 -1.708 1.00 0.00 WT1 H
+ATOM 10017 OH2 TIP3W5914 15.885 -21.535 16.689 1.00 0.00 WT1 O
+ATOM 10018 H1 TIP3W5914 16.804 -21.908 16.571 1.00 0.00 WT1 H
+ATOM 10019 H2 TIP3W5914 15.882 -20.810 16.070 1.00 0.00 WT1 H
+ATOM 10020 OH2 TIP3W5919 16.773 -9.791 21.347 1.00 0.00 WT1 O
+ATOM 10021 H1 TIP3W5919 16.268 -9.773 22.181 1.00 0.00 WT1 H
+ATOM 10022 H2 TIP3W5919 16.530 -10.700 20.932 1.00 0.00 WT1 H
+ATOM 10023 OH2 TIP3W5920 11.924 -18.701 -17.636 1.00 0.00 WT1 O
+ATOM 10024 H1 TIP3W5920 12.176 -18.623 -18.551 1.00 0.00 WT1 H
+ATOM 10025 H2 TIP3W5920 11.529 -19.625 -17.589 1.00 0.00 WT1 H
+ATOM 10026 OH2 TIP3W5924 14.547 -6.124 -0.755 1.00 0.00 WT1 O
+ATOM 10027 H1 TIP3W5924 14.919 -5.218 -0.856 1.00 0.00 WT1 H
+ATOM 10028 H2 TIP3W5924 14.326 -6.386 -1.718 1.00 0.00 WT1 H
+ATOM 10029 OH2 TIP3W5925 7.530 5.723 -20.430 1.00 0.00 WT1 O
+ATOM 10030 H1 TIP3W5925 8.153 5.556 -19.726 1.00 0.00 WT1 H
+ATOM 10031 H2 TIP3W5925 7.228 4.814 -20.620 1.00 0.00 WT1 H
+ATOM 10032 OH2 TIP3W5926 19.100 -17.586 -13.033 1.00 0.00 WT1 O
+ATOM 10033 H1 TIP3W5926 19.261 -17.271 -12.103 1.00 0.00 WT1 H
+ATOM 10034 H2 TIP3W5926 18.188 -17.927 -12.956 1.00 0.00 WT1 H
+ATOM 10035 OH2 TIP3W5927 17.118 8.789 -13.963 1.00 0.00 WT1 O
+ATOM 10036 H1 TIP3W5927 16.613 9.153 -14.692 1.00 0.00 WT1 H
+ATOM 10037 H2 TIP3W5927 18.004 8.731 -14.372 1.00 0.00 WT1 H
+ATOM 10038 OH2 TIP3W5928 17.778 19.857 -3.928 1.00 0.00 WT1 O
+ATOM 10039 H1 TIP3W5928 16.901 19.297 -3.882 1.00 0.00 WT1 H
+ATOM 10040 H2 TIP3W5928 17.856 20.175 -3.012 1.00 0.00 WT1 H
+ATOM 10041 OH2 TIP3W5929 17.470 -21.869 6.480 1.00 0.00 WT1 O
+ATOM 10042 H1 TIP3W5929 17.072 -22.547 6.941 1.00 0.00 WT1 H
+ATOM 10043 H2 TIP3W5929 17.022 -21.868 5.641 1.00 0.00 WT1 H
+ATOM 10044 OH2 TIP3W5930 7.789 5.441 1.320 1.00 0.00 WT1 O
+ATOM 10045 H1 TIP3W5930 8.161 5.881 2.143 1.00 0.00 WT1 H
+ATOM 10046 H2 TIP3W5930 7.491 6.132 0.755 1.00 0.00 WT1 H
+ATOM 10047 OH2 TIP3W5932 13.078 -7.572 1.118 1.00 0.00 WT1 O
+ATOM 10048 H1 TIP3W5932 13.623 -7.194 0.461 1.00 0.00 WT1 H
+ATOM 10049 H2 TIP3W5932 13.632 -7.313 1.860 1.00 0.00 WT1 H
+ATOM 10050 OH2 TIP3W5933 8.442 4.623 17.788 1.00 0.00 WT1 O
+ATOM 10051 H1 TIP3W5933 8.256 5.506 18.147 1.00 0.00 WT1 H
+ATOM 10052 H2 TIP3W5933 9.413 4.647 17.649 1.00 0.00 WT1 H
+ATOM 10053 OH2 TIP3W5935 7.895 -2.529 8.033 1.00 0.00 WT1 O
+ATOM 10054 H1 TIP3W5935 8.639 -2.237 8.650 1.00 0.00 WT1 H
+ATOM 10055 H2 TIP3W5935 8.211 -2.233 7.099 1.00 0.00 WT1 H
+ATOM 10056 OH2 TIP3W5941 13.341 5.159 -7.036 1.00 0.00 WT1 O
+ATOM 10057 H1 TIP3W5941 12.925 5.383 -6.178 1.00 0.00 WT1 H
+ATOM 10058 H2 TIP3W5941 13.077 4.280 -7.292 1.00 0.00 WT1 H
+ATOM 10059 OH2 TIP3W5950 18.738 14.799 -15.557 1.00 0.00 WT1 O
+ATOM 10060 H1 TIP3W5950 19.635 14.958 -15.733 1.00 0.00 WT1 H
+ATOM 10061 H2 TIP3W5950 18.364 14.871 -16.477 1.00 0.00 WT1 H
+ATOM 10062 OH2 TIP3W5952 20.561 -6.981 14.157 1.00 0.00 WT1 O
+ATOM 10063 H1 TIP3W5952 20.978 -7.862 13.938 1.00 0.00 WT1 H
+ATOM 10064 H2 TIP3W5952 20.603 -6.521 13.311 1.00 0.00 WT1 H
+ATOM 10065 OH2 TIP3W5954 14.786 -14.217 18.330 1.00 0.00 WT1 O
+ATOM 10066 H1 TIP3W5954 15.744 -14.526 18.217 1.00 0.00 WT1 H
+ATOM 10067 H2 TIP3W5954 14.517 -14.522 19.189 1.00 0.00 WT1 H
+ATOM 10068 OH2 TIP3W5962 18.002 13.468 20.467 1.00 0.00 WT1 O
+ATOM 10069 H1 TIP3W5962 18.911 13.122 20.506 1.00 0.00 WT1 H
+ATOM 10070 H2 TIP3W5962 18.008 14.067 19.692 1.00 0.00 WT1 H
+ATOM 10071 OH2 TIP3W5965 21.577 -4.473 -18.439 1.00 0.00 WT1 O
+ATOM 10072 H1 TIP3W5965 20.911 -4.832 -19.118 1.00 0.00 WT1 H
+ATOM 10073 H2 TIP3W5965 21.481 -3.480 -18.430 1.00 0.00 WT1 H
+ATOM 10074 OH2 TIP3W5967 17.960 10.490 3.024 1.00 0.00 WT1 O
+ATOM 10075 H1 TIP3W5967 17.353 9.868 2.582 1.00 0.00 WT1 H
+ATOM 10076 H2 TIP3W5967 17.451 10.834 3.791 1.00 0.00 WT1 H
+ATOM 10077 OH2 TIP3W5969 15.570 16.210 -11.796 1.00 0.00 WT1 O
+ATOM 10078 H1 TIP3W5969 14.854 15.874 -12.357 1.00 0.00 WT1 H
+ATOM 10079 H2 TIP3W5969 16.395 16.088 -12.300 1.00 0.00 WT1 H
+ATOM 10080 OH2 TIP3W5970 13.555 19.645 -2.202 1.00 0.00 WT1 O
+ATOM 10081 H1 TIP3W5970 13.964 20.149 -1.478 1.00 0.00 WT1 H
+ATOM 10082 H2 TIP3W5970 14.151 19.549 -2.921 1.00 0.00 WT1 H
+ATOM 10083 OH2 TIP3W5971 16.506 -4.794 9.324 1.00 0.00 WT1 O
+ATOM 10084 H1 TIP3W5971 16.145 -4.433 10.113 1.00 0.00 WT1 H
+ATOM 10085 H2 TIP3W5971 17.488 -4.491 9.367 1.00 0.00 WT1 H
+ATOM 10086 OH2 TIP3W5972 14.272 -5.295 2.824 1.00 0.00 WT1 O
+ATOM 10087 H1 TIP3W5972 13.869 -4.508 3.261 1.00 0.00 WT1 H
+ATOM 10088 H2 TIP3W5972 14.898 -4.863 2.259 1.00 0.00 WT1 H
+ATOM 10089 OH2 TIP3W5973 13.110 1.864 11.084 1.00 0.00 WT1 O
+ATOM 10090 H1 TIP3W5973 13.284 1.061 10.525 1.00 0.00 WT1 H
+ATOM 10091 H2 TIP3W5973 13.920 2.312 10.983 1.00 0.00 WT1 H
+ATOM 10092 OH2 TIP3W5975 20.824 -10.505 20.007 1.00 0.00 WT1 O
+ATOM 10093 H1 TIP3W5975 21.024 -9.555 20.266 1.00 0.00 WT1 H
+ATOM 10094 H2 TIP3W5975 20.405 -10.772 20.819 1.00 0.00 WT1 H
+ATOM 10095 OH2 TIP3W5976 14.945 7.763 8.925 1.00 0.00 WT1 O
+ATOM 10096 H1 TIP3W5976 14.082 7.714 8.477 1.00 0.00 WT1 H
+ATOM 10097 H2 TIP3W5976 15.481 8.210 8.234 1.00 0.00 WT1 H
+ATOM 10098 OH2 TIP3W5977 15.879 -0.619 12.556 1.00 0.00 WT1 O
+ATOM 10099 H1 TIP3W5977 15.205 -0.819 11.842 1.00 0.00 WT1 H
+ATOM 10100 H2 TIP3W5977 15.458 -1.106 13.309 1.00 0.00 WT1 H
+ATOM 10101 OH2 TIP3W5984 16.443 6.186 19.873 1.00 0.00 WT1 O
+ATOM 10102 H1 TIP3W5984 17.006 5.577 20.362 1.00 0.00 WT1 H
+ATOM 10103 H2 TIP3W5984 15.602 6.120 20.422 1.00 0.00 WT1 H
+ATOM 10104 OH2 TIP3W5986 21.362 7.811 -15.414 1.00 0.00 WT1 O
+ATOM 10105 H1 TIP3W5986 20.646 8.413 -15.586 1.00 0.00 WT1 H
+ATOM 10106 H2 TIP3W5986 20.929 7.028 -15.065 1.00 0.00 WT1 H
+ATOM 10107 OH2 TIP3W5987 12.965 12.652 -14.121 1.00 0.00 WT1 O
+ATOM 10108 H1 TIP3W5987 12.302 12.503 -13.470 1.00 0.00 WT1 H
+ATOM 10109 H2 TIP3W5987 12.405 12.635 -14.949 1.00 0.00 WT1 H
+ATOM 10110 OH2 TIP3W5988 18.445 -0.968 -12.987 1.00 0.00 WT1 O
+ATOM 10111 H1 TIP3W5988 17.895 -0.206 -13.316 1.00 0.00 WT1 H
+ATOM 10112 H2 TIP3W5988 18.998 -0.556 -12.281 1.00 0.00 WT1 H
+ATOM 10113 OH2 TIP3W5989 3.372 4.705 -12.659 1.00 0.00 WT1 O
+ATOM 10114 H1 TIP3W5989 3.877 4.668 -13.497 1.00 0.00 WT1 H
+ATOM 10115 H2 TIP3W5989 3.533 5.614 -12.364 1.00 0.00 WT1 H
+ATOM 10116 OH2 TIP3W5990 11.942 16.836 -17.290 1.00 0.00 WT1 O
+ATOM 10117 H1 TIP3W5990 11.520 16.373 -16.545 1.00 0.00 WT1 H
+ATOM 10118 H2 TIP3W5990 11.202 17.188 -17.812 1.00 0.00 WT1 H
+ATOM 10119 OH2 TIP3W5991 5.979 19.184 -8.256 1.00 0.00 WT1 O
+ATOM 10120 H1 TIP3W5991 5.192 19.190 -8.803 1.00 0.00 WT1 H
+ATOM 10121 H2 TIP3W5991 6.010 20.102 -7.863 1.00 0.00 WT1 H
+ATOM 10122 OH2 TIP3W5992 10.475 4.134 -3.123 1.00 0.00 WT1 O
+ATOM 10123 H1 TIP3W5992 9.581 4.043 -3.432 1.00 0.00 WT1 H
+ATOM 10124 H2 TIP3W5992 10.673 3.216 -2.862 1.00 0.00 WT1 H
+ATOM 10125 OH2 TIP3W5993 5.677 3.857 6.027 1.00 0.00 WT1 O
+ATOM 10126 H1 TIP3W5993 6.445 3.919 6.586 1.00 0.00 WT1 H
+ATOM 10127 H2 TIP3W5993 5.225 3.048 6.398 1.00 0.00 WT1 H
+ATOM 10128 OH2 TIP3W5996 13.445 -3.067 10.889 1.00 0.00 WT1 O
+ATOM 10129 H1 TIP3W5996 14.123 -3.455 11.426 1.00 0.00 WT1 H
+ATOM 10130 H2 TIP3W5996 12.633 -3.107 11.355 1.00 0.00 WT1 H
+ATOM 10131 OH2 TIP3W6000 18.455 8.013 19.788 1.00 0.00 WT1 O
+ATOM 10132 H1 TIP3W6000 18.361 8.623 19.034 1.00 0.00 WT1 H
+ATOM 10133 H2 TIP3W6000 17.703 7.448 19.691 1.00 0.00 WT1 H
+ATOM 10134 OH2 TIP3W6008 17.507 2.388 7.792 1.00 0.00 WT1 O
+ATOM 10135 H1 TIP3W6008 17.636 2.950 8.538 1.00 0.00 WT1 H
+ATOM 10136 H2 TIP3W6008 16.637 2.719 7.443 1.00 0.00 WT1 H
+ATOM 10137 OH2 TIP3W6011 16.497 19.191 -7.434 1.00 0.00 WT1 O
+ATOM 10138 H1 TIP3W6011 16.633 18.221 -7.336 1.00 0.00 WT1 H
+ATOM 10139 H2 TIP3W6011 16.473 19.316 -8.404 1.00 0.00 WT1 H
+ATOM 10140 OH2 TIP3W6012 16.384 7.529 4.862 1.00 0.00 WT1 O
+ATOM 10141 H1 TIP3W6012 17.281 7.391 5.190 1.00 0.00 WT1 H
+ATOM 10142 H2 TIP3W6012 16.491 7.128 3.960 1.00 0.00 WT1 H
+ATOM 10143 OH2 TIP3W6014 11.286 10.410 -4.147 1.00 0.00 WT1 O
+ATOM 10144 H1 TIP3W6014 11.914 9.879 -4.704 1.00 0.00 WT1 H
+ATOM 10145 H2 TIP3W6014 10.428 10.010 -4.244 1.00 0.00 WT1 H
+ATOM 10146 OH2 TIP3W6015 15.098 17.832 0.055 1.00 0.00 WT1 O
+ATOM 10147 H1 TIP3W6015 14.562 18.569 -0.201 1.00 0.00 WT1 H
+ATOM 10148 H2 TIP3W6015 15.044 17.286 -0.745 1.00 0.00 WT1 H
+ATOM 10149 OH2 TIP3W6016 22.265 1.872 17.192 1.00 0.00 WT1 O
+ATOM 10150 H1 TIP3W6016 21.873 1.572 18.066 1.00 0.00 WT1 H
+ATOM 10151 H2 TIP3W6016 22.374 1.050 16.646 1.00 0.00 WT1 H
+ATOM 10152 OH2 TIP3W6019 11.249 -0.609 -4.914 1.00 0.00 WT1 O
+ATOM 10153 H1 TIP3W6019 12.131 -0.629 -5.251 1.00 0.00 WT1 H
+ATOM 10154 H2 TIP3W6019 10.923 -1.458 -5.310 1.00 0.00 WT1 H
+ATOM 10155 OH2 TIP3W6021 -1.511 10.598 9.653 1.00 0.00 WT1 O
+ATOM 10156 H1 TIP3W6021 -2.159 11.191 10.047 1.00 0.00 WT1 H
+ATOM 10157 H2 TIP3W6021 -1.937 9.704 9.814 1.00 0.00 WT1 H
+ATOM 10158 OH2 TIP3W6022 14.926 12.674 20.956 1.00 0.00 WT1 O
+ATOM 10159 H1 TIP3W6022 14.467 12.683 21.774 1.00 0.00 WT1 H
+ATOM 10160 H2 TIP3W6022 14.952 13.575 20.684 1.00 0.00 WT1 H
+ATOM 10161 OH2 TIP3W6030 21.938 25.390 -10.785 1.00 0.00 WT1 O
+ATOM 10162 H1 TIP3W6030 21.477 24.624 -10.354 1.00 0.00 WT1 H
+ATOM 10163 H2 TIP3W6030 21.557 26.155 -10.325 1.00 0.00 WT1 H
+ATOM 10164 OH2 TIP3W6033 13.791 20.123 7.483 1.00 0.00 WT1 O
+ATOM 10165 H1 TIP3W6033 13.755 19.650 8.367 1.00 0.00 WT1 H
+ATOM 10166 H2 TIP3W6033 12.869 20.537 7.428 1.00 0.00 WT1 H
+ATOM 10167 OH2 TIP3W6034 17.539 15.115 -3.199 1.00 0.00 WT1 O
+ATOM 10168 H1 TIP3W6034 18.175 15.576 -2.605 1.00 0.00 WT1 H
+ATOM 10169 H2 TIP3W6034 18.014 14.311 -3.426 1.00 0.00 WT1 H
+ATOM 10170 OH2 TIP3W6036 15.938 -0.100 -2.968 1.00 0.00 WT1 O
+ATOM 10171 H1 TIP3W6036 16.011 0.005 -1.969 1.00 0.00 WT1 H
+ATOM 10172 H2 TIP3W6036 15.106 -0.580 -3.082 1.00 0.00 WT1 H
+ATOM 10173 OH2 TIP3W6038 19.291 10.486 14.470 1.00 0.00 WT1 O
+ATOM 10174 H1 TIP3W6038 19.573 10.824 13.598 1.00 0.00 WT1 H
+ATOM 10175 H2 TIP3W6038 19.805 9.685 14.608 1.00 0.00 WT1 H
+ATOM 10176 OH2 TIP3W6039 12.764 1.669 4.887 1.00 0.00 WT1 O
+ATOM 10177 H1 TIP3W6039 13.430 1.729 4.119 1.00 0.00 WT1 H
+ATOM 10178 H2 TIP3W6039 11.888 1.638 4.379 1.00 0.00 WT1 H
+ATOM 10179 OH2 TIP3W6041 13.440 13.599 11.710 1.00 0.00 WT1 O
+ATOM 10180 H1 TIP3W6041 12.785 13.342 10.993 1.00 0.00 WT1 H
+ATOM 10181 H2 TIP3W6041 13.714 12.834 12.287 1.00 0.00 WT1 H
+ATOM 10182 OH2 TIP3W6046 20.248 6.234 -17.823 1.00 0.00 WT1 O
+ATOM 10183 H1 TIP3W6046 19.515 6.419 -17.134 1.00 0.00 WT1 H
+ATOM 10184 H2 TIP3W6046 20.734 5.466 -17.446 1.00 0.00 WT1 H
+ATOM 10185 OH2 TIP3W6048 12.650 0.138 -18.249 1.00 0.00 WT1 O
+ATOM 10186 H1 TIP3W6048 11.788 -0.229 -18.030 1.00 0.00 WT1 H
+ATOM 10187 H2 TIP3W6048 12.489 1.103 -18.056 1.00 0.00 WT1 H
+ATOM 10188 OH2 TIP3W6050 20.950 22.810 -21.711 1.00 0.00 WT1 O
+ATOM 10189 H1 TIP3W6050 20.336 22.377 -22.323 1.00 0.00 WT1 H
+ATOM 10190 H2 TIP3W6050 21.717 22.960 -22.273 1.00 0.00 WT1 H
+ATOM 10191 OH2 TIP3W6051 7.403 22.068 -11.997 1.00 0.00 WT1 O
+ATOM 10192 H1 TIP3W6051 7.235 21.202 -12.400 1.00 0.00 WT1 H
+ATOM 10193 H2 TIP3W6051 6.866 22.754 -12.495 1.00 0.00 WT1 H
+ATOM 10194 OH2 TIP3W6052 -1.693 23.353 2.365 1.00 0.00 WT1 O
+ATOM 10195 H1 TIP3W6052 -2.471 22.686 2.387 1.00 0.00 WT1 H
+ATOM 10196 H2 TIP3W6052 -1.080 22.871 1.784 1.00 0.00 WT1 H
+ATOM 10197 OH2 TIP3W6056 10.082 30.576 1.799 1.00 0.00 WT1 O
+ATOM 10198 H1 TIP3W6056 10.313 30.259 2.706 1.00 0.00 WT1 H
+ATOM 10199 H2 TIP3W6056 9.278 31.128 2.022 1.00 0.00 WT1 H
+ATOM 10200 OH2 TIP3W6057 18.036 5.338 17.463 1.00 0.00 WT1 O
+ATOM 10201 H1 TIP3W6057 17.354 5.524 18.095 1.00 0.00 WT1 H
+ATOM 10202 H2 TIP3W6057 17.531 4.877 16.676 1.00 0.00 WT1 H
+ATOM 10203 OH2 TIP3W6060 21.544 5.406 15.874 1.00 0.00 WT1 O
+ATOM 10204 H1 TIP3W6060 21.730 6.388 15.647 1.00 0.00 WT1 H
+ATOM 10205 H2 TIP3W6060 21.563 5.456 16.858 1.00 0.00 WT1 H
+ATOM 10206 OH2 TIP3W6061 1.274 8.727 21.733 1.00 0.00 WT1 O
+ATOM 10207 H1 TIP3W6061 2.036 9.072 21.194 1.00 0.00 WT1 H
+ATOM 10208 H2 TIP3W6061 1.675 8.212 22.463 1.00 0.00 WT1 H
+ATOM 10209 OH2 TIP3W6071 21.354 18.612 -16.492 1.00 0.00 WT1 O
+ATOM 10210 H1 TIP3W6071 20.851 18.865 -15.723 1.00 0.00 WT1 H
+ATOM 10211 H2 TIP3W6071 22.218 19.021 -16.436 1.00 0.00 WT1 H
+ATOM 10212 OH2 TIP3W6073 11.494 23.567 -12.368 1.00 0.00 WT1 O
+ATOM 10213 H1 TIP3W6073 11.312 22.915 -11.678 1.00 0.00 WT1 H
+ATOM 10214 H2 TIP3W6073 11.249 24.377 -11.941 1.00 0.00 WT1 H
+ATOM 10215 OH2 TIP3W6074 16.386 28.920 -15.165 1.00 0.00 WT1 O
+ATOM 10216 H1 TIP3W6074 15.951 29.246 -14.321 1.00 0.00 WT1 H
+ATOM 10217 H2 TIP3W6074 17.134 29.452 -15.245 1.00 0.00 WT1 H
+ATOM 10218 OH2 TIP3W6076 18.444 23.982 2.137 1.00 0.00 WT1 O
+ATOM 10219 H1 TIP3W6076 17.912 23.227 2.241 1.00 0.00 WT1 H
+ATOM 10220 H2 TIP3W6076 18.333 24.369 3.000 1.00 0.00 WT1 H
+ATOM 10221 OH2 TIP3W6077 1.499 27.268 -3.962 1.00 0.00 WT1 O
+ATOM 10222 H1 TIP3W6077 0.958 27.913 -4.443 1.00 0.00 WT1 H
+ATOM 10223 H2 TIP3W6077 2.028 27.852 -3.374 1.00 0.00 WT1 H
+ATOM 10224 OH2 TIP3W6078 20.257 25.111 4.311 1.00 0.00 WT1 O
+ATOM 10225 H1 TIP3W6078 19.502 24.602 4.657 1.00 0.00 WT1 H
+ATOM 10226 H2 TIP3W6078 20.349 25.866 4.867 1.00 0.00 WT1 H
+ATOM 10227 OH2 TIP3W6079 2.363 20.887 -8.089 1.00 0.00 WT1 O
+ATOM 10228 H1 TIP3W6079 2.711 21.400 -7.338 1.00 0.00 WT1 H
+ATOM 10229 H2 TIP3W6079 2.359 21.608 -8.797 1.00 0.00 WT1 H
+ATOM 10230 OH2 TIP3W6080 17.939 3.570 20.778 1.00 0.00 WT1 O
+ATOM 10231 H1 TIP3W6080 17.428 2.804 20.454 1.00 0.00 WT1 H
+ATOM 10232 H2 TIP3W6080 18.561 3.113 21.307 1.00 0.00 WT1 H
+ATOM 10233 OH2 TIP3W6082 13.379 12.191 3.498 1.00 0.00 WT1 O
+ATOM 10234 H1 TIP3W6082 12.436 12.120 3.712 1.00 0.00 WT1 H
+ATOM 10235 H2 TIP3W6082 13.416 11.842 2.597 1.00 0.00 WT1 H
+ATOM 10236 OH2 TIP3W6084 14.747 20.059 17.704 1.00 0.00 WT1 O
+ATOM 10237 H1 TIP3W6084 15.148 20.301 18.588 1.00 0.00 WT1 H
+ATOM 10238 H2 TIP3W6084 13.795 20.004 17.873 1.00 0.00 WT1 H
+ATOM 10239 OH2 TIP3W6086 10.316 26.268 20.083 1.00 0.00 WT1 O
+ATOM 10240 H1 TIP3W6086 9.693 25.757 19.516 1.00 0.00 WT1 H
+ATOM 10241 H2 TIP3W6086 11.079 25.721 20.070 1.00 0.00 WT1 H
+ATOM 10242 OH2 TIP3W6090 21.155 -2.894 -20.756 1.00 0.00 WT1 O
+ATOM 10243 H1 TIP3W6090 21.479 -2.347 -20.028 1.00 0.00 WT1 H
+ATOM 10244 H2 TIP3W6090 21.337 -2.290 -21.483 1.00 0.00 WT1 H
+ATOM 10245 OH2 TIP3W6091 21.137 -30.075 -22.073 1.00 0.00 WT1 O
+ATOM 10246 H1 TIP3W6091 22.033 -29.980 -21.847 1.00 0.00 WT1 H
+ATOM 10247 H2 TIP3W6091 20.744 -29.432 -21.560 1.00 0.00 WT1 H
+ATOM 10248 OH2 TIP3W6092 15.659 23.651 -21.417 1.00 0.00 WT1 O
+ATOM 10249 H1 TIP3W6092 15.818 23.005 -20.699 1.00 0.00 WT1 H
+ATOM 10250 H2 TIP3W6092 16.255 23.253 -22.135 1.00 0.00 WT1 H
+ATOM 10251 OH2 TIP3W6099 3.578 21.610 0.384 1.00 0.00 WT1 O
+ATOM 10252 H1 TIP3W6099 4.389 21.213 0.756 1.00 0.00 WT1 H
+ATOM 10253 H2 TIP3W6099 2.909 21.129 0.884 1.00 0.00 WT1 H
+ATOM 10254 OH2 TIP3W6100 14.145 25.627 -1.953 1.00 0.00 WT1 O
+ATOM 10255 H1 TIP3W6100 14.768 26.379 -1.894 1.00 0.00 WT1 H
+ATOM 10256 H2 TIP3W6100 14.650 24.964 -2.421 1.00 0.00 WT1 H
+ATOM 10257 OH2 TIP3W6102 20.009 22.600 -4.009 1.00 0.00 WT1 O
+ATOM 10258 H1 TIP3W6102 20.342 23.372 -3.623 1.00 0.00 WT1 H
+ATOM 10259 H2 TIP3W6102 20.137 21.907 -3.247 1.00 0.00 WT1 H
+ATOM 10260 OH2 TIP3W6104 18.180 17.397 16.282 1.00 0.00 WT1 O
+ATOM 10261 H1 TIP3W6104 18.284 17.305 15.270 1.00 0.00 WT1 H
+ATOM 10262 H2 TIP3W6104 17.317 17.818 16.385 1.00 0.00 WT1 H
+ATOM 10263 OH2 TIP3W6110 16.009 -30.623 -21.949 1.00 0.00 WT1 O
+ATOM 10264 H1 TIP3W6110 15.914 -31.102 -22.781 1.00 0.00 WT1 H
+ATOM 10265 H2 TIP3W6110 16.840 -30.192 -22.154 1.00 0.00 WT1 H
+ATOM 10266 OH2 TIP3W6112 5.751 26.238 -17.077 1.00 0.00 WT1 O
+ATOM 10267 H1 TIP3W6112 6.530 25.725 -16.959 1.00 0.00 WT1 H
+ATOM 10268 H2 TIP3W6112 5.550 26.460 -16.154 1.00 0.00 WT1 H
+ATOM 10269 OH2 TIP3W6113 13.446 26.832 -10.940 1.00 0.00 WT1 O
+ATOM 10270 H1 TIP3W6113 13.137 27.755 -10.721 1.00 0.00 WT1 H
+ATOM 10271 H2 TIP3W6113 12.681 26.326 -10.627 1.00 0.00 WT1 H
+ATOM 10272 OH2 TIP3W6115 17.049 28.159 -4.879 1.00 0.00 WT1 O
+ATOM 10273 H1 TIP3W6115 17.922 27.929 -5.232 1.00 0.00 WT1 H
+ATOM 10274 H2 TIP3W6115 16.678 28.822 -5.397 1.00 0.00 WT1 H
+ATOM 10275 OH2 TIP3W6117 15.598 5.672 -20.488 1.00 0.00 WT1 O
+ATOM 10276 H1 TIP3W6117 15.354 5.161 -19.778 1.00 0.00 WT1 H
+ATOM 10277 H2 TIP3W6117 16.581 5.813 -20.376 1.00 0.00 WT1 H
+ATOM 10278 OH2 TIP3W6118 17.253 16.657 1.717 1.00 0.00 WT1 O
+ATOM 10279 H1 TIP3W6118 16.644 16.967 1.062 1.00 0.00 WT1 H
+ATOM 10280 H2 TIP3W6118 16.685 16.222 2.354 1.00 0.00 WT1 H
+ATOM 10281 OH2 TIP3W6119 18.382 27.336 -0.200 1.00 0.00 WT1 O
+ATOM 10282 H1 TIP3W6119 18.009 28.255 -0.459 1.00 0.00 WT1 H
+ATOM 10283 H2 TIP3W6119 18.657 27.354 0.742 1.00 0.00 WT1 H
+ATOM 10284 OH2 TIP3W6121 15.774 20.834 10.313 1.00 0.00 WT1 O
+ATOM 10285 H1 TIP3W6121 14.922 21.291 10.227 1.00 0.00 WT1 H
+ATOM 10286 H2 TIP3W6121 16.176 21.193 11.057 1.00 0.00 WT1 H
+ATOM 10287 OH2 TIP3W6128 17.849 22.959 18.888 1.00 0.00 WT1 O
+ATOM 10288 H1 TIP3W6128 17.592 22.723 17.969 1.00 0.00 WT1 H
+ATOM 10289 H2 TIP3W6128 16.998 23.127 19.252 1.00 0.00 WT1 H
+ATOM 10290 OH2 TIP3W6132 19.834 31.002 -18.241 1.00 0.00 WT1 O
+ATOM 10291 H1 TIP3W6132 19.157 30.872 -18.900 1.00 0.00 WT1 H
+ATOM 10292 H2 TIP3W6132 19.749 31.915 -17.965 1.00 0.00 WT1 H
+ATOM 10293 OH2 TIP3W6133 11.265 28.612 -14.010 1.00 0.00 WT1 O
+ATOM 10294 H1 TIP3W6133 10.609 27.894 -13.899 1.00 0.00 WT1 H
+ATOM 10295 H2 TIP3W6133 11.625 28.460 -14.921 1.00 0.00 WT1 H
+ATOM 10296 OH2 TIP3W6135 17.477 21.503 -21.791 1.00 0.00 WT1 O
+ATOM 10297 H1 TIP3W6135 17.731 21.391 -22.748 1.00 0.00 WT1 H
+ATOM 10298 H2 TIP3W6135 18.071 20.830 -21.321 1.00 0.00 WT1 H
+ATOM 10299 OH2 TIP3W6136 14.363 -23.256 -10.624 1.00 0.00 WT1 O
+ATOM 10300 H1 TIP3W6136 14.865 -23.273 -11.457 1.00 0.00 WT1 H
+ATOM 10301 H2 TIP3W6136 13.852 -24.100 -10.704 1.00 0.00 WT1 H
+ATOM 10302 OH2 TIP3W6137 12.572 27.676 -16.291 1.00 0.00 WT1 O
+ATOM 10303 H1 TIP3W6137 13.190 27.139 -15.820 1.00 0.00 WT1 H
+ATOM 10304 H2 TIP3W6137 12.523 27.222 -17.149 1.00 0.00 WT1 H
+ATOM 10305 OH2 TIP3W6138 10.187 -30.148 -10.557 1.00 0.00 WT1 O
+ATOM 10306 H1 TIP3W6138 10.207 -30.940 -9.985 1.00 0.00 WT1 H
+ATOM 10307 H2 TIP3W6138 9.519 -30.394 -11.203 1.00 0.00 WT1 H
+ATOM 10308 OH2 TIP3W6139 13.925 -22.947 3.399 1.00 0.00 WT1 O
+ATOM 10309 H1 TIP3W6139 14.728 -23.357 3.114 1.00 0.00 WT1 H
+ATOM 10310 H2 TIP3W6139 14.024 -21.999 3.032 1.00 0.00 WT1 H
+ATOM 10311 OH2 TIP3W6141 20.466 27.256 -9.439 1.00 0.00 WT1 O
+ATOM 10312 H1 TIP3W6141 20.251 28.014 -9.956 1.00 0.00 WT1 H
+ATOM 10313 H2 TIP3W6141 19.805 27.186 -8.790 1.00 0.00 WT1 H
+ATOM 10314 OH2 TIP3W6142 9.518 27.744 15.707 1.00 0.00 WT1 O
+ATOM 10315 H1 TIP3W6142 8.597 27.425 15.924 1.00 0.00 WT1 H
+ATOM 10316 H2 TIP3W6142 9.614 28.509 16.245 1.00 0.00 WT1 H
+ATOM 10317 OH2 TIP3W6143 10.921 30.126 -0.721 1.00 0.00 WT1 O
+ATOM 10318 H1 TIP3W6143 10.707 30.121 0.233 1.00 0.00 WT1 H
+ATOM 10319 H2 TIP3W6143 11.886 29.940 -0.678 1.00 0.00 WT1 H
+ATOM 10320 OH2 TIP3W6157 20.657 -14.165 1.887 1.00 0.00 WT1 O
+ATOM 10321 H1 TIP3W6157 20.970 -14.159 0.894 1.00 0.00 WT1 H
+ATOM 10322 H2 TIP3W6157 19.723 -14.576 1.906 1.00 0.00 WT1 H
+ATOM 10323 OH2 TIP3W6158 1.279 -30.580 -18.530 1.00 0.00 WT1 O
+ATOM 10324 H1 TIP3W6158 0.940 -31.435 -18.750 1.00 0.00 WT1 H
+ATOM 10325 H2 TIP3W6158 1.897 -30.750 -17.725 1.00 0.00 WT1 H
+ATOM 10326 OH2 TIP3W6160 17.421 26.617 -14.004 1.00 0.00 WT1 O
+ATOM 10327 H1 TIP3W6160 16.834 26.201 -13.327 1.00 0.00 WT1 H
+ATOM 10328 H2 TIP3W6160 16.994 27.422 -14.317 1.00 0.00 WT1 H
+ATOM 10329 OH2 TIP3W6162 11.557 22.788 -6.759 1.00 0.00 WT1 O
+ATOM 10330 H1 TIP3W6162 10.564 22.890 -6.569 1.00 0.00 WT1 H
+ATOM 10331 H2 TIP3W6162 11.806 23.560 -7.248 1.00 0.00 WT1 H
+ATOM 10332 OH2 TIP3W6165 16.052 23.842 13.827 1.00 0.00 WT1 O
+ATOM 10333 H1 TIP3W6165 16.209 23.698 12.854 1.00 0.00 WT1 H
+ATOM 10334 H2 TIP3W6165 15.836 24.830 13.945 1.00 0.00 WT1 H
+ATOM 10335 OH2 TIP3W6168 0.880 27.634 17.501 1.00 0.00 WT1 O
+ATOM 10336 H1 TIP3W6168 -0.032 27.194 17.436 1.00 0.00 WT1 H
+ATOM 10337 H2 TIP3W6168 1.297 26.973 18.071 1.00 0.00 WT1 H
+ATOM 10338 OH2 TIP3W6169 14.273 22.088 14.873 1.00 0.00 WT1 O
+ATOM 10339 H1 TIP3W6169 14.783 22.772 14.370 1.00 0.00 WT1 H
+ATOM 10340 H2 TIP3W6169 14.720 21.287 14.527 1.00 0.00 WT1 H
+ATOM 10341 OH2 TIP3W6177 20.264 -27.248 -21.347 1.00 0.00 WT1 O
+ATOM 10342 H1 TIP3W6177 19.660 -26.692 -20.731 1.00 0.00 WT1 H
+ATOM 10343 H2 TIP3W6177 21.133 -27.031 -20.915 1.00 0.00 WT1 H
+ATOM 10344 OH2 TIP3W6178 14.925 -23.600 -1.063 1.00 0.00 WT1 O
+ATOM 10345 H1 TIP3W6178 15.757 -23.090 -1.217 1.00 0.00 WT1 H
+ATOM 10346 H2 TIP3W6178 14.300 -22.927 -1.327 1.00 0.00 WT1 H
+ATOM 10347 OH2 TIP3W6180 17.646 -25.022 -0.480 1.00 0.00 WT1 O
+ATOM 10348 H1 TIP3W6180 17.562 -24.345 -1.147 1.00 0.00 WT1 H
+ATOM 10349 H2 TIP3W6180 17.109 -24.568 0.233 1.00 0.00 WT1 H
+ATOM 10350 OH2 TIP3W6183 6.703 -29.257 -13.893 1.00 0.00 WT1 O
+ATOM 10351 H1 TIP3W6183 7.364 -28.617 -14.264 1.00 0.00 WT1 H
+ATOM 10352 H2 TIP3W6183 6.175 -29.512 -14.673 1.00 0.00 WT1 H
+ATOM 10353 OH2 TIP3W6184 18.836 -31.613 2.876 1.00 0.00 WT1 O
+ATOM 10354 H1 TIP3W6184 18.574 -31.357 3.754 1.00 0.00 WT1 H
+ATOM 10355 H2 TIP3W6184 18.983 -30.685 2.519 1.00 0.00 WT1 H
+ATOM 10356 OH2 TIP3W6185 21.108 29.714 13.333 1.00 0.00 WT1 O
+ATOM 10357 H1 TIP3W6185 21.279 28.785 13.054 1.00 0.00 WT1 H
+ATOM 10358 H2 TIP3W6185 20.353 29.992 12.761 1.00 0.00 WT1 H
+ATOM 10359 OH2 TIP3W6187 11.422 -30.770 6.670 1.00 0.00 WT1 O
+ATOM 10360 H1 TIP3W6187 12.402 -30.651 6.535 1.00 0.00 WT1 H
+ATOM 10361 H2 TIP3W6187 11.173 -29.844 6.790 1.00 0.00 WT1 H
+ATOM 10362 OH2 TIP3W6188 14.341 -27.603 12.557 1.00 0.00 WT1 O
+ATOM 10363 H1 TIP3W6188 14.957 -28.082 13.157 1.00 0.00 WT1 H
+ATOM 10364 H2 TIP3W6188 14.925 -26.981 12.150 1.00 0.00 WT1 H
+ATOM 10365 OH2 TIP3W6190 11.341 28.566 -3.659 1.00 0.00 WT1 O
+ATOM 10366 H1 TIP3W6190 11.978 28.312 -2.951 1.00 0.00 WT1 H
+ATOM 10367 H2 TIP3W6190 11.185 27.771 -4.158 1.00 0.00 WT1 H
+ATOM 10368 OH2 TIP3W6193 22.304 -27.419 16.177 1.00 0.00 WT1 O
+ATOM 10369 H1 TIP3W6193 22.314 -26.670 15.514 1.00 0.00 WT1 H
+ATOM 10370 H2 TIP3W6193 21.929 -26.955 16.897 1.00 0.00 WT1 H
+ATOM 10371 OH2 TIP3W6195 8.087 -21.406 -19.693 1.00 0.00 WT1 O
+ATOM 10372 H1 TIP3W6195 7.859 -22.303 -19.287 1.00 0.00 WT1 H
+ATOM 10373 H2 TIP3W6195 7.364 -21.234 -20.367 1.00 0.00 WT1 H
+ATOM 10374 OH2 TIP3W6198 16.476 -18.014 -16.468 1.00 0.00 WT1 O
+ATOM 10375 H1 TIP3W6198 16.314 -18.810 -16.014 1.00 0.00 WT1 H
+ATOM 10376 H2 TIP3W6198 15.755 -17.885 -17.108 1.00 0.00 WT1 H
+ATOM 10377 OH2 TIP3W6200 15.586 -30.818 -9.298 1.00 0.00 WT1 O
+ATOM 10378 H1 TIP3W6200 15.377 -29.906 -9.241 1.00 0.00 WT1 H
+ATOM 10379 H2 TIP3W6200 14.629 -31.171 -9.360 1.00 0.00 WT1 H
+ATOM 10380 OH2 TIP3W6208 19.378 -31.648 19.961 1.00 0.00 WT1 O
+ATOM 10381 H1 TIP3W6208 20.071 -31.837 19.284 1.00 0.00 WT1 H
+ATOM 10382 H2 TIP3W6208 18.723 -32.268 19.736 1.00 0.00 WT1 H
+ATOM 10383 OH2 TIP3W6209 21.355 25.938 15.330 1.00 0.00 WT1 O
+ATOM 10384 H1 TIP3W6209 21.665 26.238 16.200 1.00 0.00 WT1 H
+ATOM 10385 H2 TIP3W6209 21.783 25.107 15.178 1.00 0.00 WT1 H
+ATOM 10386 OH2 TIP3W6218 19.656 -24.960 -10.767 1.00 0.00 WT1 O
+ATOM 10387 H1 TIP3W6218 20.185 -24.290 -11.336 1.00 0.00 WT1 H
+ATOM 10388 H2 TIP3W6218 19.806 -24.731 -9.800 1.00 0.00 WT1 H
+ATOM 10389 OH2 TIP3W6219 15.856 -26.425 -19.405 1.00 0.00 WT1 O
+ATOM 10390 H1 TIP3W6219 15.924 -27.212 -18.814 1.00 0.00 WT1 H
+ATOM 10391 H2 TIP3W6219 16.798 -26.429 -19.700 1.00 0.00 WT1 H
+ATOM 10392 OH2 TIP3W6220 10.041 -12.376 -12.238 1.00 0.00 WT1 O
+ATOM 10393 H1 TIP3W6220 9.346 -12.424 -12.960 1.00 0.00 WT1 H
+ATOM 10394 H2 TIP3W6220 9.930 -13.228 -11.730 1.00 0.00 WT1 H
+ATOM 10395 OH2 TIP3W6222 16.287 30.772 14.038 1.00 0.00 WT1 O
+ATOM 10396 H1 TIP3W6222 16.215 31.209 13.139 1.00 0.00 WT1 H
+ATOM 10397 H2 TIP3W6222 17.262 30.718 14.276 1.00 0.00 WT1 H
+ATOM 10398 OH2 TIP3W6224 21.548 -23.550 12.916 1.00 0.00 WT1 O
+ATOM 10399 H1 TIP3W6224 21.785 -22.603 13.132 1.00 0.00 WT1 H
+ATOM 10400 H2 TIP3W6224 21.955 -24.007 13.642 1.00 0.00 WT1 H
+ATOM 10401 OH2 TIP3W6226 20.604 30.046 19.751 1.00 0.00 WT1 O
+ATOM 10402 H1 TIP3W6226 21.299 30.279 20.321 1.00 0.00 WT1 H
+ATOM 10403 H2 TIP3W6226 20.439 29.140 20.017 1.00 0.00 WT1 H
+ATOM 10404 OH2 TIP3W6227 17.252 -14.398 12.338 1.00 0.00 WT1 O
+ATOM 10405 H1 TIP3W6227 16.832 -13.473 12.389 1.00 0.00 WT1 H
+ATOM 10406 H2 TIP3W6227 17.939 -14.285 11.711 1.00 0.00 WT1 H
+ATOM 10407 OH2 TIP3W6228 9.342 -25.504 18.076 1.00 0.00 WT1 O
+ATOM 10408 H1 TIP3W6228 10.026 -25.593 18.777 1.00 0.00 WT1 H
+ATOM 10409 H2 TIP3W6228 9.837 -25.119 17.336 1.00 0.00 WT1 H
+ATOM 10410 OH2 TIP3W6229 21.066 -26.388 3.967 1.00 0.00 WT1 O
+ATOM 10411 H1 TIP3W6229 21.555 -26.858 3.267 1.00 0.00 WT1 H
+ATOM 10412 H2 TIP3W6229 20.901 -27.075 4.678 1.00 0.00 WT1 H
+ATOM 10413 OH2 TIP3W6230 18.848 -4.981 12.361 1.00 0.00 WT1 O
+ATOM 10414 H1 TIP3W6230 19.768 -5.155 12.177 1.00 0.00 WT1 H
+ATOM 10415 H2 TIP3W6230 18.453 -4.761 11.516 1.00 0.00 WT1 H
+ATOM 10416 OH2 TIP3W6231 10.808 -17.099 16.729 1.00 0.00 WT1 O
+ATOM 10417 H1 TIP3W6231 11.555 -17.240 17.329 1.00 0.00 WT1 H
+ATOM 10418 H2 TIP3W6231 10.270 -17.888 16.868 1.00 0.00 WT1 H
+ATOM 10419 OH2 TIP3W6239 17.570 27.278 -17.457 1.00 0.00 WT1 O
+ATOM 10420 H1 TIP3W6239 18.545 27.344 -17.310 1.00 0.00 WT1 H
+ATOM 10421 H2 TIP3W6239 17.215 27.670 -16.676 1.00 0.00 WT1 H
+ATOM 10422 OH2 TIP3W6240 -19.506 -31.458 -11.406 1.00 0.00 WT1 O
+ATOM 10423 H1 TIP3W6240 -18.896 -31.907 -12.022 1.00 0.00 WT1 H
+ATOM 10424 H2 TIP3W6240 -20.390 -31.851 -11.553 1.00 0.00 WT1 H
+ATOM 10425 OH2 TIP3W6241 6.876 -11.383 -12.843 1.00 0.00 WT1 O
+ATOM 10426 H1 TIP3W6241 7.228 -11.644 -13.691 1.00 0.00 WT1 H
+ATOM 10427 H2 TIP3W6241 6.866 -12.288 -12.435 1.00 0.00 WT1 H
+ATOM 10428 OH2 TIP3W6242 20.694 -22.993 -8.573 1.00 0.00 WT1 O
+ATOM 10429 H1 TIP3W6242 20.414 -22.575 -7.779 1.00 0.00 WT1 H
+ATOM 10430 H2 TIP3W6242 21.462 -22.485 -8.797 1.00 0.00 WT1 H
+ATOM 10431 OH2 TIP3W6243 16.528 -22.465 -7.107 1.00 0.00 WT1 O
+ATOM 10432 H1 TIP3W6243 15.747 -23.105 -6.908 1.00 0.00 WT1 H
+ATOM 10433 H2 TIP3W6243 17.206 -23.014 -6.704 1.00 0.00 WT1 H
+ATOM 10434 OH2 TIP3W6246 17.378 -9.932 -15.751 1.00 0.00 WT1 O
+ATOM 10435 H1 TIP3W6246 16.554 -10.090 -16.216 1.00 0.00 WT1 H
+ATOM 10436 H2 TIP3W6246 17.693 -10.809 -15.419 1.00 0.00 WT1 H
+ATOM 10437 OH2 TIP3W6247 6.844 -12.020 11.022 1.00 0.00 WT1 O
+ATOM 10438 H1 TIP3W6247 6.843 -11.029 10.872 1.00 0.00 WT1 H
+ATOM 10439 H2 TIP3W6247 7.572 -12.269 10.443 1.00 0.00 WT1 H
+ATOM 10440 OH2 TIP3W6252 18.361 -22.907 16.537 1.00 0.00 WT1 O
+ATOM 10441 H1 TIP3W6252 18.196 -23.427 15.675 1.00 0.00 WT1 H
+ATOM 10442 H2 TIP3W6252 18.368 -23.605 17.254 1.00 0.00 WT1 H
+ATOM 10443 OH2 TIP3W6256 16.124 -23.597 -12.670 1.00 0.00 WT1 O
+ATOM 10444 H1 TIP3W6256 16.699 -22.842 -12.616 1.00 0.00 WT1 H
+ATOM 10445 H2 TIP3W6256 16.663 -24.353 -12.771 1.00 0.00 WT1 H
+ATOM 10446 OH2 TIP3W6258 11.931 -17.711 -11.871 1.00 0.00 WT1 O
+ATOM 10447 H1 TIP3W6258 11.431 -18.197 -11.247 1.00 0.00 WT1 H
+ATOM 10448 H2 TIP3W6258 12.802 -18.185 -11.969 1.00 0.00 WT1 H
+ATOM 10449 OH2 TIP3W6262 18.093 -0.174 6.876 1.00 0.00 WT1 O
+ATOM 10450 H1 TIP3W6262 17.986 -0.503 7.808 1.00 0.00 WT1 H
+ATOM 10451 H2 TIP3W6262 17.738 0.771 7.022 1.00 0.00 WT1 H
+ATOM 10452 OH2 TIP3W6263 16.806 -9.784 -11.759 1.00 0.00 WT1 O
+ATOM 10453 H1 TIP3W6263 17.553 -9.863 -12.424 1.00 0.00 WT1 H
+ATOM 10454 H2 TIP3W6263 16.305 -10.583 -12.029 1.00 0.00 WT1 H
+ATOM 10455 OH2 TIP3W6266 11.288 -22.473 0.787 1.00 0.00 WT1 O
+ATOM 10456 H1 TIP3W6266 11.880 -21.729 1.056 1.00 0.00 WT1 H
+ATOM 10457 H2 TIP3W6266 11.602 -22.768 -0.049 1.00 0.00 WT1 H
+ATOM 10458 OH2 TIP3W6267 22.152 -24.230 10.185 1.00 0.00 WT1 O
+ATOM 10459 H1 TIP3W6267 21.623 -25.050 10.131 1.00 0.00 WT1 H
+ATOM 10460 H2 TIP3W6267 21.963 -23.819 11.020 1.00 0.00 WT1 H
+ATOM 10461 OH2 TIP3W6269 17.841 -13.210 -8.716 1.00 0.00 WT1 O
+ATOM 10462 H1 TIP3W6269 18.461 -12.463 -8.752 1.00 0.00 WT1 H
+ATOM 10463 H2 TIP3W6269 17.818 -13.397 -7.758 1.00 0.00 WT1 H
+ATOM 10464 OH2 TIP3W6270 21.018 -17.149 4.415 1.00 0.00 WT1 O
+ATOM 10465 H1 TIP3W6270 20.361 -17.333 3.709 1.00 0.00 WT1 H
+ATOM 10466 H2 TIP3W6270 21.283 -18.048 4.795 1.00 0.00 WT1 H
+ATOM 10467 OH2 TIP3W6285 20.836 -7.945 -10.976 1.00 0.00 WT1 O
+ATOM 10468 H1 TIP3W6285 21.756 -7.959 -10.839 1.00 0.00 WT1 H
+ATOM 10469 H2 TIP3W6285 20.693 -8.717 -11.566 1.00 0.00 WT1 H
+ATOM 10470 OH2 TIP3W6289 22.000 -10.597 5.603 1.00 0.00 WT1 O
+ATOM 10471 H1 TIP3W6289 21.645 -10.194 4.772 1.00 0.00 WT1 H
+ATOM 10472 H2 TIP3W6289 21.380 -11.320 5.796 1.00 0.00 WT1 H
+ATOM 10473 OH2 TIP3W6290 20.560 -13.556 4.556 1.00 0.00 WT1 O
+ATOM 10474 H1 TIP3W6290 20.878 -14.147 3.918 1.00 0.00 WT1 H
+ATOM 10475 H2 TIP3W6290 21.291 -13.588 5.236 1.00 0.00 WT1 H
+ATOM 10476 OH2 TIP3W6291 15.647 -25.089 19.517 1.00 0.00 WT1 O
+ATOM 10477 H1 TIP3W6291 15.136 -24.297 19.463 1.00 0.00 WT1 H
+ATOM 10478 H2 TIP3W6291 16.488 -24.942 19.064 1.00 0.00 WT1 H
+ATOM 10479 OH2 TIP3W6297 21.122 -11.148 -15.258 1.00 0.00 WT1 O
+ATOM 10480 H1 TIP3W6297 21.172 -10.403 -14.708 1.00 0.00 WT1 H
+ATOM 10481 H2 TIP3W6297 21.900 -10.966 -15.842 1.00 0.00 WT1 H
+ATOM 10482 OH2 TIP3W6298 13.931 -10.568 21.707 1.00 0.00 WT1 O
+ATOM 10483 H1 TIP3W6298 13.621 -10.966 20.904 1.00 0.00 WT1 H
+ATOM 10484 H2 TIP3W6298 14.390 -11.360 22.022 1.00 0.00 WT1 H
+ATOM 10485 OH2 TIP3W6300 6.017 -7.361 -14.438 1.00 0.00 WT1 O
+ATOM 10486 H1 TIP3W6300 5.610 -6.686 -13.844 1.00 0.00 WT1 H
+ATOM 10487 H2 TIP3W6300 5.759 -7.088 -15.298 1.00 0.00 WT1 H
+ATOM 10488 OH2 TIP3W6302 12.669 5.208 -4.333 1.00 0.00 WT1 O
+ATOM 10489 H1 TIP3W6302 13.051 4.307 -4.319 1.00 0.00 WT1 H
+ATOM 10490 H2 TIP3W6302 11.760 5.080 -4.057 1.00 0.00 WT1 H
+ATOM 10491 OH2 TIP3W6309 13.193 -9.272 -3.062 1.00 0.00 WT1 O
+ATOM 10492 H1 TIP3W6309 13.332 -9.603 -2.162 1.00 0.00 WT1 H
+ATOM 10493 H2 TIP3W6309 12.973 -8.328 -2.969 1.00 0.00 WT1 H
+ATOM 10494 OH2 TIP3W6310 20.739 -22.173 5.603 1.00 0.00 WT1 O
+ATOM 10495 H1 TIP3W6310 20.634 -21.810 4.714 1.00 0.00 WT1 H
+ATOM 10496 H2 TIP3W6310 21.069 -23.078 5.517 1.00 0.00 WT1 H
+ATOM 10497 OH2 TIP3W6311 11.531 -27.623 -10.875 1.00 0.00 WT1 O
+ATOM 10498 H1 TIP3W6311 10.952 -28.358 -10.859 1.00 0.00 WT1 H
+ATOM 10499 H2 TIP3W6311 12.380 -28.006 -10.606 1.00 0.00 WT1 H
+ATOM 10500 OH2 TIP3W6312 21.357 -22.956 22.109 1.00 0.00 WT1 O
+ATOM 10501 H1 TIP3W6312 21.340 -23.340 22.980 1.00 0.00 WT1 H
+ATOM 10502 H2 TIP3W6312 20.879 -23.571 21.496 1.00 0.00 WT1 H
+ATOM 10503 OH2 TIP3W6313 19.187 -3.883 9.505 1.00 0.00 WT1 O
+ATOM 10504 H1 TIP3W6313 19.697 -3.583 8.748 1.00 0.00 WT1 H
+ATOM 10505 H2 TIP3W6313 19.008 -3.024 9.986 1.00 0.00 WT1 H
+ATOM 10506 OH2 TIP3W6314 10.242 -0.420 17.518 1.00 0.00 WT1 O
+ATOM 10507 H1 TIP3W6314 10.556 -0.255 16.594 1.00 0.00 WT1 H
+ATOM 10508 H2 TIP3W6314 11.100 -0.557 17.987 1.00 0.00 WT1 H
+ATOM 10509 OH2 TIP3W6315 11.312 -24.840 16.071 1.00 0.00 WT1 O
+ATOM 10510 H1 TIP3W6315 11.460 -24.194 15.311 1.00 0.00 WT1 H
+ATOM 10511 H2 TIP3W6315 11.706 -25.679 15.782 1.00 0.00 WT1 H
+ATOM 10512 OH2 TIP3W6316 15.521 -24.241 22.216 1.00 0.00 WT1 O
+ATOM 10513 H1 TIP3W6316 16.376 -24.498 22.557 1.00 0.00 WT1 H
+ATOM 10514 H2 TIP3W6316 15.654 -24.438 21.261 1.00 0.00 WT1 H
+ATOM 10515 OH2 TIP3W6319 17.854 -19.991 -22.391 1.00 0.00 WT1 O
+ATOM 10516 H1 TIP3W6319 17.191 -20.192 -21.742 1.00 0.00 WT1 H
+ATOM 10517 H2 TIP3W6319 17.692 -19.031 -22.519 1.00 0.00 WT1 H
+ATOM 10518 OH2 TIP3W6321 14.173 -18.549 -9.953 1.00 0.00 WT1 O
+ATOM 10519 H1 TIP3W6321 14.668 -19.329 -9.894 1.00 0.00 WT1 H
+ATOM 10520 H2 TIP3W6321 14.317 -18.130 -9.100 1.00 0.00 WT1 H
+ATOM 10521 OH2 TIP3W6323 17.312 -1.288 -18.162 1.00 0.00 WT1 O
+ATOM 10522 H1 TIP3W6323 17.394 -2.221 -18.450 1.00 0.00 WT1 H
+ATOM 10523 H2 TIP3W6323 17.715 -1.179 -17.297 1.00 0.00 WT1 H
+ATOM 10524 OH2 TIP3W6324 16.990 8.693 -20.721 1.00 0.00 WT1 O
+ATOM 10525 H1 TIP3W6324 17.718 8.221 -20.304 1.00 0.00 WT1 H
+ATOM 10526 H2 TIP3W6324 17.257 8.755 -21.631 1.00 0.00 WT1 H
+ATOM 10527 OH2 TIP3W6325 4.909 -11.673 -7.135 1.00 0.00 WT1 O
+ATOM 10528 H1 TIP3W6325 5.032 -11.324 -6.260 1.00 0.00 WT1 H
+ATOM 10529 H2 TIP3W6325 3.960 -11.641 -7.223 1.00 0.00 WT1 H
+ATOM 10530 OH2 TIP3W6326 21.760 -0.095 -11.255 1.00 0.00 WT1 O
+ATOM 10531 H1 TIP3W6326 20.822 0.191 -11.206 1.00 0.00 WT1 H
+ATOM 10532 H2 TIP3W6326 21.691 -1.062 -11.319 1.00 0.00 WT1 H
+ATOM 10533 OH2 TIP3W6327 19.191 -16.310 -0.574 1.00 0.00 WT1 O
+ATOM 10534 H1 TIP3W6327 18.789 -15.395 -0.761 1.00 0.00 WT1 H
+ATOM 10535 H2 TIP3W6327 20.177 -16.149 -0.658 1.00 0.00 WT1 H
+ATOM 10536 OH2 TIP3W6330 18.824 -9.553 6.078 1.00 0.00 WT1 O
+ATOM 10537 H1 TIP3W6330 19.599 -9.213 6.410 1.00 0.00 WT1 H
+ATOM 10538 H2 TIP3W6330 18.693 -10.254 6.717 1.00 0.00 WT1 H
+ATOM 10539 OH2 TIP3W6331 19.418 -17.491 1.887 1.00 0.00 WT1 O
+ATOM 10540 H1 TIP3W6331 20.214 -17.870 1.531 1.00 0.00 WT1 H
+ATOM 10541 H2 TIP3W6331 18.865 -17.205 1.144 1.00 0.00 WT1 H
+ATOM 10542 OH2 TIP3W6333 11.490 -16.589 14.021 1.00 0.00 WT1 O
+ATOM 10543 H1 TIP3W6333 11.131 -16.825 14.843 1.00 0.00 WT1 H
+ATOM 10544 H2 TIP3W6333 12.431 -16.860 14.029 1.00 0.00 WT1 H
+ATOM 10545 OH2 TIP3W6334 20.568 -31.143 7.001 1.00 0.00 WT1 O
+ATOM 10546 H1 TIP3W6334 20.479 -31.708 6.225 1.00 0.00 WT1 H
+ATOM 10547 H2 TIP3W6334 19.910 -31.469 7.652 1.00 0.00 WT1 H
+ATOM 10548 OH2 TIP3W6336 13.220 -25.860 22.098 1.00 0.00 WT1 O
+ATOM 10549 H1 TIP3W6336 14.025 -25.568 22.450 1.00 0.00 WT1 H
+ATOM 10550 H2 TIP3W6336 13.547 -26.539 21.517 1.00 0.00 WT1 H
+ATOM 10551 OH2 TIP3W6341 15.329 7.152 -15.587 1.00 0.00 WT1 O
+ATOM 10552 H1 TIP3W6341 14.676 7.548 -15.021 1.00 0.00 WT1 H
+ATOM 10553 H2 TIP3W6341 15.284 7.790 -16.307 1.00 0.00 WT1 H
+ATOM 10554 OH2 TIP3W6345 16.814 -18.002 -19.535 1.00 0.00 WT1 O
+ATOM 10555 H1 TIP3W6345 17.212 -17.100 -19.370 1.00 0.00 WT1 H
+ATOM 10556 H2 TIP3W6345 17.492 -18.506 -19.091 1.00 0.00 WT1 H
+ATOM 10557 OH2 TIP3W6347 14.829 -3.958 -3.944 1.00 0.00 WT1 O
+ATOM 10558 H1 TIP3W6347 13.846 -4.147 -3.987 1.00 0.00 WT1 H
+ATOM 10559 H2 TIP3W6347 15.109 -3.998 -4.835 1.00 0.00 WT1 H
+ATOM 10560 OH2 TIP3W6348 15.679 -7.402 -10.947 1.00 0.00 WT1 O
+ATOM 10561 H1 TIP3W6348 16.307 -8.176 -11.303 1.00 0.00 WT1 H
+ATOM 10562 H2 TIP3W6348 14.820 -7.809 -10.821 1.00 0.00 WT1 H
+ATOM 10563 OH2 TIP3W6351 18.073 -3.729 -0.306 1.00 0.00 WT1 O
+ATOM 10564 H1 TIP3W6351 17.506 -3.529 -1.076 1.00 0.00 WT1 H
+ATOM 10565 H2 TIP3W6351 18.338 -2.836 -0.103 1.00 0.00 WT1 H
+ATOM 10566 OH2 TIP3W6352 9.884 0.159 -0.635 1.00 0.00 WT1 O
+ATOM 10567 H1 TIP3W6352 8.998 0.190 -1.102 1.00 0.00 WT1 H
+ATOM 10568 H2 TIP3W6352 9.610 0.003 0.339 1.00 0.00 WT1 H
+ATOM 10569 OH2 TIP3W6355 11.338 2.377 21.166 1.00 0.00 WT1 O
+ATOM 10570 H1 TIP3W6355 10.385 2.459 20.883 1.00 0.00 WT1 H
+ATOM 10571 H2 TIP3W6355 11.234 1.679 21.874 1.00 0.00 WT1 H
+ATOM 10572 OH2 TIP3W6356 10.844 -6.448 11.875 1.00 0.00 WT1 O
+ATOM 10573 H1 TIP3W6356 10.163 -7.075 12.056 1.00 0.00 WT1 H
+ATOM 10574 H2 TIP3W6356 10.862 -6.373 10.937 1.00 0.00 WT1 H
+ATOM 10575 OH2 TIP3W6357 21.734 -17.431 -17.344 1.00 0.00 WT1 O
+ATOM 10576 H1 TIP3W6357 22.219 -17.881 -18.071 1.00 0.00 WT1 H
+ATOM 10577 H2 TIP3W6357 22.294 -17.466 -16.586 1.00 0.00 WT1 H
+ATOM 10578 OH2 TIP3W6366 17.814 -4.100 -4.442 1.00 0.00 WT1 O
+ATOM 10579 H1 TIP3W6366 17.283 -4.012 -5.226 1.00 0.00 WT1 H
+ATOM 10580 H2 TIP3W6366 17.377 -3.756 -3.717 1.00 0.00 WT1 H
+ATOM 10581 OH2 TIP3W6370 13.831 -11.880 1.615 1.00 0.00 WT1 O
+ATOM 10582 H1 TIP3W6370 13.327 -11.324 2.324 1.00 0.00 WT1 H
+ATOM 10583 H2 TIP3W6370 13.969 -12.788 1.924 1.00 0.00 WT1 H
+ATOM 10584 OH2 TIP3W6375 20.023 -1.832 14.551 1.00 0.00 WT1 O
+ATOM 10585 H1 TIP3W6375 19.846 -0.926 14.686 1.00 0.00 WT1 H
+ATOM 10586 H2 TIP3W6375 19.233 -2.199 14.088 1.00 0.00 WT1 H
+ATOM 10587 OH2 TIP3W6376 19.142 0.200 21.619 1.00 0.00 WT1 O
+ATOM 10588 H1 TIP3W6376 19.433 -0.427 22.256 1.00 0.00 WT1 H
+ATOM 10589 H2 TIP3W6376 18.678 0.851 22.207 1.00 0.00 WT1 H
+ATOM 10590 OH2 TIP3W6381 12.802 -18.206 -20.322 1.00 0.00 WT1 O
+ATOM 10591 H1 TIP3W6381 13.236 -18.990 -20.608 1.00 0.00 WT1 H
+ATOM 10592 H2 TIP3W6381 13.097 -17.524 -20.942 1.00 0.00 WT1 H
+ATOM 10593 OH2 TIP3W6390 21.032 -11.035 -11.755 1.00 0.00 WT1 O
+ATOM 10594 H1 TIP3W6390 20.137 -11.046 -12.057 1.00 0.00 WT1 H
+ATOM 10595 H2 TIP3W6390 20.996 -11.053 -10.740 1.00 0.00 WT1 H
+ATOM 10596 OH2 TIP3W6391 20.259 -1.890 6.047 1.00 0.00 WT1 O
+ATOM 10597 H1 TIP3W6391 20.226 -2.371 5.193 1.00 0.00 WT1 H
+ATOM 10598 H2 TIP3W6391 19.369 -1.436 6.053 1.00 0.00 WT1 H
+ATOM 10599 OH2 TIP3W6395 22.274 -2.330 7.806 1.00 0.00 WT1 O
+ATOM 10600 H1 TIP3W6395 21.633 -1.862 7.251 1.00 0.00 WT1 H
+ATOM 10601 H2 TIP3W6395 22.222 -1.784 8.610 1.00 0.00 WT1 H
+ATOM 10602 OH2 TIP3W6396 20.961 -1.256 10.085 1.00 0.00 WT1 O
+ATOM 10603 H1 TIP3W6396 20.015 -1.023 10.156 1.00 0.00 WT1 H
+ATOM 10604 H2 TIP3W6396 21.391 -0.473 10.358 1.00 0.00 WT1 H
+ATOM 10605 OH2 TIP3W6398 19.318 4.331 14.642 1.00 0.00 WT1 O
+ATOM 10606 H1 TIP3W6398 18.668 5.064 14.846 1.00 0.00 WT1 H
+ATOM 10607 H2 TIP3W6398 20.116 4.598 15.093 1.00 0.00 WT1 H
+ATOM 10608 OH2 TIP3W6399 22.075 13.181 21.072 1.00 0.00 WT1 O
+ATOM 10609 H1 TIP3W6399 21.432 12.517 20.707 1.00 0.00 WT1 H
+ATOM 10610 H2 TIP3W6399 22.248 13.753 20.347 1.00 0.00 WT1 H
+ATOM 10611 OH2 TIP3W6404 12.041 7.070 -22.165 1.00 0.00 WT1 O
+ATOM 10612 H1 TIP3W6404 12.948 7.269 -21.793 1.00 0.00 WT1 H
+ATOM 10613 H2 TIP3W6404 12.070 7.451 -23.066 1.00 0.00 WT1 H
+ATOM 10614 OH2 TIP3W6407 19.631 2.304 -17.905 1.00 0.00 WT1 O
+ATOM 10615 H1 TIP3W6407 20.415 2.811 -17.457 1.00 0.00 WT1 H
+ATOM 10616 H2 TIP3W6407 19.548 1.482 -17.452 1.00 0.00 WT1 H
+ATOM 10617 OH2 TIP3W6408 18.586 3.692 -11.930 1.00 0.00 WT1 O
+ATOM 10618 H1 TIP3W6408 18.041 2.884 -12.124 1.00 0.00 WT1 H
+ATOM 10619 H2 TIP3W6408 17.954 4.233 -11.431 1.00 0.00 WT1 H
+ATOM 10620 OH2 TIP3W6409 17.849 6.177 -16.029 1.00 0.00 WT1 O
+ATOM 10621 H1 TIP3W6409 16.992 6.437 -15.603 1.00 0.00 WT1 H
+ATOM 10622 H2 TIP3W6409 17.609 5.624 -16.776 1.00 0.00 WT1 H
+ATOM 10623 OH2 TIP3W6414 13.400 9.947 7.294 1.00 0.00 WT1 O
+ATOM 10624 H1 TIP3W6414 14.339 9.978 7.558 1.00 0.00 WT1 H
+ATOM 10625 H2 TIP3W6414 13.438 9.432 6.466 1.00 0.00 WT1 H
+ATOM 10626 OH2 TIP3W6417 13.513 -1.366 -2.654 1.00 0.00 WT1 O
+ATOM 10627 H1 TIP3W6417 13.267 -1.863 -3.441 1.00 0.00 WT1 H
+ATOM 10628 H2 TIP3W6417 12.811 -1.444 -2.026 1.00 0.00 WT1 H
+ATOM 10629 OH2 TIP3W6424 19.948 -11.625 22.344 1.00 0.00 WT1 O
+ATOM 10630 H1 TIP3W6424 19.067 -11.324 22.541 1.00 0.00 WT1 H
+ATOM 10631 H2 TIP3W6424 20.302 -11.855 23.201 1.00 0.00 WT1 H
+ATOM 10632 OH2 TIP3W6425 12.120 1.184 -21.648 1.00 0.00 WT1 O
+ATOM 10633 H1 TIP3W6425 12.415 0.691 -20.844 1.00 0.00 WT1 H
+ATOM 10634 H2 TIP3W6425 11.211 1.418 -21.400 1.00 0.00 WT1 H
+ATOM 10635 OH2 TIP3W6428 18.453 -2.774 -20.523 1.00 0.00 WT1 O
+ATOM 10636 H1 TIP3W6428 18.323 -3.603 -20.036 1.00 0.00 WT1 H
+ATOM 10637 H2 TIP3W6428 19.408 -2.736 -20.466 1.00 0.00 WT1 H
+ATOM 10638 OH2 TIP3W6429 13.528 -3.880 -13.724 1.00 0.00 WT1 O
+ATOM 10639 H1 TIP3W6429 13.999 -4.065 -12.913 1.00 0.00 WT1 H
+ATOM 10640 H2 TIP3W6429 14.101 -4.004 -14.470 1.00 0.00 WT1 H
+ATOM 10641 OH2 TIP3W6431 11.069 21.162 -2.438 1.00 0.00 WT1 O
+ATOM 10642 H1 TIP3W6431 11.498 20.915 -3.274 1.00 0.00 WT1 H
+ATOM 10643 H2 TIP3W6431 11.446 22.039 -2.225 1.00 0.00 WT1 H
+ATOM 10644 OH2 TIP3W6433 10.554 19.814 -12.896 1.00 0.00 WT1 O
+ATOM 10645 H1 TIP3W6433 10.126 20.380 -12.255 1.00 0.00 WT1 H
+ATOM 10646 H2 TIP3W6433 11.439 19.592 -12.527 1.00 0.00 WT1 H
+ATOM 10647 OH2 TIP3W6436 11.940 7.774 -5.167 1.00 0.00 WT1 O
+ATOM 10648 H1 TIP3W6436 12.539 7.115 -4.781 1.00 0.00 WT1 H
+ATOM 10649 H2 TIP3W6436 11.412 7.396 -5.904 1.00 0.00 WT1 H
+ATOM 10650 OH2 TIP3W6439 13.524 -0.059 9.229 1.00 0.00 WT1 O
+ATOM 10651 H1 TIP3W6439 13.782 -0.270 8.318 1.00 0.00 WT1 H
+ATOM 10652 H2 TIP3W6439 13.465 -0.933 9.679 1.00 0.00 WT1 H
+ATOM 10653 OH2 TIP3W6440 20.605 4.528 19.037 1.00 0.00 WT1 O
+ATOM 10654 H1 TIP3W6440 20.595 4.026 19.921 1.00 0.00 WT1 H
+ATOM 10655 H2 TIP3W6440 19.711 4.782 18.925 1.00 0.00 WT1 H
+ATOM 10656 OH2 TIP3W6444 18.997 12.437 -22.769 1.00 0.00 WT1 O
+ATOM 10657 H1 TIP3W6444 18.818 11.622 -22.330 1.00 0.00 WT1 H
+ATOM 10658 H2 TIP3W6444 18.488 13.033 -22.282 1.00 0.00 WT1 H
+ATOM 10659 OH2 TIP3W6445 9.604 10.379 17.145 1.00 0.00 WT1 O
+ATOM 10660 H1 TIP3W6445 9.999 11.274 17.117 1.00 0.00 WT1 H
+ATOM 10661 H2 TIP3W6445 8.740 10.451 16.693 1.00 0.00 WT1 H
+ATOM 10662 OH2 TIP3W6448 9.978 10.114 -21.035 1.00 0.00 WT1 O
+ATOM 10663 H1 TIP3W6448 10.693 9.956 -21.671 1.00 0.00 WT1 H
+ATOM 10664 H2 TIP3W6448 9.417 10.762 -21.597 1.00 0.00 WT1 H
+ATOM 10665 OH2 TIP3W6451 12.868 19.287 -21.920 1.00 0.00 WT1 O
+ATOM 10666 H1 TIP3W6451 13.395 19.783 -21.275 1.00 0.00 WT1 H
+ATOM 10667 H2 TIP3W6451 13.417 18.506 -22.015 1.00 0.00 WT1 H
+ATOM 10668 OH2 TIP3W6452 19.336 9.692 -15.374 1.00 0.00 WT1 O
+ATOM 10669 H1 TIP3W6452 19.242 9.993 -16.335 1.00 0.00 WT1 H
+ATOM 10670 H2 TIP3W6452 19.471 10.547 -14.893 1.00 0.00 WT1 H
+ATOM 10671 OH2 TIP3W6456 10.878 0.801 2.414 1.00 0.00 WT1 O
+ATOM 10672 H1 TIP3W6456 10.485 -0.083 2.346 1.00 0.00 WT1 H
+ATOM 10673 H2 TIP3W6456 10.124 1.336 2.143 1.00 0.00 WT1 H
+ATOM 10674 OH2 TIP3W6458 21.004 15.374 12.535 1.00 0.00 WT1 O
+ATOM 10675 H1 TIP3W6458 20.385 15.411 13.274 1.00 0.00 WT1 H
+ATOM 10676 H2 TIP3W6458 21.066 16.346 12.283 1.00 0.00 WT1 H
+ATOM 10677 OH2 TIP3W6459 20.971 8.306 15.899 1.00 0.00 WT1 O
+ATOM 10678 H1 TIP3W6459 21.061 8.209 16.850 1.00 0.00 WT1 H
+ATOM 10679 H2 TIP3W6459 20.248 7.729 15.661 1.00 0.00 WT1 H
+ATOM 10680 OH2 TIP3W6460 14.700 15.322 19.921 1.00 0.00 WT1 O
+ATOM 10681 H1 TIP3W6460 14.786 15.619 20.844 1.00 0.00 WT1 H
+ATOM 10682 H2 TIP3W6460 15.601 15.431 19.624 1.00 0.00 WT1 H
+ATOM 10683 OH2 TIP3W6474 14.887 18.559 -13.846 1.00 0.00 WT1 O
+ATOM 10684 H1 TIP3W6474 14.983 17.575 -14.027 1.00 0.00 WT1 H
+ATOM 10685 H2 TIP3W6474 14.295 18.892 -14.580 1.00 0.00 WT1 H
+ATOM 10686 OH2 TIP3W6476 12.323 24.669 -8.982 1.00 0.00 WT1 O
+ATOM 10687 H1 TIP3W6476 13.194 24.725 -8.522 1.00 0.00 WT1 H
+ATOM 10688 H2 TIP3W6476 12.404 23.915 -9.586 1.00 0.00 WT1 H
+ATOM 10689 OH2 TIP3W6477 11.919 14.130 14.229 1.00 0.00 WT1 O
+ATOM 10690 H1 TIP3W6477 12.776 13.838 14.472 1.00 0.00 WT1 H
+ATOM 10691 H2 TIP3W6477 12.069 14.474 13.351 1.00 0.00 WT1 H
+ATOM 10692 OH2 TIP3W6479 -20.270 18.881 9.486 1.00 0.00 WT1 O
+ATOM 10693 H1 TIP3W6479 -19.575 19.500 9.245 1.00 0.00 WT1 H
+ATOM 10694 H2 TIP3W6479 -20.003 17.994 9.111 1.00 0.00 WT1 H
+ATOM 10695 OH2 TIP3W6483 15.711 2.982 10.603 1.00 0.00 WT1 O
+ATOM 10696 H1 TIP3W6483 15.575 3.932 10.931 1.00 0.00 WT1 H
+ATOM 10697 H2 TIP3W6483 16.230 2.572 11.312 1.00 0.00 WT1 H
+ATOM 10698 OH2 TIP3W6491 16.621 9.693 -7.729 1.00 0.00 WT1 O
+ATOM 10699 H1 TIP3W6491 16.518 10.594 -7.972 1.00 0.00 WT1 H
+ATOM 10700 H2 TIP3W6491 17.111 9.298 -8.477 1.00 0.00 WT1 H
+ATOM 10701 OH2 TIP3W6492 7.615 -4.011 -8.942 1.00 0.00 WT1 O
+ATOM 10702 H1 TIP3W6492 7.204 -3.201 -8.552 1.00 0.00 WT1 H
+ATOM 10703 H2 TIP3W6492 7.721 -4.569 -8.159 1.00 0.00 WT1 H
+ATOM 10704 OH2 TIP3W6493 10.780 19.706 -15.791 1.00 0.00 WT1 O
+ATOM 10705 H1 TIP3W6493 10.680 19.827 -14.831 1.00 0.00 WT1 H
+ATOM 10706 H2 TIP3W6493 9.887 19.585 -16.141 1.00 0.00 WT1 H
+ATOM 10707 OH2 TIP3W6499 13.240 -3.879 -6.365 1.00 0.00 WT1 O
+ATOM 10708 H1 TIP3W6499 12.960 -4.844 -6.177 1.00 0.00 WT1 H
+ATOM 10709 H2 TIP3W6499 12.639 -3.602 -7.073 1.00 0.00 WT1 H
+ATOM 10710 OH2 TIP3W6502 15.443 5.817 10.792 1.00 0.00 WT1 O
+ATOM 10711 H1 TIP3W6502 16.358 5.990 11.183 1.00 0.00 WT1 H
+ATOM 10712 H2 TIP3W6502 15.399 6.399 10.023 1.00 0.00 WT1 H
+ATOM 10713 OH2 TIP3W6504 8.426 19.565 19.430 1.00 0.00 WT1 O
+ATOM 10714 H1 TIP3W6504 8.603 20.331 19.956 1.00 0.00 WT1 H
+ATOM 10715 H2 TIP3W6504 8.929 19.808 18.618 1.00 0.00 WT1 H
+ATOM 10716 OH2 TIP3W6505 13.639 7.593 16.129 1.00 0.00 WT1 O
+ATOM 10717 H1 TIP3W6505 14.425 7.485 16.772 1.00 0.00 WT1 H
+ATOM 10718 H2 TIP3W6505 12.976 7.883 16.775 1.00 0.00 WT1 H
+ATOM 10719 OH2 TIP3W6513 19.720 27.368 -15.116 1.00 0.00 WT1 O
+ATOM 10720 H1 TIP3W6513 19.761 28.110 -14.550 1.00 0.00 WT1 H
+ATOM 10721 H2 TIP3W6513 18.899 26.931 -14.819 1.00 0.00 WT1 H
+ATOM 10722 OH2 TIP3W6516 17.744 25.085 -6.628 1.00 0.00 WT1 O
+ATOM 10723 H1 TIP3W6516 17.385 25.912 -6.999 1.00 0.00 WT1 H
+ATOM 10724 H2 TIP3W6516 18.310 25.455 -5.996 1.00 0.00 WT1 H
+ATOM 10725 OH2 TIP3W6518 19.822 1.994 12.506 1.00 0.00 WT1 O
+ATOM 10726 H1 TIP3W6518 20.678 2.550 12.456 1.00 0.00 WT1 H
+ATOM 10727 H2 TIP3W6518 19.691 1.909 13.483 1.00 0.00 WT1 H
+ATOM 10728 OH2 TIP3W6519 19.954 5.621 -14.052 1.00 0.00 WT1 O
+ATOM 10729 H1 TIP3W6519 19.490 4.812 -13.714 1.00 0.00 WT1 H
+ATOM 10730 H2 TIP3W6519 19.248 6.036 -14.632 1.00 0.00 WT1 H
+ATOM 10731 OH2 TIP3W6525 22.300 17.807 20.093 1.00 0.00 WT1 O
+ATOM 10732 H1 TIP3W6525 21.465 17.915 20.548 1.00 0.00 WT1 H
+ATOM 10733 H2 TIP3W6525 22.383 18.671 19.595 1.00 0.00 WT1 H
+ATOM 10734 OH2 TIP3W6526 21.336 22.315 13.731 1.00 0.00 WT1 O
+ATOM 10735 H1 TIP3W6526 20.456 22.816 13.717 1.00 0.00 WT1 H
+ATOM 10736 H2 TIP3W6526 21.603 22.246 14.729 1.00 0.00 WT1 H
+ATOM 10737 OH2 TIP3W6533 15.054 25.430 -17.780 1.00 0.00 WT1 O
+ATOM 10738 H1 TIP3W6533 15.074 25.406 -16.790 1.00 0.00 WT1 H
+ATOM 10739 H2 TIP3W6533 15.119 26.348 -18.128 1.00 0.00 WT1 H
+ATOM 10740 OH2 TIP3W6539 11.361 18.711 17.029 1.00 0.00 WT1 O
+ATOM 10741 H1 TIP3W6539 11.591 17.836 17.371 1.00 0.00 WT1 H
+ATOM 10742 H2 TIP3W6539 10.407 18.700 16.849 1.00 0.00 WT1 H
+ATOM 10743 OH2 TIP3W6545 22.313 15.217 18.963 1.00 0.00 WT1 O
+ATOM 10744 H1 TIP3W6545 22.065 16.031 19.430 1.00 0.00 WT1 H
+ATOM 10745 H2 TIP3W6545 21.815 15.176 18.130 1.00 0.00 WT1 H
+ATOM 10746 OH2 TIP3W6547 20.903 0.093 19.228 1.00 0.00 WT1 O
+ATOM 10747 H1 TIP3W6547 20.255 0.260 19.916 1.00 0.00 WT1 H
+ATOM 10748 H2 TIP3W6547 20.510 -0.666 18.766 1.00 0.00 WT1 H
+ATOM 10749 OH2 TIP3W6551 14.452 -25.163 -21.512 1.00 0.00 WT1 O
+ATOM 10750 H1 TIP3W6551 13.470 -25.121 -21.337 1.00 0.00 WT1 H
+ATOM 10751 H2 TIP3W6551 14.846 -25.706 -20.749 1.00 0.00 WT1 H
+ATOM 10752 OH2 TIP3W6552 5.785 18.986 -19.467 1.00 0.00 WT1 O
+ATOM 10753 H1 TIP3W6552 6.340 18.898 -20.197 1.00 0.00 WT1 H
+ATOM 10754 H2 TIP3W6552 5.532 18.050 -19.271 1.00 0.00 WT1 H
+ATOM 10755 OH2 TIP3W6554 20.779 15.656 16.792 1.00 0.00 WT1 O
+ATOM 10756 H1 TIP3W6554 19.925 15.164 16.858 1.00 0.00 WT1 H
+ATOM 10757 H2 TIP3W6554 20.621 16.566 17.109 1.00 0.00 WT1 H
+ATOM 10758 OH2 TIP3W6556 8.501 29.036 -19.446 1.00 0.00 WT1 O
+ATOM 10759 H1 TIP3W6556 9.427 28.948 -19.117 1.00 0.00 WT1 H
+ATOM 10760 H2 TIP3W6556 7.920 29.116 -18.700 1.00 0.00 WT1 H
+ATOM 10761 OH2 TIP3W6557 15.566 26.261 5.316 1.00 0.00 WT1 O
+ATOM 10762 H1 TIP3W6557 15.772 26.935 4.564 1.00 0.00 WT1 H
+ATOM 10763 H2 TIP3W6557 16.309 26.397 5.914 1.00 0.00 WT1 H
+ATOM 10764 OH2 TIP3W6558 7.254 28.941 1.043 1.00 0.00 WT1 O
+ATOM 10765 H1 TIP3W6558 7.440 28.893 1.981 1.00 0.00 WT1 H
+ATOM 10766 H2 TIP3W6558 7.094 28.004 0.734 1.00 0.00 WT1 H
+ATOM 10767 OH2 TIP3W6561 17.647 -28.785 11.133 1.00 0.00 WT1 O
+ATOM 10768 H1 TIP3W6561 17.623 -28.439 12.015 1.00 0.00 WT1 H
+ATOM 10769 H2 TIP3W6561 18.448 -28.456 10.810 1.00 0.00 WT1 H
+ATOM 10770 OH2 TIP3W6562 18.600 24.268 7.797 1.00 0.00 WT1 O
+ATOM 10771 H1 TIP3W6562 17.891 23.554 7.960 1.00 0.00 WT1 H
+ATOM 10772 H2 TIP3W6562 19.443 23.733 7.647 1.00 0.00 WT1 H
+ATOM 10773 OH2 TIP3W6568 9.708 24.712 12.605 1.00 0.00 WT1 O
+ATOM 10774 H1 TIP3W6568 8.900 24.266 12.777 1.00 0.00 WT1 H
+ATOM 10775 H2 TIP3W6568 9.638 24.962 11.729 1.00 0.00 WT1 H
+ATOM 10776 OH2 TIP3W6575 14.099 -25.472 -13.436 1.00 0.00 WT1 O
+ATOM 10777 H1 TIP3W6575 13.278 -24.988 -13.411 1.00 0.00 WT1 H
+ATOM 10778 H2 TIP3W6575 14.754 -24.821 -13.228 1.00 0.00 WT1 H
+ATOM 10779 OH2 TIP3W6577 16.081 -29.469 -4.571 1.00 0.00 WT1 O
+ATOM 10780 H1 TIP3W6577 15.475 -28.912 -5.128 1.00 0.00 WT1 H
+ATOM 10781 H2 TIP3W6577 15.638 -29.450 -3.696 1.00 0.00 WT1 H
+ATOM 10782 OH2 TIP3W6578 15.471 -28.293 0.451 1.00 0.00 WT1 O
+ATOM 10783 H1 TIP3W6578 14.588 -28.628 0.135 1.00 0.00 WT1 H
+ATOM 10784 H2 TIP3W6578 15.903 -29.046 0.965 1.00 0.00 WT1 H
+ATOM 10785 OH2 TIP3W6582 21.542 27.162 12.652 1.00 0.00 WT1 O
+ATOM 10786 H1 TIP3W6582 21.763 26.781 13.551 1.00 0.00 WT1 H
+ATOM 10787 H2 TIP3W6582 22.019 26.621 12.022 1.00 0.00 WT1 H
+ATOM 10788 OH2 TIP3W6583 2.845 -27.187 2.839 1.00 0.00 WT1 O
+ATOM 10789 H1 TIP3W6583 3.100 -26.290 2.477 1.00 0.00 WT1 H
+ATOM 10790 H2 TIP3W6583 3.069 -27.141 3.784 1.00 0.00 WT1 H
+ATOM 10791 OH2 TIP3W6597 14.348 -30.785 -15.361 1.00 0.00 WT1 O
+ATOM 10792 H1 TIP3W6597 13.585 -31.156 -15.814 1.00 0.00 WT1 H
+ATOM 10793 H2 TIP3W6597 13.992 -30.366 -14.555 1.00 0.00 WT1 H
+ATOM 10794 OH2 TIP3W6598 15.135 21.019 -5.958 1.00 0.00 WT1 O
+ATOM 10795 H1 TIP3W6598 15.673 20.490 -6.633 1.00 0.00 WT1 H
+ATOM 10796 H2 TIP3W6598 15.789 21.505 -5.443 1.00 0.00 WT1 H
+ATOM 10797 OH2 TIP3W6602 20.043 -12.018 -5.417 1.00 0.00 WT1 O
+ATOM 10798 H1 TIP3W6602 20.547 -12.786 -5.631 1.00 0.00 WT1 H
+ATOM 10799 H2 TIP3W6602 20.373 -11.383 -6.014 1.00 0.00 WT1 H
+ATOM 10800 OH2 TIP3W6603 16.099 -20.010 -6.157 1.00 0.00 WT1 O
+ATOM 10801 H1 TIP3W6603 15.307 -19.612 -6.554 1.00 0.00 WT1 H
+ATOM 10802 H2 TIP3W6603 16.170 -20.844 -6.612 1.00 0.00 WT1 H
+ATOM 10803 OH2 TIP3W6605 1.476 31.874 0.456 1.00 0.00 WT1 O
+ATOM 10804 H1 TIP3W6605 2.411 31.582 0.742 1.00 0.00 WT1 H
+ATOM 10805 H2 TIP3W6605 1.054 31.800 1.260 1.00 0.00 WT1 H
+ATOM 10806 OH2 TIP3W6612 15.848 25.898 18.220 1.00 0.00 WT1 O
+ATOM 10807 H1 TIP3W6612 15.771 26.558 18.892 1.00 0.00 WT1 H
+ATOM 10808 H2 TIP3W6612 16.520 26.251 17.655 1.00 0.00 WT1 H
+ATOM 10809 OH2 TIP3W6614 14.795 -30.474 21.298 1.00 0.00 WT1 O
+ATOM 10810 H1 TIP3W6614 15.063 -30.119 20.460 1.00 0.00 WT1 H
+ATOM 10811 H2 TIP3W6614 15.612 -30.601 21.798 1.00 0.00 WT1 H
+ATOM 10812 OH2 TIP3W6615 19.175 -29.629 -18.887 1.00 0.00 WT1 O
+ATOM 10813 H1 TIP3W6615 19.446 -29.925 -19.737 1.00 0.00 WT1 H
+ATOM 10814 H2 TIP3W6615 19.422 -30.343 -18.276 1.00 0.00 WT1 H
+ATOM 10815 OH2 TIP3W6623 13.319 -9.118 -11.017 1.00 0.00 WT1 O
+ATOM 10816 H1 TIP3W6623 12.819 -9.954 -10.931 1.00 0.00 WT1 H
+ATOM 10817 H2 TIP3W6623 13.513 -9.107 -11.987 1.00 0.00 WT1 H
+ATOM 10818 OH2 TIP3W6624 16.950 26.816 10.672 1.00 0.00 WT1 O
+ATOM 10819 H1 TIP3W6624 17.352 27.549 10.116 1.00 0.00 WT1 H
+ATOM 10820 H2 TIP3W6624 16.796 27.249 11.475 1.00 0.00 WT1 H
+ATOM 10821 OH2 TIP3W6626 8.197 21.768 21.280 1.00 0.00 WT1 O
+ATOM 10822 H1 TIP3W6626 7.505 22.384 20.944 1.00 0.00 WT1 H
+ATOM 10823 H2 TIP3W6626 7.670 21.076 21.718 1.00 0.00 WT1 H
+ATOM 10824 OH2 TIP3W6628 -21.437 -18.382 19.222 1.00 0.00 WT1 O
+ATOM 10825 H1 TIP3W6628 -21.450 -18.501 20.164 1.00 0.00 WT1 H
+ATOM 10826 H2 TIP3W6628 -22.070 -17.741 19.017 1.00 0.00 WT1 H
+ATOM 10827 OH2 TIP3W6631 18.946 28.013 21.011 1.00 0.00 WT1 O
+ATOM 10828 H1 TIP3W6631 19.305 28.088 21.912 1.00 0.00 WT1 H
+ATOM 10829 H2 TIP3W6631 18.085 28.419 21.163 1.00 0.00 WT1 H
+ATOM 10830 OH2 TIP3W6642 20.913 22.016 -12.022 1.00 0.00 WT1 O
+ATOM 10831 H1 TIP3W6642 21.334 21.121 -12.031 1.00 0.00 WT1 H
+ATOM 10832 H2 TIP3W6642 21.350 22.426 -11.303 1.00 0.00 WT1 H
+ATOM 10833 OH2 TIP3W6644 21.822 -16.061 10.228 1.00 0.00 WT1 O
+ATOM 10834 H1 TIP3W6644 22.117 -16.556 10.972 1.00 0.00 WT1 H
+ATOM 10835 H2 TIP3W6644 22.260 -16.574 9.510 1.00 0.00 WT1 H
+ATOM 10836 OH2 TIP3W6650 -18.395 -27.644 21.285 1.00 0.00 WT1 O
+ATOM 10837 H1 TIP3W6650 -17.533 -27.214 21.444 1.00 0.00 WT1 H
+ATOM 10838 H2 TIP3W6650 -18.423 -27.772 20.339 1.00 0.00 WT1 H
+ATOM 10839 OH2 TIP3W6657 20.615 -25.163 20.635 1.00 0.00 WT1 O
+ATOM 10840 H1 TIP3W6657 20.880 -25.910 21.236 1.00 0.00 WT1 H
+ATOM 10841 H2 TIP3W6657 21.013 -25.389 19.825 1.00 0.00 WT1 H
+ATOM 10842 OH2 TIP3W6660 18.454 -8.468 -9.342 1.00 0.00 WT1 O
+ATOM 10843 H1 TIP3W6660 19.240 -8.182 -9.845 1.00 0.00 WT1 H
+ATOM 10844 H2 TIP3W6660 17.890 -8.778 -10.070 1.00 0.00 WT1 H
+ATOM 10845 OH2 TIP3W6661 14.002 -14.170 -17.889 1.00 0.00 WT1 O
+ATOM 10846 H1 TIP3W6661 13.553 -14.004 -18.715 1.00 0.00 WT1 H
+ATOM 10847 H2 TIP3W6661 13.929 -15.128 -17.829 1.00 0.00 WT1 H
+ATOM 10848 OH2 TIP3W6663 14.128 -22.477 6.442 1.00 0.00 WT1 O
+ATOM 10849 H1 TIP3W6663 14.550 -21.592 6.540 1.00 0.00 WT1 H
+ATOM 10850 H2 TIP3W6663 14.029 -22.520 5.485 1.00 0.00 WT1 H
+ATOM 10851 OH2 TIP3W6664 19.480 -16.192 -3.768 1.00 0.00 WT1 O
+ATOM 10852 H1 TIP3W6664 18.760 -16.668 -4.147 1.00 0.00 WT1 H
+ATOM 10853 H2 TIP3W6664 19.003 -15.420 -3.473 1.00 0.00 WT1 H
+ATOM 10854 OH2 TIP3W6667 12.409 -30.222 15.351 1.00 0.00 WT1 O
+ATOM 10855 H1 TIP3W6667 11.755 -30.587 14.722 1.00 0.00 WT1 H
+ATOM 10856 H2 TIP3W6667 11.876 -29.475 15.755 1.00 0.00 WT1 H
+ATOM 10857 OH2 TIP3W6669 13.249 -25.481 8.951 1.00 0.00 WT1 O
+ATOM 10858 H1 TIP3W6669 14.050 -25.809 8.422 1.00 0.00 WT1 H
+ATOM 10859 H2 TIP3W6669 13.048 -26.297 9.535 1.00 0.00 WT1 H
+ATOM 10860 OH2 TIP3W6671 -21.689 -19.594 -2.254 1.00 0.00 WT1 O
+ATOM 10861 H1 TIP3W6671 -21.352 -18.830 -1.705 1.00 0.00 WT1 H
+ATOM 10862 H2 TIP3W6671 -21.476 -20.324 -1.752 1.00 0.00 WT1 H
+ATOM 10863 OH2 TIP3W6672 10.099 -22.967 11.685 1.00 0.00 WT1 O
+ATOM 10864 H1 TIP3W6672 9.461 -23.482 11.129 1.00 0.00 WT1 H
+ATOM 10865 H2 TIP3W6672 10.695 -22.608 11.011 1.00 0.00 WT1 H
+ATOM 10866 OH2 TIP3W6679 22.155 -20.453 -17.139 1.00 0.00 WT1 O
+ATOM 10867 H1 TIP3W6679 22.443 -19.926 -17.913 1.00 0.00 WT1 H
+ATOM 10868 H2 TIP3W6679 21.549 -19.807 -16.785 1.00 0.00 WT1 H
+ATOM 10869 OH2 TIP3W6681 14.040 -11.457 -21.409 1.00 0.00 WT1 O
+ATOM 10870 H1 TIP3W6681 13.805 -10.533 -21.083 1.00 0.00 WT1 H
+ATOM 10871 H2 TIP3W6681 14.505 -11.842 -20.608 1.00 0.00 WT1 H
+ATOM 10872 OH2 TIP3W6683 20.207 -21.997 8.637 1.00 0.00 WT1 O
+ATOM 10873 H1 TIP3W6683 20.653 -22.524 7.947 1.00 0.00 WT1 H
+ATOM 10874 H2 TIP3W6683 19.356 -22.443 8.646 1.00 0.00 WT1 H
+ATOM 10875 OH2 TIP3W6684 5.326 -21.434 -19.122 1.00 0.00 WT1 O
+ATOM 10876 H1 TIP3W6684 4.384 -21.717 -19.119 1.00 0.00 WT1 H
+ATOM 10877 H2 TIP3W6684 5.200 -20.466 -19.259 1.00 0.00 WT1 H
+ATOM 10878 OH2 TIP3W6693 11.527 -22.560 17.587 1.00 0.00 WT1 O
+ATOM 10879 H1 TIP3W6693 11.643 -23.470 17.332 1.00 0.00 WT1 H
+ATOM 10880 H2 TIP3W6693 10.535 -22.468 17.466 1.00 0.00 WT1 H
+ATOM 10881 OH2 TIP3W6698 19.065 -18.892 -17.953 1.00 0.00 WT1 O
+ATOM 10882 H1 TIP3W6698 19.663 -18.538 -17.203 1.00 0.00 WT1 H
+ATOM 10883 H2 TIP3W6698 18.594 -19.659 -17.633 1.00 0.00 WT1 H
+ATOM 10884 OH2 TIP3W6703 11.822 -19.884 -9.526 1.00 0.00 WT1 O
+ATOM 10885 H1 TIP3W6703 11.431 -19.096 -9.236 1.00 0.00 WT1 H
+ATOM 10886 H2 TIP3W6703 12.721 -19.527 -9.824 1.00 0.00 WT1 H
+ATOM 10887 OH2 TIP3W6705 11.658 -10.258 -5.331 1.00 0.00 WT1 O
+ATOM 10888 H1 TIP3W6705 12.325 -10.296 -4.625 1.00 0.00 WT1 H
+ATOM 10889 H2 TIP3W6705 12.160 -10.495 -6.104 1.00 0.00 WT1 H
+ATOM 10890 OH2 TIP3W6707 12.761 -27.679 6.578 1.00 0.00 WT1 O
+ATOM 10891 H1 TIP3W6707 13.342 -27.079 6.089 1.00 0.00 WT1 H
+ATOM 10892 H2 TIP3W6707 13.240 -28.474 6.500 1.00 0.00 WT1 H
+ATOM 10893 OH2 TIP3W6708 18.823 -10.369 0.522 1.00 0.00 WT1 O
+ATOM 10894 H1 TIP3W6708 17.922 -10.107 0.870 1.00 0.00 WT1 H
+ATOM 10895 H2 TIP3W6708 19.221 -10.744 1.288 1.00 0.00 WT1 H
+ATOM 10896 OH2 TIP3W6717 13.592 -15.475 20.983 1.00 0.00 WT1 O
+ATOM 10897 H1 TIP3W6717 13.757 -14.692 21.504 1.00 0.00 WT1 H
+ATOM 10898 H2 TIP3W6717 12.622 -15.451 21.018 1.00 0.00 WT1 H
+ATOM 10899 OH2 TIP3W6721 17.142 -13.321 -15.288 1.00 0.00 WT1 O
+ATOM 10900 H1 TIP3W6721 17.970 -13.042 -15.776 1.00 0.00 WT1 H
+ATOM 10901 H2 TIP3W6721 17.212 -14.282 -15.309 1.00 0.00 WT1 H
+ATOM 10902 OH2 TIP3W6722 19.225 -1.228 -3.893 1.00 0.00 WT1 O
+ATOM 10903 H1 TIP3W6722 19.992 -0.798 -4.317 1.00 0.00 WT1 H
+ATOM 10904 H2 TIP3W6722 18.911 -1.755 -4.537 1.00 0.00 WT1 H
+ATOM 10905 OH2 TIP3W6725 17.313 -27.440 -1.526 1.00 0.00 WT1 O
+ATOM 10906 H1 TIP3W6725 16.709 -27.979 -1.061 1.00 0.00 WT1 H
+ATOM 10907 H2 TIP3W6725 17.680 -26.912 -0.826 1.00 0.00 WT1 H
+ATOM 10908 OH2 TIP3W6726 -4.573 -15.795 -4.328 1.00 0.00 WT1 O
+ATOM 10909 H1 TIP3W6726 -3.625 -15.644 -4.324 1.00 0.00 WT1 H
+ATOM 10910 H2 TIP3W6726 -4.683 -16.555 -4.961 1.00 0.00 WT1 H
+ATOM 10911 OH2 TIP3W6727 18.568 -28.572 -6.516 1.00 0.00 WT1 O
+ATOM 10912 H1 TIP3W6727 18.545 -27.838 -5.969 1.00 0.00 WT1 H
+ATOM 10913 H2 TIP3W6727 19.117 -29.258 -6.032 1.00 0.00 WT1 H
+ATOM 10914 OH2 TIP3W6729 20.944 -11.152 -1.137 1.00 0.00 WT1 O
+ATOM 10915 H1 TIP3W6729 20.091 -10.745 -0.760 1.00 0.00 WT1 H
+ATOM 10916 H2 TIP3W6729 20.952 -10.843 -2.037 1.00 0.00 WT1 H
+ATOM 10917 OH2 TIP3W6730 20.434 -18.686 -3.012 1.00 0.00 WT1 O
+ATOM 10918 H1 TIP3W6730 19.559 -18.888 -3.153 1.00 0.00 WT1 H
+ATOM 10919 H2 TIP3W6730 20.484 -17.706 -3.189 1.00 0.00 WT1 H
+ATOM 10920 OH2 TIP3W6735 21.252 -8.045 20.783 1.00 0.00 WT1 O
+ATOM 10921 H1 TIP3W6735 21.710 -7.314 20.360 1.00 0.00 WT1 H
+ATOM 10922 H2 TIP3W6735 21.096 -7.698 21.662 1.00 0.00 WT1 H
+ATOM 10923 OH2 TIP3W6736 19.607 -12.792 17.085 1.00 0.00 WT1 O
+ATOM 10924 H1 TIP3W6736 19.554 -11.923 17.570 1.00 0.00 WT1 H
+ATOM 10925 H2 TIP3W6736 20.260 -12.658 16.404 1.00 0.00 WT1 H
+ATOM 10926 OH2 TIP3W6743 20.883 -19.029 -14.771 1.00 0.00 WT1 O
+ATOM 10927 H1 TIP3W6743 20.155 -18.577 -14.410 1.00 0.00 WT1 H
+ATOM 10928 H2 TIP3W6743 21.525 -18.415 -14.455 1.00 0.00 WT1 H
+ATOM 10929 OH2 TIP3W6750 19.098 -19.320 -6.472 1.00 0.00 WT1 O
+ATOM 10930 H1 TIP3W6750 18.412 -19.364 -7.141 1.00 0.00 WT1 H
+ATOM 10931 H2 TIP3W6750 18.611 -18.965 -5.671 1.00 0.00 WT1 H
+ATOM 10932 OH2 TIP3W6751 -19.538 -5.962 8.946 1.00 0.00 WT1 O
+ATOM 10933 H1 TIP3W6751 -19.205 -6.671 9.539 1.00 0.00 WT1 H
+ATOM 10934 H2 TIP3W6751 -20.486 -5.978 9.145 1.00 0.00 WT1 H
+ATOM 10935 OH2 TIP3W6754 20.351 -28.079 21.816 1.00 0.00 WT1 O
+ATOM 10936 H1 TIP3W6754 19.921 -28.336 22.640 1.00 0.00 WT1 H
+ATOM 10937 H2 TIP3W6754 19.788 -28.353 21.078 1.00 0.00 WT1 H
+ATOM 10938 OH2 TIP3W6758 13.260 -22.477 22.293 1.00 0.00 WT1 O
+ATOM 10939 H1 TIP3W6758 13.860 -21.826 21.820 1.00 0.00 WT1 H
+ATOM 10940 H2 TIP3W6758 13.692 -23.283 22.140 1.00 0.00 WT1 H
+ATOM 10941 OH2 TIP3W6762 21.377 -6.801 -20.538 1.00 0.00 WT1 O
+ATOM 10942 H1 TIP3W6762 22.175 -7.209 -20.206 1.00 0.00 WT1 H
+ATOM 10943 H2 TIP3W6762 21.761 -6.157 -21.204 1.00 0.00 WT1 H
+ATOM 10944 OH2 TIP3W6763 20.277 -9.249 -21.806 1.00 0.00 WT1 O
+ATOM 10945 H1 TIP3W6763 20.466 -9.271 -22.732 1.00 0.00 WT1 H
+ATOM 10946 H2 TIP3W6763 20.611 -8.329 -21.603 1.00 0.00 WT1 H
+ATOM 10947 OH2 TIP3W6773 -18.065 -3.189 19.973 1.00 0.00 WT1 O
+ATOM 10948 H1 TIP3W6773 -18.931 -3.650 20.261 1.00 0.00 WT1 H
+ATOM 10949 H2 TIP3W6773 -18.474 -2.355 19.744 1.00 0.00 WT1 H
+ATOM 10950 OH2 TIP3W6774 5.859 -3.853 5.238 1.00 0.00 WT1 O
+ATOM 10951 H1 TIP3W6774 6.736 -4.253 5.180 1.00 0.00 WT1 H
+ATOM 10952 H2 TIP3W6774 5.226 -4.648 5.316 1.00 0.00 WT1 H
+ATOM 10953 OH2 TIP3W6777 18.982 -28.945 19.651 1.00 0.00 WT1 O
+ATOM 10954 H1 TIP3W6777 18.792 -29.789 19.230 1.00 0.00 WT1 H
+ATOM 10955 H2 TIP3W6777 18.093 -28.548 19.754 1.00 0.00 WT1 H
+ATOM 10956 OH2 TIP3W6788 20.446 -5.674 -7.059 1.00 0.00 WT1 O
+ATOM 10957 H1 TIP3W6788 20.252 -5.451 -6.166 1.00 0.00 WT1 H
+ATOM 10958 H2 TIP3W6788 19.621 -6.212 -7.249 1.00 0.00 WT1 H
+ATOM 10959 OH2 TIP3W6789 18.546 -1.982 11.936 1.00 0.00 WT1 O
+ATOM 10960 H1 TIP3W6789 18.249 -2.681 12.575 1.00 0.00 WT1 H
+ATOM 10961 H2 TIP3W6789 17.787 -1.376 11.913 1.00 0.00 WT1 H
+ATOM 10962 OH2 TIP3W6791 21.285 -2.876 -11.983 1.00 0.00 WT1 O
+ATOM 10963 H1 TIP3W6791 21.746 -2.954 -11.099 1.00 0.00 WT1 H
+ATOM 10964 H2 TIP3W6791 20.590 -3.622 -11.852 1.00 0.00 WT1 H
+ATOM 10965 OH2 TIP3W6794 20.075 -12.263 7.378 1.00 0.00 WT1 O
+ATOM 10966 H1 TIP3W6794 20.767 -12.925 7.161 1.00 0.00 WT1 H
+ATOM 10967 H2 TIP3W6794 19.522 -12.738 8.014 1.00 0.00 WT1 H
+ATOM 10968 OH2 TIP3W6795 22.004 -5.558 19.720 1.00 0.00 WT1 O
+ATOM 10969 H1 TIP3W6795 22.360 -5.206 20.551 1.00 0.00 WT1 H
+ATOM 10970 H2 TIP3W6795 22.449 -4.998 18.981 1.00 0.00 WT1 H
+ATOM 10971 OH2 TIP3W6802 8.573 -11.683 16.890 1.00 0.00 WT1 O
+ATOM 10972 H1 TIP3W6802 7.865 -12.136 16.392 1.00 0.00 WT1 H
+ATOM 10973 H2 TIP3W6802 8.209 -11.442 17.702 1.00 0.00 WT1 H
+ATOM 10974 OH2 TIP3W6803 19.126 -0.903 -15.986 1.00 0.00 WT1 O
+ATOM 10975 H1 TIP3W6803 19.880 -1.276 -15.489 1.00 0.00 WT1 H
+ATOM 10976 H2 TIP3W6803 18.402 -0.855 -15.316 1.00 0.00 WT1 H
+ATOM 10977 OH2 TIP3W6808 17.241 -3.241 3.943 1.00 0.00 WT1 O
+ATOM 10978 H1 TIP3W6808 18.182 -3.003 4.100 1.00 0.00 WT1 H
+ATOM 10979 H2 TIP3W6808 17.314 -3.941 3.257 1.00 0.00 WT1 H
+ATOM 10980 OH2 TIP3W6811 15.755 18.170 -3.792 1.00 0.00 WT1 O
+ATOM 10981 H1 TIP3W6811 16.415 17.545 -3.415 1.00 0.00 WT1 H
+ATOM 10982 H2 TIP3W6811 15.536 17.775 -4.664 1.00 0.00 WT1 H
+ATOM 10983 OH2 TIP3W6813 10.739 -18.277 -5.345 1.00 0.00 WT1 O
+ATOM 10984 H1 TIP3W6813 10.964 -18.921 -6.045 1.00 0.00 WT1 H
+ATOM 10985 H2 TIP3W6813 10.251 -17.521 -5.759 1.00 0.00 WT1 H
+ATOM 10986 OH2 TIP3W6815 11.273 18.321 -1.150 1.00 0.00 WT1 O
+ATOM 10987 H1 TIP3W6815 12.135 18.609 -1.475 1.00 0.00 WT1 H
+ATOM 10988 H2 TIP3W6815 10.800 19.179 -0.941 1.00 0.00 WT1 H
+ATOM 10989 OH2 TIP3W6816 18.009 6.453 11.490 1.00 0.00 WT1 O
+ATOM 10990 H1 TIP3W6816 18.080 7.412 11.187 1.00 0.00 WT1 H
+ATOM 10991 H2 TIP3W6816 18.787 6.309 12.001 1.00 0.00 WT1 H
+ATOM 10992 OH2 TIP3W6817 17.501 -14.599 17.077 1.00 0.00 WT1 O
+ATOM 10993 H1 TIP3W6817 18.192 -13.888 17.191 1.00 0.00 WT1 H
+ATOM 10994 H2 TIP3W6817 17.833 -15.044 16.294 1.00 0.00 WT1 H
+ATOM 10995 OH2 TIP3W6819 20.971 -12.521 12.203 1.00 0.00 WT1 O
+ATOM 10996 H1 TIP3W6819 20.011 -12.368 12.393 1.00 0.00 WT1 H
+ATOM 10997 H2 TIP3W6819 21.099 -12.822 11.274 1.00 0.00 WT1 H
+ATOM 10998 OH2 TIP3W6820 16.447 -11.678 19.086 1.00 0.00 WT1 O
+ATOM 10999 H1 TIP3W6820 17.146 -11.282 18.540 1.00 0.00 WT1 H
+ATOM 11000 H2 TIP3W6820 15.661 -11.635 18.505 1.00 0.00 WT1 H
+ATOM 11001 OH2 TIP3W6830 11.042 17.550 1.741 1.00 0.00 WT1 O
+ATOM 11002 H1 TIP3W6830 11.908 17.057 1.885 1.00 0.00 WT1 H
+ATOM 11003 H2 TIP3W6830 11.040 17.583 0.720 1.00 0.00 WT1 H
+ATOM 11004 OH2 TIP3W6832 18.346 1.584 -0.548 1.00 0.00 WT1 O
+ATOM 11005 H1 TIP3W6832 19.016 1.862 0.092 1.00 0.00 WT1 H
+ATOM 11006 H2 TIP3W6832 17.795 2.418 -0.691 1.00 0.00 WT1 H
+ATOM 11007 OH2 TIP3W6834 3.161 1.760 -19.433 1.00 0.00 WT1 O
+ATOM 11008 H1 TIP3W6834 2.929 2.329 -20.246 1.00 0.00 WT1 H
+ATOM 11009 H2 TIP3W6834 2.381 1.779 -18.796 1.00 0.00 WT1 H
+ATOM 11010 OH2 TIP3W6835 18.033 2.926 4.697 1.00 0.00 WT1 O
+ATOM 11011 H1 TIP3W6835 18.650 3.468 4.171 1.00 0.00 WT1 H
+ATOM 11012 H2 TIP3W6835 18.154 3.205 5.584 1.00 0.00 WT1 H
+ATOM 11013 OH2 TIP3W6837 15.762 -12.217 9.033 1.00 0.00 WT1 O
+ATOM 11014 H1 TIP3W6837 15.516 -11.367 8.597 1.00 0.00 WT1 H
+ATOM 11015 H2 TIP3W6837 14.893 -12.553 9.348 1.00 0.00 WT1 H
+ATOM 11016 OH2 TIP3W6846 19.526 1.301 -22.768 1.00 0.00 WT1 O
+ATOM 11017 H1 TIP3W6846 19.260 0.934 -21.888 1.00 0.00 WT1 H
+ATOM 11018 H2 TIP3W6846 20.394 0.857 -22.974 1.00 0.00 WT1 H
+ATOM 11019 OH2 TIP3W6848 15.619 9.807 -16.453 1.00 0.00 WT1 O
+ATOM 11020 H1 TIP3W6848 15.535 10.639 -15.984 1.00 0.00 WT1 H
+ATOM 11021 H2 TIP3W6848 15.809 10.053 -17.394 1.00 0.00 WT1 H
+ATOM 11022 OH2 TIP3W6851 17.942 5.163 -6.603 1.00 0.00 WT1 O
+ATOM 11023 H1 TIP3W6851 17.603 4.273 -6.299 1.00 0.00 WT1 H
+ATOM 11024 H2 TIP3W6851 18.711 4.886 -7.101 1.00 0.00 WT1 H
+ATOM 11025 OH2 TIP3W6852 15.436 12.344 -15.671 1.00 0.00 WT1 O
+ATOM 11026 H1 TIP3W6852 14.642 12.598 -15.153 1.00 0.00 WT1 H
+ATOM 11027 H2 TIP3W6852 15.088 12.611 -16.540 1.00 0.00 WT1 H
+ATOM 11028 OH2 TIP3W6854 14.342 1.620 -5.186 1.00 0.00 WT1 O
+ATOM 11029 H1 TIP3W6854 14.264 0.717 -5.577 1.00 0.00 WT1 H
+ATOM 11030 H2 TIP3W6854 15.076 2.022 -5.679 1.00 0.00 WT1 H
+ATOM 11031 OH2 TIP3W6855 10.654 -8.514 -2.277 1.00 0.00 WT1 O
+ATOM 11032 H1 TIP3W6855 10.919 -7.892 -1.630 1.00 0.00 WT1 H
+ATOM 11033 H2 TIP3W6855 10.547 -9.294 -1.762 1.00 0.00 WT1 H
+ATOM 11034 OH2 TIP3W6859 18.851 0.604 10.322 1.00 0.00 WT1 O
+ATOM 11035 H1 TIP3W6859 19.155 0.941 11.191 1.00 0.00 WT1 H
+ATOM 11036 H2 TIP3W6859 18.736 1.426 9.828 1.00 0.00 WT1 H
+ATOM 11037 OH2 TIP3W6867 5.760 0.689 -6.912 1.00 0.00 WT1 O
+ATOM 11038 H1 TIP3W6867 5.820 1.660 -6.744 1.00 0.00 WT1 H
+ATOM 11039 H2 TIP3W6867 4.788 0.566 -7.045 1.00 0.00 WT1 H
+ATOM 11040 OH2 TIP3W6877 9.204 -1.758 5.679 1.00 0.00 WT1 O
+ATOM 11041 H1 TIP3W6877 9.162 -0.904 6.074 1.00 0.00 WT1 H
+ATOM 11042 H2 TIP3W6877 10.145 -2.010 5.777 1.00 0.00 WT1 H
+ATOM 11043 OH2 TIP3W6882 18.861 4.489 9.563 1.00 0.00 WT1 O
+ATOM 11044 H1 TIP3W6882 18.492 4.694 10.443 1.00 0.00 WT1 H
+ATOM 11045 H2 TIP3W6882 19.723 4.859 9.630 1.00 0.00 WT1 H
+ATOM 11046 OH2 TIP3W6887 22.166 10.976 -13.375 1.00 0.00 WT1 O
+ATOM 11047 H1 TIP3W6887 22.009 10.455 -12.530 1.00 0.00 WT1 H
+ATOM 11048 H2 TIP3W6887 21.256 11.180 -13.657 1.00 0.00 WT1 H
+ATOM 11049 OH2 TIP3W6889 13.455 15.619 -13.503 1.00 0.00 WT1 O
+ATOM 11050 H1 TIP3W6889 12.550 15.598 -13.189 1.00 0.00 WT1 H
+ATOM 11051 H2 TIP3W6889 13.493 14.798 -14.034 1.00 0.00 WT1 H
+ATOM 11052 OH2 TIP3W6894 20.499 17.117 7.519 1.00 0.00 WT1 O
+ATOM 11053 H1 TIP3W6894 21.126 17.886 7.323 1.00 0.00 WT1 H
+ATOM 11054 H2 TIP3W6894 19.718 17.469 7.150 1.00 0.00 WT1 H
+ATOM 11055 OH2 TIP3W6897 20.568 8.561 0.760 1.00 0.00 WT1 O
+ATOM 11056 H1 TIP3W6897 20.229 9.406 0.408 1.00 0.00 WT1 H
+ATOM 11057 H2 TIP3W6897 21.117 8.773 1.474 1.00 0.00 WT1 H
+ATOM 11058 OH2 TIP3W6901 18.984 0.795 14.878 1.00 0.00 WT1 O
+ATOM 11059 H1 TIP3W6901 18.827 1.539 15.498 1.00 0.00 WT1 H
+ATOM 11060 H2 TIP3W6901 18.498 0.105 15.353 1.00 0.00 WT1 H
+ATOM 11061 OH2 TIP3W6902 7.001 10.060 19.063 1.00 0.00 WT1 O
+ATOM 11062 H1 TIP3W6902 6.327 10.523 19.620 1.00 0.00 WT1 H
+ATOM 11063 H2 TIP3W6902 7.821 10.263 19.571 1.00 0.00 WT1 H
+ATOM 11064 OH2 TIP3W6917 14.723 -0.469 6.831 1.00 0.00 WT1 O
+ATOM 11065 H1 TIP3W6917 14.820 -1.375 6.459 1.00 0.00 WT1 H
+ATOM 11066 H2 TIP3W6917 15.288 0.054 6.252 1.00 0.00 WT1 H
+ATOM 11067 OH2 TIP3W6918 18.655 15.266 8.713 1.00 0.00 WT1 O
+ATOM 11068 H1 TIP3W6918 19.419 15.593 8.172 1.00 0.00 WT1 H
+ATOM 11069 H2 TIP3W6918 19.059 14.417 8.951 1.00 0.00 WT1 H
+ATOM 11070 OH2 TIP3W6928 18.085 15.591 -18.115 1.00 0.00 WT1 O
+ATOM 11071 H1 TIP3W6928 18.903 15.125 -18.392 1.00 0.00 WT1 H
+ATOM 11072 H2 TIP3W6928 17.856 16.255 -18.814 1.00 0.00 WT1 H
+ATOM 11073 OH2 TIP3W6930 16.665 18.140 -19.206 1.00 0.00 WT1 O
+ATOM 11074 H1 TIP3W6930 17.046 18.467 -20.033 1.00 0.00 WT1 H
+ATOM 11075 H2 TIP3W6930 16.921 18.810 -18.567 1.00 0.00 WT1 H
+ATOM 11076 OH2 TIP3W6939 14.839 17.751 3.429 1.00 0.00 WT1 O
+ATOM 11077 H1 TIP3W6939 14.167 17.267 2.882 1.00 0.00 WT1 H
+ATOM 11078 H2 TIP3W6939 14.951 17.116 4.154 1.00 0.00 WT1 H
+ATOM 11079 OH2 TIP3W6942 19.080 20.871 16.353 1.00 0.00 WT1 O
+ATOM 11080 H1 TIP3W6942 18.542 21.608 15.909 1.00 0.00 WT1 H
+ATOM 11081 H2 TIP3W6942 18.426 20.445 16.946 1.00 0.00 WT1 H
+ATOM 11082 OH2 TIP3W6952 19.871 -28.039 -10.706 1.00 0.00 WT1 O
+ATOM 11083 H1 TIP3W6952 19.553 -27.101 -10.739 1.00 0.00 WT1 H
+ATOM 11084 H2 TIP3W6952 20.623 -27.963 -10.077 1.00 0.00 WT1 H
+ATOM 11085 OH2 TIP3W6954 19.447 16.682 -1.768 1.00 0.00 WT1 O
+ATOM 11086 H1 TIP3W6954 19.561 16.818 -0.804 1.00 0.00 WT1 H
+ATOM 11087 H2 TIP3W6954 19.939 17.398 -2.263 1.00 0.00 WT1 H
+ATOM 11088 OH2 TIP3W6956 17.024 24.711 -0.418 1.00 0.00 WT1 O
+ATOM 11089 H1 TIP3W6956 17.680 24.185 0.099 1.00 0.00 WT1 H
+ATOM 11090 H2 TIP3W6956 17.455 25.594 -0.480 1.00 0.00 WT1 H
+ATOM 11091 OH2 TIP3W6957 4.651 28.240 -11.769 1.00 0.00 WT1 O
+ATOM 11092 H1 TIP3W6957 3.851 27.964 -11.276 1.00 0.00 WT1 H
+ATOM 11093 H2 TIP3W6957 5.378 27.690 -11.501 1.00 0.00 WT1 H
+ATOM 11094 OH2 TIP3W6960 20.120 21.931 7.670 1.00 0.00 WT1 O
+ATOM 11095 H1 TIP3W6960 19.639 21.116 7.726 1.00 0.00 WT1 H
+ATOM 11096 H2 TIP3W6960 20.843 21.647 7.064 1.00 0.00 WT1 H
+ATOM 11097 OH2 TIP3W6961 9.374 17.777 9.723 1.00 0.00 WT1 O
+ATOM 11098 H1 TIP3W6961 8.963 16.894 9.810 1.00 0.00 WT1 H
+ATOM 11099 H2 TIP3W6961 9.353 17.800 8.787 1.00 0.00 WT1 H
+ATOM 11100 OH2 TIP3W6962 13.343 10.604 15.523 1.00 0.00 WT1 O
+ATOM 11101 H1 TIP3W6962 13.559 11.233 16.289 1.00 0.00 WT1 H
+ATOM 11102 H2 TIP3W6962 13.591 9.745 15.862 1.00 0.00 WT1 H
+ATOM 11103 OH2 TIP3W6968 21.129 3.106 21.492 1.00 0.00 WT1 O
+ATOM 11104 H1 TIP3W6968 20.878 3.512 22.380 1.00 0.00 WT1 H
+ATOM 11105 H2 TIP3W6968 21.553 2.261 21.681 1.00 0.00 WT1 H
+ATOM 11106 OH2 TIP3W6975 14.102 -28.136 -5.936 1.00 0.00 WT1 O
+ATOM 11107 H1 TIP3W6975 14.307 -28.277 -6.848 1.00 0.00 WT1 H
+ATOM 11108 H2 TIP3W6975 13.338 -28.674 -5.750 1.00 0.00 WT1 H
+ATOM 11109 OH2 TIP3W6979 15.944 -4.181 12.051 1.00 0.00 WT1 O
+ATOM 11110 H1 TIP3W6979 16.632 -3.988 12.695 1.00 0.00 WT1 H
+ATOM 11111 H2 TIP3W6979 15.593 -5.050 12.281 1.00 0.00 WT1 H
+ATOM 11112 OH2 TIP3W6980 -20.701 23.689 -3.804 1.00 0.00 WT1 O
+ATOM 11113 H1 TIP3W6980 -21.083 22.831 -4.069 1.00 0.00 WT1 H
+ATOM 11114 H2 TIP3W6980 -20.820 23.661 -2.846 1.00 0.00 WT1 H
+ATOM 11115 OH2 TIP3W6984 12.458 28.056 11.246 1.00 0.00 WT1 O
+ATOM 11116 H1 TIP3W6984 12.596 29.017 11.228 1.00 0.00 WT1 H
+ATOM 11117 H2 TIP3W6984 11.786 27.919 11.896 1.00 0.00 WT1 H
+ATOM 11118 OH2 TIP3W6986 17.516 13.531 11.438 1.00 0.00 WT1 O
+ATOM 11119 H1 TIP3W6986 17.021 13.185 10.672 1.00 0.00 WT1 H
+ATOM 11120 H2 TIP3W6986 17.331 14.449 11.402 1.00 0.00 WT1 H
+ATOM 11121 OH2 TIP3W6991 18.265 22.579 21.580 1.00 0.00 WT1 O
+ATOM 11122 H1 TIP3W6991 18.192 22.443 20.603 1.00 0.00 WT1 H
+ATOM 11123 H2 TIP3W6991 18.154 23.543 21.771 1.00 0.00 WT1 H
+ATOM 11124 OH2 TIP3W6995 15.100 28.991 -12.835 1.00 0.00 WT1 O
+ATOM 11125 H1 TIP3W6995 14.507 28.486 -12.389 1.00 0.00 WT1 H
+ATOM 11126 H2 TIP3W6995 14.771 29.884 -12.742 1.00 0.00 WT1 H
+ATOM 11127 OH2 TIP3W7000 15.664 23.036 -2.164 1.00 0.00 WT1 O
+ATOM 11128 H1 TIP3W7000 16.324 23.495 -1.656 1.00 0.00 WT1 H
+ATOM 11129 H2 TIP3W7000 16.078 22.853 -3.007 1.00 0.00 WT1 H
+ATOM 11130 OH2 TIP3W7014 12.867 24.479 -21.594 1.00 0.00 WT1 O
+ATOM 11131 H1 TIP3W7014 12.162 23.807 -21.728 1.00 0.00 WT1 H
+ATOM 11132 H2 TIP3W7014 13.648 23.893 -21.618 1.00 0.00 WT1 H
+ATOM 11133 OH2 TIP3W7015 18.270 22.106 -11.598 1.00 0.00 WT1 O
+ATOM 11134 H1 TIP3W7015 19.108 22.384 -11.935 1.00 0.00 WT1 H
+ATOM 11135 H2 TIP3W7015 18.469 21.786 -10.719 1.00 0.00 WT1 H
+ATOM 11136 OH2 TIP3W7017 13.481 -31.206 -20.847 1.00 0.00 WT1 O
+ATOM 11137 H1 TIP3W7017 12.933 -31.047 -21.668 1.00 0.00 WT1 H
+ATOM 11138 H2 TIP3W7017 14.330 -30.908 -21.131 1.00 0.00 WT1 H
+ATOM 11139 OH2 TIP3W7018 14.612 26.417 -14.665 1.00 0.00 WT1 O
+ATOM 11140 H1 TIP3W7018 14.879 27.343 -14.699 1.00 0.00 WT1 H
+ATOM 11141 H2 TIP3W7018 14.809 26.096 -13.768 1.00 0.00 WT1 H
+ATOM 11142 OH2 TIP3W7019 19.528 -21.723 -14.062 1.00 0.00 WT1 O
+ATOM 11143 H1 TIP3W7019 19.761 -20.823 -14.376 1.00 0.00 WT1 H
+ATOM 11144 H2 TIP3W7019 18.612 -21.715 -13.705 1.00 0.00 WT1 H
+ATOM 11145 OH2 TIP3W7021 16.943 -21.848 -1.524 1.00 0.00 WT1 O
+ATOM 11146 H1 TIP3W7021 16.825 -21.034 -1.073 1.00 0.00 WT1 H
+ATOM 11147 H2 TIP3W7021 17.230 -21.503 -2.471 1.00 0.00 WT1 H
+ATOM 11148 OH2 TIP3W7022 12.716 21.763 3.982 1.00 0.00 WT1 O
+ATOM 11149 H1 TIP3W7022 12.153 22.438 4.430 1.00 0.00 WT1 H
+ATOM 11150 H2 TIP3W7022 12.131 20.979 3.872 1.00 0.00 WT1 H
+ATOM 11151 OH2 TIP3W7024 20.763 22.404 -6.746 1.00 0.00 WT1 O
+ATOM 11152 H1 TIP3W7024 20.549 22.590 -5.862 1.00 0.00 WT1 H
+ATOM 11153 H2 TIP3W7024 21.250 21.554 -6.685 1.00 0.00 WT1 H
+ATOM 11154 OH2 TIP3W7027 -21.869 -31.025 12.404 1.00 0.00 WT1 O
+ATOM 11155 H1 TIP3W7027 -21.039 -31.545 12.496 1.00 0.00 WT1 H
+ATOM 11156 H2 TIP3W7027 -22.039 -30.783 13.290 1.00 0.00 WT1 H
+ATOM 11157 OH2 TIP3W7041 15.247 -21.025 -9.276 1.00 0.00 WT1 O
+ATOM 11158 H1 TIP3W7041 14.886 -21.742 -9.842 1.00 0.00 WT1 H
+ATOM 11159 H2 TIP3W7041 15.704 -21.519 -8.609 1.00 0.00 WT1 H
+ATOM 11160 OH2 TIP3W7044 19.858 26.371 -5.291 1.00 0.00 WT1 O
+ATOM 11161 H1 TIP3W7044 20.811 26.350 -5.525 1.00 0.00 WT1 H
+ATOM 11162 H2 TIP3W7044 19.876 25.821 -4.511 1.00 0.00 WT1 H
+ATOM 11163 OH2 TIP3W7045 19.982 17.428 0.789 1.00 0.00 WT1 O
+ATOM 11164 H1 TIP3W7045 19.021 17.174 1.003 1.00 0.00 WT1 H
+ATOM 11165 H2 TIP3W7045 20.526 17.224 1.587 1.00 0.00 WT1 H
+ATOM 11166 OH2 TIP3W7046 17.724 -30.938 22.255 1.00 0.00 WT1 O
+ATOM 11167 H1 TIP3W7046 18.446 -31.027 21.621 1.00 0.00 WT1 H
+ATOM 11168 H2 TIP3W7046 17.786 -31.719 22.729 1.00 0.00 WT1 H
+ATOM 11169 OH2 TIP3W7052 12.193 -17.235 -15.139 1.00 0.00 WT1 O
+ATOM 11170 H1 TIP3W7052 12.612 -17.614 -14.406 1.00 0.00 WT1 H
+ATOM 11171 H2 TIP3W7052 11.871 -18.024 -15.620 1.00 0.00 WT1 H
+ATOM 11172 OH2 TIP3W7058 5.110 -13.773 -8.851 1.00 0.00 WT1 O
+ATOM 11173 H1 TIP3W7058 4.355 -13.391 -8.403 1.00 0.00 WT1 H
+ATOM 11174 H2 TIP3W7058 5.838 -13.393 -8.269 1.00 0.00 WT1 H
+ATOM 11175 OH2 TIP3W7061 17.924 28.603 -10.746 1.00 0.00 WT1 O
+ATOM 11176 H1 TIP3W7061 18.760 28.860 -11.206 1.00 0.00 WT1 H
+ATOM 11177 H2 TIP3W7061 17.335 28.224 -11.445 1.00 0.00 WT1 H
+ATOM 11178 OH2 TIP3W7062 15.476 -16.997 -2.862 1.00 0.00 WT1 O
+ATOM 11179 H1 TIP3W7062 14.753 -17.267 -2.311 1.00 0.00 WT1 H
+ATOM 11180 H2 TIP3W7062 15.070 -16.404 -3.563 1.00 0.00 WT1 H
+ATOM 11181 OH2 TIP3W7067 16.623 -27.703 14.130 1.00 0.00 WT1 O
+ATOM 11182 H1 TIP3W7067 17.534 -28.066 14.235 1.00 0.00 WT1 H
+ATOM 11183 H2 TIP3W7067 16.347 -27.776 15.055 1.00 0.00 WT1 H
+ATOM 11184 OH2 TIP3W7068 10.894 -24.199 8.920 1.00 0.00 WT1 O
+ATOM 11185 H1 TIP3W7068 10.987 -23.356 8.399 1.00 0.00 WT1 H
+ATOM 11186 H2 TIP3W7068 11.821 -24.531 8.963 1.00 0.00 WT1 H
+ATOM 11187 OH2 TIP3W7078 11.067 -11.033 -18.705 1.00 0.00 WT1 O
+ATOM 11188 H1 TIP3W7078 11.116 -11.569 -19.492 1.00 0.00 WT1 H
+ATOM 11189 H2 TIP3W7078 10.302 -11.373 -18.238 1.00 0.00 WT1 H
+ATOM 11190 OH2 TIP3W7088 18.266 -24.325 22.809 1.00 0.00 WT1 O
+ATOM 11191 H1 TIP3W7088 19.155 -24.710 22.778 1.00 0.00 WT1 H
+ATOM 11192 H2 TIP3W7088 18.152 -23.982 21.914 1.00 0.00 WT1 H
+ATOM 11193 OH2 TIP3W7099 19.780 -6.519 18.143 1.00 0.00 WT1 O
+ATOM 11194 H1 TIP3W7099 20.510 -6.163 18.668 1.00 0.00 WT1 H
+ATOM 11195 H2 TIP3W7099 20.150 -7.249 17.591 1.00 0.00 WT1 H
+ATOM 11196 OH2 TIP3W7105 19.409 -28.816 2.093 1.00 0.00 WT1 O
+ATOM 11197 H1 TIP3W7105 19.001 -28.209 2.725 1.00 0.00 WT1 H
+ATOM 11198 H2 TIP3W7105 20.310 -28.504 1.888 1.00 0.00 WT1 H
+ATOM 11199 OH2 TIP3W7109 9.157 -17.660 20.352 1.00 0.00 WT1 O
+ATOM 11200 H1 TIP3W7109 8.729 -18.298 20.962 1.00 0.00 WT1 H
+ATOM 11201 H2 TIP3W7109 9.926 -18.160 20.099 1.00 0.00 WT1 H
+ATOM 11202 OH2 TIP3W7121 15.229 -25.833 -9.239 1.00 0.00 WT1 O
+ATOM 11203 H1 TIP3W7121 14.389 -25.305 -9.295 1.00 0.00 WT1 H
+ATOM 11204 H2 TIP3W7121 15.937 -25.270 -9.121 1.00 0.00 WT1 H
+ATOM 11205 OH2 TIP3W7122 20.711 -30.407 -12.369 1.00 0.00 WT1 O
+ATOM 11206 H1 TIP3W7122 20.276 -29.633 -11.867 1.00 0.00 WT1 H
+ATOM 11207 H2 TIP3W7122 21.688 -30.214 -12.117 1.00 0.00 WT1 H
+ATOM 11208 OH2 TIP3W7123 17.009 -16.015 -7.490 1.00 0.00 WT1 O
+ATOM 11209 H1 TIP3W7123 17.942 -16.127 -7.507 1.00 0.00 WT1 H
+ATOM 11210 H2 TIP3W7123 16.876 -15.535 -6.652 1.00 0.00 WT1 H
+ATOM 11211 OH2 TIP3W7125 18.741 -1.188 -1.125 1.00 0.00 WT1 O
+ATOM 11212 H1 TIP3W7125 18.668 -0.236 -0.879 1.00 0.00 WT1 H
+ATOM 11213 H2 TIP3W7125 18.953 -1.122 -2.080 1.00 0.00 WT1 H
+ATOM 11214 OH2 TIP3W7126 21.725 -19.557 1.045 1.00 0.00 WT1 O
+ATOM 11215 H1 TIP3W7126 22.046 -19.598 0.162 1.00 0.00 WT1 H
+ATOM 11216 H2 TIP3W7126 22.502 -19.299 1.590 1.00 0.00 WT1 H
+ATOM 11217 OH2 TIP3W7130 15.379 -23.495 14.832 1.00 0.00 WT1 O
+ATOM 11218 H1 TIP3W7130 15.141 -22.886 14.099 1.00 0.00 WT1 H
+ATOM 11219 H2 TIP3W7130 15.444 -22.974 15.574 1.00 0.00 WT1 H
+ATOM 11220 OH2 TIP3W7132 19.363 -30.220 -0.407 1.00 0.00 WT1 O
+ATOM 11221 H1 TIP3W7132 20.021 -29.626 -0.759 1.00 0.00 WT1 H
+ATOM 11222 H2 TIP3W7132 19.314 -29.968 0.512 1.00 0.00 WT1 H
+ATOM 11223 OH2 TIP3W7133 -19.011 -14.830 12.226 1.00 0.00 WT1 O
+ATOM 11224 H1 TIP3W7133 -18.058 -14.808 12.038 1.00 0.00 WT1 H
+ATOM 11225 H2 TIP3W7133 -19.291 -15.664 11.831 1.00 0.00 WT1 H
+ATOM 11226 OH2 TIP3W7145 21.722 -10.723 -20.167 1.00 0.00 WT1 O
+ATOM 11227 H1 TIP3W7145 21.187 -10.564 -20.912 1.00 0.00 WT1 H
+ATOM 11228 H2 TIP3W7145 21.900 -9.827 -19.884 1.00 0.00 WT1 H
+ATOM 11229 OH2 TIP3W7147 13.580 -6.051 -16.517 1.00 0.00 WT1 O
+ATOM 11230 H1 TIP3W7147 12.742 -5.877 -16.088 1.00 0.00 WT1 H
+ATOM 11231 H2 TIP3W7147 14.163 -5.289 -16.192 1.00 0.00 WT1 H
+ATOM 11232 OH2 TIP3W7166 21.952 -18.918 -10.104 1.00 0.00 WT1 O
+ATOM 11233 H1 TIP3W7166 21.148 -18.728 -10.607 1.00 0.00 WT1 H
+ATOM 11234 H2 TIP3W7166 21.545 -18.819 -9.204 1.00 0.00 WT1 H
+ATOM 11235 OH2 TIP3W7168 20.681 -16.791 7.175 1.00 0.00 WT1 O
+ATOM 11236 H1 TIP3W7168 20.798 -16.838 6.176 1.00 0.00 WT1 H
+ATOM 11237 H2 TIP3W7168 20.136 -17.560 7.436 1.00 0.00 WT1 H
+ATOM 11238 OH2 TIP3W7170 14.842 -9.610 11.179 1.00 0.00 WT1 O
+ATOM 11239 H1 TIP3W7170 15.047 -9.037 11.918 1.00 0.00 WT1 H
+ATOM 11240 H2 TIP3W7170 13.934 -9.489 11.021 1.00 0.00 WT1 H
+ATOM 11241 OH2 TIP3W7171 20.323 -19.989 10.803 1.00 0.00 WT1 O
+ATOM 11242 H1 TIP3W7171 20.463 -20.472 9.936 1.00 0.00 WT1 H
+ATOM 11243 H2 TIP3W7171 21.211 -19.860 11.020 1.00 0.00 WT1 H
+ATOM 11244 OH2 TIP3W7174 16.634 -25.394 12.610 1.00 0.00 WT1 O
+ATOM 11245 H1 TIP3W7174 16.091 -24.824 13.194 1.00 0.00 WT1 H
+ATOM 11246 H2 TIP3W7174 16.736 -26.164 13.150 1.00 0.00 WT1 H
+ATOM 11247 OH2 TIP3W7176 20.089 -28.822 8.875 1.00 0.00 WT1 O
+ATOM 11248 H1 TIP3W7176 20.731 -29.238 9.427 1.00 0.00 WT1 H
+ATOM 11249 H2 TIP3W7176 20.205 -29.345 8.082 1.00 0.00 WT1 H
+ATOM 11250 OH2 TIP3W7182 17.589 -17.351 -22.779 1.00 0.00 WT1 O
+ATOM 11251 H1 TIP3W7182 16.664 -17.183 -22.572 1.00 0.00 WT1 H
+ATOM 11252 H2 TIP3W7182 18.018 -16.944 -22.046 1.00 0.00 WT1 H
+ATOM 11253 OH2 TIP3W7185 17.046 -14.763 -18.224 1.00 0.00 WT1 O
+ATOM 11254 H1 TIP3W7185 17.429 -15.035 -17.406 1.00 0.00 WT1 H
+ATOM 11255 H2 TIP3W7185 16.085 -14.538 -17.996 1.00 0.00 WT1 H
+ATOM 11256 OH2 TIP3W7192 13.087 -2.650 2.100 1.00 0.00 WT1 O
+ATOM 11257 H1 TIP3W7192 13.458 -2.156 1.344 1.00 0.00 WT1 H
+ATOM 11258 H2 TIP3W7192 13.336 -2.054 2.848 1.00 0.00 WT1 H
+ATOM 11259 OH2 TIP3W7193 21.597 -15.257 18.069 1.00 0.00 WT1 O
+ATOM 11260 H1 TIP3W7193 21.378 -14.572 17.405 1.00 0.00 WT1 H
+ATOM 11261 H2 TIP3W7193 21.352 -14.773 18.863 1.00 0.00 WT1 H
+ATOM 11262 OH2 TIP3W7196 -14.760 -11.588 16.679 1.00 0.00 WT1 O
+ATOM 11263 H1 TIP3W7196 -15.365 -11.342 17.345 1.00 0.00 WT1 H
+ATOM 11264 H2 TIP3W7196 -14.929 -12.495 16.533 1.00 0.00 WT1 H
+ATOM 11265 OH2 TIP3W7198 18.372 -6.404 15.888 1.00 0.00 WT1 O
+ATOM 11266 H1 TIP3W7198 18.986 -6.700 15.089 1.00 0.00 WT1 H
+ATOM 11267 H2 TIP3W7198 18.980 -6.319 16.672 1.00 0.00 WT1 H
+ATOM 11268 OH2 TIP3W7203 17.910 -4.289 -17.591 1.00 0.00 WT1 O
+ATOM 11269 H1 TIP3W7203 18.270 -4.881 -18.312 1.00 0.00 WT1 H
+ATOM 11270 H2 TIP3W7203 18.718 -4.093 -17.046 1.00 0.00 WT1 H
+ATOM 11271 OH2 TIP3W7210 18.429 -12.416 -12.907 1.00 0.00 WT1 O
+ATOM 11272 H1 TIP3W7210 17.880 -12.740 -12.190 1.00 0.00 WT1 H
+ATOM 11273 H2 TIP3W7210 17.885 -12.730 -13.695 1.00 0.00 WT1 H
+ATOM 11274 OH2 TIP3W7215 8.659 -8.686 18.368 1.00 0.00 WT1 O
+ATOM 11275 H1 TIP3W7215 9.310 -8.855 17.652 1.00 0.00 WT1 H
+ATOM 11276 H2 TIP3W7215 8.092 -9.487 18.359 1.00 0.00 WT1 H
+ATOM 11277 OH2 TIP3W7216 20.788 -9.530 8.160 1.00 0.00 WT1 O
+ATOM 11278 H1 TIP3W7216 20.568 -10.497 8.154 1.00 0.00 WT1 H
+ATOM 11279 H2 TIP3W7216 21.612 -9.568 7.669 1.00 0.00 WT1 H
+ATOM 11280 OH2 TIP3W7218 18.188 31.683 18.608 1.00 0.00 WT1 O
+ATOM 11281 H1 TIP3W7218 18.814 31.790 17.874 1.00 0.00 WT1 H
+ATOM 11282 H2 TIP3W7218 18.588 30.971 19.139 1.00 0.00 WT1 H
+ATOM 11283 OH2 TIP3W7222 -16.331 -22.605 -22.830 1.00 0.00 WT1 O
+ATOM 11284 H1 TIP3W7222 -15.632 -23.286 -22.523 1.00 0.00 WT1 H
+ATOM 11285 H2 TIP3W7222 -17.127 -23.143 -22.998 1.00 0.00 WT1 H
+ATOM 11286 OH2 TIP3W7231 16.026 -7.620 16.011 1.00 0.00 WT1 O
+ATOM 11287 H1 TIP3W7231 16.968 -7.399 15.920 1.00 0.00 WT1 H
+ATOM 11288 H2 TIP3W7231 15.949 -7.740 16.985 1.00 0.00 WT1 H
+ATOM 11289 OH2 TIP3W7253 22.180 -7.201 -13.706 1.00 0.00 WT1 O
+ATOM 11290 H1 TIP3W7253 22.431 -7.346 -14.679 1.00 0.00 WT1 H
+ATOM 11291 H2 TIP3W7253 21.365 -6.680 -13.790 1.00 0.00 WT1 H
+ATOM 11292 OH2 TIP3W7257 10.171 -6.560 16.581 1.00 0.00 WT1 O
+ATOM 11293 H1 TIP3W7257 10.380 -5.824 17.083 1.00 0.00 WT1 H
+ATOM 11294 H2 TIP3W7257 10.466 -7.325 17.065 1.00 0.00 WT1 H
+ATOM 11295 OH2 TIP3W7262 17.809 -7.279 20.565 1.00 0.00 WT1 O
+ATOM 11296 H1 TIP3W7262 17.449 -8.168 20.667 1.00 0.00 WT1 H
+ATOM 11297 H2 TIP3W7262 18.482 -7.423 19.944 1.00 0.00 WT1 H
+ATOM 11298 OH2 TIP3W7271 15.954 18.508 -10.217 1.00 0.00 WT1 O
+ATOM 11299 H1 TIP3W7271 16.416 19.144 -10.757 1.00 0.00 WT1 H
+ATOM 11300 H2 TIP3W7271 15.719 17.811 -10.855 1.00 0.00 WT1 H
+ATOM 11301 OH2 TIP3W7274 16.877 15.939 6.569 1.00 0.00 WT1 O
+ATOM 11302 H1 TIP3W7274 16.295 16.689 6.782 1.00 0.00 WT1 H
+ATOM 11303 H2 TIP3W7274 17.433 15.744 7.354 1.00 0.00 WT1 H
+ATOM 11304 OH2 TIP3W7295 -21.735 -9.761 3.085 1.00 0.00 WT1 O
+ATOM 11305 H1 TIP3W7295 -21.499 -10.571 2.641 1.00 0.00 WT1 H
+ATOM 11306 H2 TIP3W7295 -22.345 -10.039 3.792 1.00 0.00 WT1 H
+ATOM 11307 OH2 TIP3W7296 8.120 10.909 3.410 1.00 0.00 WT1 O
+ATOM 11308 H1 TIP3W7296 7.181 11.260 3.282 1.00 0.00 WT1 H
+ATOM 11309 H2 TIP3W7296 8.155 10.517 4.283 1.00 0.00 WT1 H
+ATOM 11310 OH2 TIP3W7305 21.177 -8.332 16.663 1.00 0.00 WT1 O
+ATOM 11311 H1 TIP3W7305 21.724 -9.106 16.989 1.00 0.00 WT1 H
+ATOM 11312 H2 TIP3W7305 21.514 -8.193 15.756 1.00 0.00 WT1 H
+ATOM 11313 OH2 TIP3W7312 20.189 -5.616 -4.347 1.00 0.00 WT1 O
+ATOM 11314 H1 TIP3W7312 19.305 -5.304 -4.242 1.00 0.00 WT1 H
+ATOM 11315 H2 TIP3W7312 20.595 -5.364 -3.477 1.00 0.00 WT1 H
+ATOM 11316 OH2 TIP3W7314 19.172 0.525 -10.533 1.00 0.00 WT1 O
+ATOM 11317 H1 TIP3W7314 19.368 0.127 -9.708 1.00 0.00 WT1 H
+ATOM 11318 H2 TIP3W7314 18.689 1.305 -10.303 1.00 0.00 WT1 H
+ATOM 11319 OH2 TIP3W7316 19.097 7.954 6.008 1.00 0.00 WT1 O
+ATOM 11320 H1 TIP3W7316 18.818 7.247 6.651 1.00 0.00 WT1 H
+ATOM 11321 H2 TIP3W7316 19.652 7.448 5.413 1.00 0.00 WT1 H
+ATOM 11322 OH2 TIP3W7321 19.498 17.265 18.552 1.00 0.00 WT1 O
+ATOM 11323 H1 TIP3W7321 18.981 17.660 17.857 1.00 0.00 WT1 H
+ATOM 11324 H2 TIP3W7321 19.657 17.944 19.275 1.00 0.00 WT1 H
+ATOM 11325 OH2 TIP3W7331 20.635 4.539 -3.681 1.00 0.00 WT1 O
+ATOM 11326 H1 TIP3W7331 20.243 5.176 -3.122 1.00 0.00 WT1 H
+ATOM 11327 H2 TIP3W7331 19.862 4.109 -4.120 1.00 0.00 WT1 H
+ATOM 11328 OH2 TIP3W7335 16.209 6.808 -12.339 1.00 0.00 WT1 O
+ATOM 11329 H1 TIP3W7335 16.615 7.433 -12.931 1.00 0.00 WT1 H
+ATOM 11330 H2 TIP3W7335 16.007 6.062 -12.930 1.00 0.00 WT1 H
+ATOM 11331 OH2 TIP3W7351 14.862 16.767 -17.530 1.00 0.00 WT1 O
+ATOM 11332 H1 TIP3W7351 15.306 17.270 -18.265 1.00 0.00 WT1 H
+ATOM 11333 H2 TIP3W7351 13.992 16.995 -17.673 1.00 0.00 WT1 H
+ATOM 11334 OH2 TIP3W7352 15.107 1.535 -10.444 1.00 0.00 WT1 O
+ATOM 11335 H1 TIP3W7352 15.750 1.764 -9.699 1.00 0.00 WT1 H
+ATOM 11336 H2 TIP3W7352 14.375 2.111 -10.249 1.00 0.00 WT1 H
+ATOM 11337 OH2 TIP3W7355 21.233 12.786 -4.816 1.00 0.00 WT1 O
+ATOM 11338 H1 TIP3W7355 21.131 13.628 -4.420 1.00 0.00 WT1 H
+ATOM 11339 H2 TIP3W7355 22.205 12.702 -4.794 1.00 0.00 WT1 H
+ATOM 11340 OH2 TIP3W7374 12.199 2.199 -14.501 1.00 0.00 WT1 O
+ATOM 11341 H1 TIP3W7374 12.239 1.824 -15.393 1.00 0.00 WT1 H
+ATOM 11342 H2 TIP3W7374 11.404 1.810 -14.104 1.00 0.00 WT1 H
+ATOM 11343 OH2 TIP3W7384 14.555 23.254 19.096 1.00 0.00 WT1 O
+ATOM 11344 H1 TIP3W7384 13.722 23.074 18.500 1.00 0.00 WT1 H
+ATOM 11345 H2 TIP3W7384 14.979 24.036 18.691 1.00 0.00 WT1 H
+ATOM 11346 OH2 TIP3W7386 10.210 18.833 22.358 1.00 0.00 WT1 O
+ATOM 11347 H1 TIP3W7386 10.806 19.551 22.559 1.00 0.00 WT1 H
+ATOM 11348 H2 TIP3W7386 10.227 18.874 21.421 1.00 0.00 WT1 H
+ATOM 11349 OH2 TIP3W7395 16.061 4.409 -13.908 1.00 0.00 WT1 O
+ATOM 11350 H1 TIP3W7395 16.613 3.686 -14.202 1.00 0.00 WT1 H
+ATOM 11351 H2 TIP3W7395 15.369 4.055 -13.388 1.00 0.00 WT1 H
+ATOM 11352 OH2 TIP3W7396 20.230 16.035 -7.069 1.00 0.00 WT1 O
+ATOM 11353 H1 TIP3W7396 19.477 16.597 -6.829 1.00 0.00 WT1 H
+ATOM 11354 H2 TIP3W7396 19.748 15.238 -7.254 1.00 0.00 WT1 H
+ATOM 11355 OH2 TIP3W7397 20.485 27.705 -17.776 1.00 0.00 WT1 O
+ATOM 11356 H1 TIP3W7397 20.531 27.642 -16.796 1.00 0.00 WT1 H
+ATOM 11357 H2 TIP3W7397 20.774 26.858 -18.108 1.00 0.00 WT1 H
+ATOM 11358 OH2 TIP3W7398 16.809 -31.872 -1.295 1.00 0.00 WT1 O
+ATOM 11359 H1 TIP3W7398 17.750 -31.522 -1.382 1.00 0.00 WT1 H
+ATOM 11360 H2 TIP3W7398 16.564 -32.059 -2.218 1.00 0.00 WT1 H
+ATOM 11361 OH2 TIP3W7400 21.904 17.908 -7.762 1.00 0.00 WT1 O
+ATOM 11362 H1 TIP3W7400 21.339 17.121 -7.630 1.00 0.00 WT1 H
+ATOM 11363 H2 TIP3W7400 21.798 18.181 -8.711 1.00 0.00 WT1 H
+ATOM 11364 OH2 TIP3W7402 21.835 31.352 15.241 1.00 0.00 WT1 O
+ATOM 11365 H1 TIP3W7402 21.825 30.664 14.502 1.00 0.00 WT1 H
+ATOM 11366 H2 TIP3W7402 22.197 30.841 15.964 1.00 0.00 WT1 H
+ATOM 11367 OH2 TIP3W7405 14.365 17.580 6.870 1.00 0.00 WT1 O
+ATOM 11368 H1 TIP3W7405 13.444 17.206 6.723 1.00 0.00 WT1 H
+ATOM 11369 H2 TIP3W7405 14.191 18.488 6.765 1.00 0.00 WT1 H
+ATOM 11370 OH2 TIP3W7420 9.450 24.885 -3.208 1.00 0.00 WT1 O
+ATOM 11371 H1 TIP3W7420 9.110 25.646 -3.678 1.00 0.00 WT1 H
+ATOM 11372 H2 TIP3W7420 10.407 25.206 -3.248 1.00 0.00 WT1 H
+ATOM 11373 OH2 TIP3W7425 17.228 29.751 -0.571 1.00 0.00 WT1 O
+ATOM 11374 H1 TIP3W7425 16.492 30.336 -0.875 1.00 0.00 WT1 H
+ATOM 11375 H2 TIP3W7425 17.860 30.364 -0.194 1.00 0.00 WT1 H
+ATOM 11376 OH2 TIP3W7437 14.051 -28.445 -10.021 1.00 0.00 WT1 O
+ATOM 11377 H1 TIP3W7437 14.496 -27.657 -9.648 1.00 0.00 WT1 H
+ATOM 11378 H2 TIP3W7437 14.537 -28.495 -10.911 1.00 0.00 WT1 H
+ATOM 11379 OH2 TIP3W7438 13.873 29.577 -5.379 1.00 0.00 WT1 O
+ATOM 11380 H1 TIP3W7438 14.057 29.918 -4.508 1.00 0.00 WT1 H
+ATOM 11381 H2 TIP3W7438 14.737 29.793 -5.871 1.00 0.00 WT1 H
+ATOM 11382 OH2 TIP3W7444 20.776 8.978 9.223 1.00 0.00 WT1 O
+ATOM 11383 H1 TIP3W7444 21.304 9.430 9.871 1.00 0.00 WT1 H
+ATOM 11384 H2 TIP3W7444 20.466 8.239 9.727 1.00 0.00 WT1 H
+ATOM 11385 OH2 TIP3W7446 19.642 18.461 21.145 1.00 0.00 WT1 O
+ATOM 11386 H1 TIP3W7446 20.019 19.374 21.321 1.00 0.00 WT1 H
+ATOM 11387 H2 TIP3W7446 19.084 18.331 21.932 1.00 0.00 WT1 H
+ATOM 11388 OH2 TIP3W7449 18.515 26.802 14.160 1.00 0.00 WT1 O
+ATOM 11389 H1 TIP3W7449 18.914 27.351 13.415 1.00 0.00 WT1 H
+ATOM 11390 H2 TIP3W7449 19.250 26.295 14.530 1.00 0.00 WT1 H
+ATOM 11391 OH2 TIP3W7479 -16.446 -28.738 -19.490 1.00 0.00 WT1 O
+ATOM 11392 H1 TIP3W7479 -15.854 -28.570 -20.245 1.00 0.00 WT1 H
+ATOM 11393 H2 TIP3W7479 -15.779 -28.999 -18.816 1.00 0.00 WT1 H
+ATOM 11394 OH2 TIP3W7481 19.609 -32.066 -4.146 1.00 0.00 WT1 O
+ATOM 11395 H1 TIP3W7481 19.245 -32.092 -5.059 1.00 0.00 WT1 H
+ATOM 11396 H2 TIP3W7481 20.403 -31.481 -4.241 1.00 0.00 WT1 H
+ATOM 11397 OH2 TIP3W7488 20.300 27.958 5.934 1.00 0.00 WT1 O
+ATOM 11398 H1 TIP3W7488 19.340 27.917 5.902 1.00 0.00 WT1 H
+ATOM 11399 H2 TIP3W7488 20.441 28.489 5.143 1.00 0.00 WT1 H
+ATOM 11400 OH2 TIP3W7501 10.890 -27.567 -14.333 1.00 0.00 WT1 O
+ATOM 11401 H1 TIP3W7501 11.310 -27.747 -13.519 1.00 0.00 WT1 H
+ATOM 11402 H2 TIP3W7501 10.643 -28.481 -14.523 1.00 0.00 WT1 H
+ATOM 11403 OH2 TIP3W7510 -17.436 -20.722 -11.200 1.00 0.00 WT1 O
+ATOM 11404 H1 TIP3W7510 -17.274 -19.766 -11.174 1.00 0.00 WT1 H
+ATOM 11405 H2 TIP3W7510 -16.972 -21.002 -10.416 1.00 0.00 WT1 H
+ATOM 11406 OH2 TIP3W7525 10.413 -23.400 -1.954 1.00 0.00 WT1 O
+ATOM 11407 H1 TIP3W7525 9.904 -23.462 -2.810 1.00 0.00 WT1 H
+ATOM 11408 H2 TIP3W7525 10.237 -24.307 -1.578 1.00 0.00 WT1 H
+ATOM 11409 OH2 TIP3W7532 -21.579 -24.000 14.643 1.00 0.00 WT1 O
+ATOM 11410 H1 TIP3W7532 -20.988 -24.613 14.175 1.00 0.00 WT1 H
+ATOM 11411 H2 TIP3W7532 -21.433 -24.262 15.571 1.00 0.00 WT1 H
+ATOM 11412 OH2 TIP3W7543 16.285 24.293 -9.818 1.00 0.00 WT1 O
+ATOM 11413 H1 TIP3W7543 17.140 23.756 -9.574 1.00 0.00 WT1 H
+ATOM 11414 H2 TIP3W7543 15.656 23.888 -9.317 1.00 0.00 WT1 H
+ATOM 11415 OH2 TIP3W7546 22.532 -24.225 4.182 1.00 0.00 WT1 O
+ATOM 11416 H1 TIP3W7546 22.155 -25.130 4.232 1.00 0.00 WT1 H
+ATOM 11417 H2 TIP3W7546 22.351 -23.990 3.216 1.00 0.00 WT1 H
+ATOM 11418 OH2 TIP3W7557 -17.568 -24.408 20.414 1.00 0.00 WT1 O
+ATOM 11419 H1 TIP3W7557 -16.998 -25.163 20.347 1.00 0.00 WT1 H
+ATOM 11420 H2 TIP3W7557 -18.345 -24.759 20.754 1.00 0.00 WT1 H
+ATOM 11421 OH2 TIP3W7563 -17.390 -13.103 -7.879 1.00 0.00 WT1 O
+ATOM 11422 H1 TIP3W7563 -17.359 -12.194 -8.252 1.00 0.00 WT1 H
+ATOM 11423 H2 TIP3W7563 -17.334 -13.687 -8.625 1.00 0.00 WT1 H
+ATOM 11424 OH2 TIP3W7567 13.600 -16.797 -5.235 1.00 0.00 WT1 O
+ATOM 11425 H1 TIP3W7567 12.950 -16.219 -5.719 1.00 0.00 WT1 H
+ATOM 11426 H2 TIP3W7567 13.044 -17.028 -4.449 1.00 0.00 WT1 H
+ATOM 11427 OH2 TIP3W7568 -18.905 -25.063 0.632 1.00 0.00 WT1 O
+ATOM 11428 H1 TIP3W7568 -19.006 -24.940 1.570 1.00 0.00 WT1 H
+ATOM 11429 H2 TIP3W7568 -18.955 -24.146 0.306 1.00 0.00 WT1 H
+ATOM 11430 OH2 TIP3W7572 19.017 -20.930 13.787 1.00 0.00 WT1 O
+ATOM 11431 H1 TIP3W7572 19.951 -20.998 13.622 1.00 0.00 WT1 H
+ATOM 11432 H2 TIP3W7572 18.736 -21.818 14.095 1.00 0.00 WT1 H
+ATOM 11433 OH2 TIP3W7576 -20.981 -19.255 21.749 1.00 0.00 WT1 O
+ATOM 11434 H1 TIP3W7576 -20.661 -18.628 22.449 1.00 0.00 WT1 H
+ATOM 11435 H2 TIP3W7576 -21.664 -19.803 22.300 1.00 0.00 WT1 H
+ATOM 11436 OH2 TIP3W7592 -17.977 -7.751 10.732 1.00 0.00 WT1 O
+ATOM 11437 H1 TIP3W7592 -18.297 -7.218 11.516 1.00 0.00 WT1 H
+ATOM 11438 H2 TIP3W7592 -18.273 -8.644 11.004 1.00 0.00 WT1 H
+ATOM 11439 OH2 TIP3W7597 17.419 -16.150 19.314 1.00 0.00 WT1 O
+ATOM 11440 H1 TIP3W7597 18.303 -15.996 19.581 1.00 0.00 WT1 H
+ATOM 11441 H2 TIP3W7597 17.470 -15.657 18.479 1.00 0.00 WT1 H
+ATOM 11442 OH2 TIP3W7603 -17.940 4.298 -17.655 1.00 0.00 WT1 O
+ATOM 11443 H1 TIP3W7603 -18.780 4.851 -17.782 1.00 0.00 WT1 H
+ATOM 11444 H2 TIP3W7603 -17.490 4.484 -18.454 1.00 0.00 WT1 H
+ATOM 11445 OH2 TIP3W7605 -15.899 -7.554 -12.846 1.00 0.00 WT1 O
+ATOM 11446 H1 TIP3W7605 -14.998 -7.524 -12.465 1.00 0.00 WT1 H
+ATOM 11447 H2 TIP3W7605 -15.742 -7.775 -13.775 1.00 0.00 WT1 H
+ATOM 11448 OH2 TIP3W7612 17.388 -18.354 -4.171 1.00 0.00 WT1 O
+ATOM 11449 H1 TIP3W7612 16.730 -18.834 -4.722 1.00 0.00 WT1 H
+ATOM 11450 H2 TIP3W7612 16.816 -17.978 -3.580 1.00 0.00 WT1 H
+ATOM 11451 OH2 TIP3W7617 21.073 -15.065 13.986 1.00 0.00 WT1 O
+ATOM 11452 H1 TIP3W7617 20.723 -14.837 13.103 1.00 0.00 WT1 H
+ATOM 11453 H2 TIP3W7617 21.750 -15.667 13.817 1.00 0.00 WT1 H
+ATOM 11454 OH2 TIP3W7630 -20.407 -18.943 -16.017 1.00 0.00 WT1 O
+ATOM 11455 H1 TIP3W7630 -19.867 -18.346 -15.457 1.00 0.00 WT1 H
+ATOM 11456 H2 TIP3W7630 -20.946 -19.386 -15.351 1.00 0.00 WT1 H
+ATOM 11457 OH2 TIP3W7631 -20.660 -10.968 -6.167 1.00 0.00 WT1 O
+ATOM 11458 H1 TIP3W7631 -19.914 -10.590 -6.649 1.00 0.00 WT1 H
+ATOM 11459 H2 TIP3W7631 -20.188 -11.495 -5.532 1.00 0.00 WT1 H
+ATOM 11460 OH2 TIP3W7634 -19.272 -20.456 10.074 1.00 0.00 WT1 O
+ATOM 11461 H1 TIP3W7634 -19.405 -20.070 9.179 1.00 0.00 WT1 H
+ATOM 11462 H2 TIP3W7634 -18.520 -21.007 9.815 1.00 0.00 WT1 H
+ATOM 11463 OH2 TIP3W7638 -13.953 -2.718 21.168 1.00 0.00 WT1 O
+ATOM 11464 H1 TIP3W7638 -14.486 -3.463 21.043 1.00 0.00 WT1 H
+ATOM 11465 H2 TIP3W7638 -14.065 -2.203 20.360 1.00 0.00 WT1 H
+ATOM 11466 OH2 TIP3W7643 13.067 -6.550 -19.240 1.00 0.00 WT1 O
+ATOM 11467 H1 TIP3W7643 13.370 -6.224 -18.381 1.00 0.00 WT1 H
+ATOM 11468 H2 TIP3W7643 13.550 -5.946 -19.836 1.00 0.00 WT1 H
+ATOM 11469 OH2 TIP3W7647 -21.279 -7.080 -13.061 1.00 0.00 WT1 O
+ATOM 11470 H1 TIP3W7647 -20.334 -6.944 -13.117 1.00 0.00 WT1 H
+ATOM 11471 H2 TIP3W7647 -21.464 -7.852 -13.722 1.00 0.00 WT1 H
+ATOM 11472 OH2 TIP3W7650 -18.488 -4.891 -18.753 1.00 0.00 WT1 O
+ATOM 11473 H1 TIP3W7650 -18.717 -5.580 -18.129 1.00 0.00 WT1 H
+ATOM 11474 H2 TIP3W7650 -17.502 -4.833 -18.601 1.00 0.00 WT1 H
+ATOM 11475 OH2 TIP3W7661 -19.546 -16.581 14.583 1.00 0.00 WT1 O
+ATOM 11476 H1 TIP3W7661 -20.034 -15.770 14.282 1.00 0.00 WT1 H
+ATOM 11477 H2 TIP3W7661 -20.312 -17.195 14.966 1.00 0.00 WT1 H
+ATOM 11478 OH2 TIP3W7668 9.445 -6.159 -9.416 1.00 0.00 WT1 O
+ATOM 11479 H1 TIP3W7668 8.994 -5.273 -9.249 1.00 0.00 WT1 H
+ATOM 11480 H2 TIP3W7668 9.839 -6.371 -8.548 1.00 0.00 WT1 H
+ATOM 11481 OH2 TIP3W7675 20.216 -1.520 1.351 1.00 0.00 WT1 O
+ATOM 11482 H1 TIP3W7675 19.729 -1.294 0.516 1.00 0.00 WT1 H
+ATOM 11483 H2 TIP3W7675 21.179 -1.416 1.070 1.00 0.00 WT1 H
+ATOM 11484 OH2 TIP3W7676 -15.553 -20.922 8.773 1.00 0.00 WT1 O
+ATOM 11485 H1 TIP3W7676 -14.657 -21.076 9.098 1.00 0.00 WT1 H
+ATOM 11486 H2 TIP3W7676 -16.041 -21.647 9.132 1.00 0.00 WT1 H
+ATOM 11487 OH2 TIP3W7689 11.819 9.910 -16.223 1.00 0.00 WT1 O
+ATOM 11488 H1 TIP3W7689 11.769 9.405 -17.077 1.00 0.00 WT1 H
+ATOM 11489 H2 TIP3W7689 12.440 9.377 -15.660 1.00 0.00 WT1 H
+ATOM 11490 OH2 TIP3W7690 11.190 -7.955 -17.591 1.00 0.00 WT1 O
+ATOM 11491 H1 TIP3W7690 11.535 -7.750 -18.509 1.00 0.00 WT1 H
+ATOM 11492 H2 TIP3W7690 11.157 -7.100 -17.139 1.00 0.00 WT1 H
+ATOM 11493 OH2 TIP3W7692 19.283 13.533 -7.880 1.00 0.00 WT1 O
+ATOM 11494 H1 TIP3W7692 19.555 13.883 -8.740 1.00 0.00 WT1 H
+ATOM 11495 H2 TIP3W7692 18.276 13.521 -7.887 1.00 0.00 WT1 H
+ATOM 11496 OH2 TIP3W7698 19.707 -16.137 -7.749 1.00 0.00 WT1 O
+ATOM 11497 H1 TIP3W7698 20.446 -15.463 -7.864 1.00 0.00 WT1 H
+ATOM 11498 H2 TIP3W7698 20.134 -16.720 -7.118 1.00 0.00 WT1 H
+ATOM 11499 OH2 TIP3W7702 11.248 -9.135 19.948 1.00 0.00 WT1 O
+ATOM 11500 H1 TIP3W7702 11.253 -10.065 19.610 1.00 0.00 WT1 H
+ATOM 11501 H2 TIP3W7702 10.361 -8.772 19.891 1.00 0.00 WT1 H
+ATOM 11502 OH2 TIP3W7707 -21.898 -29.626 -16.080 1.00 0.00 WT1 O
+ATOM 11503 H1 TIP3W7707 -21.098 -29.217 -16.491 1.00 0.00 WT1 H
+ATOM 11504 H2 TIP3W7707 -22.533 -28.978 -16.264 1.00 0.00 WT1 H
+ATOM 11505 OH2 TIP3W7711 18.413 0.586 -20.291 1.00 0.00 WT1 O
+ATOM 11506 H1 TIP3W7711 18.225 -0.225 -19.881 1.00 0.00 WT1 H
+ATOM 11507 H2 TIP3W7711 18.513 1.183 -19.559 1.00 0.00 WT1 H
+ATOM 11508 OH2 TIP3W7712 17.162 -7.069 -2.363 1.00 0.00 WT1 O
+ATOM 11509 H1 TIP3W7712 17.919 -7.099 -1.757 1.00 0.00 WT1 H
+ATOM 11510 H2 TIP3W7712 16.437 -7.298 -1.784 1.00 0.00 WT1 H
+ATOM 11511 OH2 TIP3W7714 18.907 -7.250 0.026 1.00 0.00 WT1 O
+ATOM 11512 H1 TIP3W7714 19.769 -6.900 -0.101 1.00 0.00 WT1 H
+ATOM 11513 H2 TIP3W7714 19.090 -8.152 0.387 1.00 0.00 WT1 H
+ATOM 11514 OH2 TIP3W7715 -19.679 6.048 -1.187 1.00 0.00 WT1 O
+ATOM 11515 H1 TIP3W7715 -20.037 5.879 -0.296 1.00 0.00 WT1 H
+ATOM 11516 H2 TIP3W7715 -19.183 6.942 -1.094 1.00 0.00 WT1 H
+ATOM 11517 OH2 TIP3W7716 -15.184 -3.747 -12.833 1.00 0.00 WT1 O
+ATOM 11518 H1 TIP3W7716 -15.977 -3.254 -12.660 1.00 0.00 WT1 H
+ATOM 11519 H2 TIP3W7716 -14.949 -3.495 -13.708 1.00 0.00 WT1 H
+ATOM 11520 OH2 TIP3W7736 19.752 9.318 -2.943 1.00 0.00 WT1 O
+ATOM 11521 H1 TIP3W7736 19.667 8.492 -2.513 1.00 0.00 WT1 H
+ATOM 11522 H2 TIP3W7736 19.427 9.203 -3.829 1.00 0.00 WT1 H
+ATOM 11523 OH2 TIP3W7739 -17.989 -9.022 -0.915 1.00 0.00 WT1 O
+ATOM 11524 H1 TIP3W7739 -18.671 -8.887 -1.590 1.00 0.00 WT1 H
+ATOM 11525 H2 TIP3W7739 -18.174 -8.265 -0.337 1.00 0.00 WT1 H
+ATOM 11526 OH2 TIP3W7748 -21.199 0.345 -21.342 1.00 0.00 WT1 O
+ATOM 11527 H1 TIP3W7748 -20.347 0.350 -21.668 1.00 0.00 WT1 H
+ATOM 11528 H2 TIP3W7748 -21.070 0.321 -20.394 1.00 0.00 WT1 H
+ATOM 11529 OH2 TIP3W7750 20.910 8.960 -20.131 1.00 0.00 WT1 O
+ATOM 11530 H1 TIP3W7750 21.474 9.013 -20.977 1.00 0.00 WT1 H
+ATOM 11531 H2 TIP3W7750 21.500 8.697 -19.478 1.00 0.00 WT1 H
+ATOM 11532 OH2 TIP3W7754 14.080 7.848 -19.659 1.00 0.00 WT1 O
+ATOM 11533 H1 TIP3W7754 14.590 7.029 -19.752 1.00 0.00 WT1 H
+ATOM 11534 H2 TIP3W7754 14.820 8.470 -19.695 1.00 0.00 WT1 H
+ATOM 11535 OH2 TIP3W7755 21.247 4.710 -11.550 1.00 0.00 WT1 O
+ATOM 11536 H1 TIP3W7755 20.942 5.501 -11.995 1.00 0.00 WT1 H
+ATOM 11537 H2 TIP3W7755 20.463 4.181 -11.593 1.00 0.00 WT1 H
+ATOM 11538 OH2 TIP3W7756 18.503 7.314 15.551 1.00 0.00 WT1 O
+ATOM 11539 H1 TIP3W7756 18.325 6.843 16.387 1.00 0.00 WT1 H
+ATOM 11540 H2 TIP3W7756 17.630 7.445 15.132 1.00 0.00 WT1 H
+ATOM 11541 OH2 TIP3W7762 16.042 12.596 9.265 1.00 0.00 WT1 O
+ATOM 11542 H1 TIP3W7762 15.384 11.943 9.631 1.00 0.00 WT1 H
+ATOM 11543 H2 TIP3W7762 16.537 12.068 8.649 1.00 0.00 WT1 H
+ATOM 11544 OH2 TIP3W7773 15.912 10.482 -19.040 1.00 0.00 WT1 O
+ATOM 11545 H1 TIP3W7773 16.514 11.203 -18.948 1.00 0.00 WT1 H
+ATOM 11546 H2 TIP3W7773 16.132 10.056 -19.895 1.00 0.00 WT1 H
+ATOM 11547 OH2 TIP3W7784 -20.059 8.803 21.997 1.00 0.00 WT1 O
+ATOM 11548 H1 TIP3W7784 -19.347 8.134 22.222 1.00 0.00 WT1 H
+ATOM 11549 H2 TIP3W7784 -20.425 8.378 21.104 1.00 0.00 WT1 H
+ATOM 11550 OH2 TIP3W7798 20.180 11.248 -6.747 1.00 0.00 WT1 O
+ATOM 11551 H1 TIP3W7798 20.793 11.693 -6.137 1.00 0.00 WT1 H
+ATOM 11552 H2 TIP3W7798 19.693 11.959 -7.127 1.00 0.00 WT1 H
+ATOM 11553 OH2 TIP3W7818 21.697 16.550 -10.959 1.00 0.00 WT1 O
+ATOM 11554 H1 TIP3W7818 22.288 17.278 -10.935 1.00 0.00 WT1 H
+ATOM 11555 H2 TIP3W7818 20.828 17.016 -10.913 1.00 0.00 WT1 H
+ATOM 11556 OH2 TIP3W7825 -14.922 14.968 4.433 1.00 0.00 WT1 O
+ATOM 11557 H1 TIP3W7825 -14.682 15.001 3.558 1.00 0.00 WT1 H
+ATOM 11558 H2 TIP3W7825 -15.669 14.349 4.436 1.00 0.00 WT1 H
+ATOM 11559 OH2 TIP3W7831 20.476 20.974 21.966 1.00 0.00 WT1 O
+ATOM 11560 H1 TIP3W7831 19.698 21.431 21.697 1.00 0.00 WT1 H
+ATOM 11561 H2 TIP3W7831 21.159 21.511 21.696 1.00 0.00 WT1 H
+ATOM 11562 OH2 TIP3W7833 -21.173 12.652 -22.390 1.00 0.00 WT1 O
+ATOM 11563 H1 TIP3W7833 -20.602 13.364 -21.968 1.00 0.00 WT1 H
+ATOM 11564 H2 TIP3W7833 -20.568 12.148 -22.851 1.00 0.00 WT1 H
+ATOM 11565 OH2 TIP3W7846 -21.438 18.439 12.085 1.00 0.00 WT1 O
+ATOM 11566 H1 TIP3W7846 -20.991 18.711 11.274 1.00 0.00 WT1 H
+ATOM 11567 H2 TIP3W7846 -20.736 18.123 12.680 1.00 0.00 WT1 H
+ATOM 11568 OH2 TIP3W7859 17.218 12.843 -19.546 1.00 0.00 WT1 O
+ATOM 11569 H1 TIP3W7859 16.805 13.497 -19.013 1.00 0.00 WT1 H
+ATOM 11570 H2 TIP3W7859 17.453 13.372 -20.331 1.00 0.00 WT1 H
+ATOM 11571 OH2 TIP3W7860 14.421 -17.317 5.057 1.00 0.00 WT1 O
+ATOM 11572 H1 TIP3W7860 13.710 -17.997 5.283 1.00 0.00 WT1 H
+ATOM 11573 H2 TIP3W7860 14.371 -17.329 4.084 1.00 0.00 WT1 H
+ATOM 11574 OH2 TIP3W7873 20.017 11.266 20.112 1.00 0.00 WT1 O
+ATOM 11575 H1 TIP3W7873 19.348 10.781 19.558 1.00 0.00 WT1 H
+ATOM 11576 H2 TIP3W7873 19.873 10.848 21.025 1.00 0.00 WT1 H
+ATOM 11577 OH2 TIP3W7888 9.383 20.414 14.065 1.00 0.00 WT1 O
+ATOM 11578 H1 TIP3W7888 10.165 19.989 14.331 1.00 0.00 WT1 H
+ATOM 11579 H2 TIP3W7888 8.849 19.675 13.770 1.00 0.00 WT1 H
+ATOM 11580 OH2 TIP3W7904 16.554 -31.859 6.034 1.00 0.00 WT1 O
+ATOM 11581 H1 TIP3W7904 16.053 -32.348 5.333 1.00 0.00 WT1 H
+ATOM 11582 H2 TIP3W7904 17.232 -31.310 5.576 1.00 0.00 WT1 H
+ATOM 11583 OH2 TIP3W7905 20.375 20.855 -14.858 1.00 0.00 WT1 O
+ATOM 11584 H1 TIP3W7905 20.312 21.615 -14.233 1.00 0.00 WT1 H
+ATOM 11585 H2 TIP3W7905 19.525 20.809 -15.373 1.00 0.00 WT1 H
+ATOM 11586 OH2 TIP3W7920 16.888 30.596 -19.457 1.00 0.00 WT1 O
+ATOM 11587 H1 TIP3W7920 17.025 31.552 -19.495 1.00 0.00 WT1 H
+ATOM 11588 H2 TIP3W7920 16.050 30.534 -19.027 1.00 0.00 WT1 H
+ATOM 11589 OH2 TIP3W7922 22.063 -25.277 -5.959 1.00 0.00 WT1 O
+ATOM 11590 H1 TIP3W7922 21.930 -24.314 -5.767 1.00 0.00 WT1 H
+ATOM 11591 H2 TIP3W7922 22.232 -25.304 -6.962 1.00 0.00 WT1 H
+ATOM 11592 OH2 TIP3W7925 -21.982 27.970 4.780 1.00 0.00 WT1 O
+ATOM 11593 H1 TIP3W7925 -21.413 27.580 5.487 1.00 0.00 WT1 H
+ATOM 11594 H2 TIP3W7925 -21.377 28.257 4.091 1.00 0.00 WT1 H
+ATOM 11595 OH2 TIP3W7944 -19.710 29.272 -8.255 1.00 0.00 WT1 O
+ATOM 11596 H1 TIP3W7944 -19.338 28.403 -8.426 1.00 0.00 WT1 H
+ATOM 11597 H2 TIP3W7944 -19.318 29.780 -8.954 1.00 0.00 WT1 H
+ATOM 11598 OH2 TIP3W7945 -13.351 -26.820 0.135 1.00 0.00 WT1 O
+ATOM 11599 H1 TIP3W7945 -13.128 -26.272 0.905 1.00 0.00 WT1 H
+ATOM 11600 H2 TIP3W7945 -14.101 -26.276 -0.222 1.00 0.00 WT1 H
+ATOM 11601 OH2 TIP3W7951 -19.141 -28.540 15.755 1.00 0.00 WT1 O
+ATOM 11602 H1 TIP3W7951 -18.785 -29.089 15.015 1.00 0.00 WT1 H
+ATOM 11603 H2 TIP3W7951 -19.400 -29.189 16.432 1.00 0.00 WT1 H
+ATOM 11604 OH2 TIP3W7959 -19.400 27.884 -22.415 1.00 0.00 WT1 O
+ATOM 11605 H1 TIP3W7959 -18.654 27.744 -23.016 1.00 0.00 WT1 H
+ATOM 11606 H2 TIP3W7959 -20.045 27.379 -22.924 1.00 0.00 WT1 H
+ATOM 11607 OH2 TIP3W7964 14.743 -12.988 -8.391 1.00 0.00 WT1 O
+ATOM 11608 H1 TIP3W7964 15.621 -13.119 -7.907 1.00 0.00 WT1 H
+ATOM 11609 H2 TIP3W7964 14.419 -13.888 -8.502 1.00 0.00 WT1 H
+ATOM 11610 OH2 TIP3W7979 -19.486 26.754 -17.895 1.00 0.00 WT1 O
+ATOM 11611 H1 TIP3W7979 -20.106 25.987 -17.823 1.00 0.00 WT1 H
+ATOM 11612 H2 TIP3W7979 -19.769 27.178 -18.680 1.00 0.00 WT1 H
+ATOM 11613 OH2 TIP3W7985 -22.137 -25.041 -14.054 1.00 0.00 WT1 O
+ATOM 11614 H1 TIP3W7985 -22.384 -25.928 -14.099 1.00 0.00 WT1 H
+ATOM 11615 H2 TIP3W7985 -21.790 -24.844 -14.938 1.00 0.00 WT1 H
+ATOM 11616 OH2 TIP3W7988 17.674 -7.412 4.813 1.00 0.00 WT1 O
+ATOM 11617 H1 TIP3W7988 18.050 -8.291 5.170 1.00 0.00 WT1 H
+ATOM 11618 H2 TIP3W7988 17.723 -6.784 5.558 1.00 0.00 WT1 H
+ATOM 11619 OH2 TIP3W8000 -21.473 28.554 22.088 1.00 0.00 WT1 O
+ATOM 11620 H1 TIP3W8000 -22.215 28.630 21.482 1.00 0.00 WT1 H
+ATOM 11621 H2 TIP3W8000 -21.133 27.667 21.963 1.00 0.00 WT1 H
+ATOM 11622 OH2 TIP3W8014 -19.082 -10.617 10.816 1.00 0.00 WT1 O
+ATOM 11623 H1 TIP3W8014 -18.559 -10.837 10.043 1.00 0.00 WT1 H
+ATOM 11624 H2 TIP3W8014 -19.742 -10.036 10.441 1.00 0.00 WT1 H
+ATOM 11625 OH2 TIP3W8023 -21.673 -20.087 -22.257 1.00 0.00 WT1 O
+ATOM 11626 H1 TIP3W8023 -21.963 -20.707 -22.926 1.00 0.00 WT1 H
+ATOM 11627 H2 TIP3W8023 -21.296 -20.623 -21.566 1.00 0.00 WT1 H
+ATOM 11628 OH2 TIP3W8024 -18.477 -6.418 -13.045 1.00 0.00 WT1 O
+ATOM 11629 H1 TIP3W8024 -17.583 -6.762 -12.844 1.00 0.00 WT1 H
+ATOM 11630 H2 TIP3W8024 -18.269 -5.639 -13.611 1.00 0.00 WT1 H
+ATOM 11631 OH2 TIP3W8029 -14.697 -15.410 -8.834 1.00 0.00 WT1 O
+ATOM 11632 H1 TIP3W8029 -14.651 -15.226 -9.836 1.00 0.00 WT1 H
+ATOM 11633 H2 TIP3W8029 -13.984 -14.845 -8.460 1.00 0.00 WT1 H
+ATOM 11634 OH2 TIP3W8030 20.551 -13.752 -10.990 1.00 0.00 WT1 O
+ATOM 11635 H1 TIP3W8030 20.575 -13.573 -12.005 1.00 0.00 WT1 H
+ATOM 11636 H2 TIP3W8030 20.614 -12.912 -10.606 1.00 0.00 WT1 H
+ATOM 11637 OH2 TIP3W8034 -21.085 -26.982 21.347 1.00 0.00 WT1 O
+ATOM 11638 H1 TIP3W8034 -20.138 -27.221 21.496 1.00 0.00 WT1 H
+ATOM 11639 H2 TIP3W8034 -21.054 -26.103 21.770 1.00 0.00 WT1 H
+ATOM 11640 OH2 TIP3W8046 -19.356 -9.525 -11.458 1.00 0.00 WT1 O
+ATOM 11641 H1 TIP3W8046 -18.985 -10.457 -11.524 1.00 0.00 WT1 H
+ATOM 11642 H2 TIP3W8046 -19.725 -9.415 -12.341 1.00 0.00 WT1 H
+ATOM 11643 OH2 TIP3W8055 -16.424 -14.696 11.893 1.00 0.00 WT1 O
+ATOM 11644 H1 TIP3W8055 -15.942 -14.741 12.719 1.00 0.00 WT1 H
+ATOM 11645 H2 TIP3W8055 -16.020 -13.914 11.457 1.00 0.00 WT1 H
+ATOM 11646 OH2 TIP3W8064 -17.966 -10.072 -16.064 1.00 0.00 WT1 O
+ATOM 11647 H1 TIP3W8064 -18.832 -9.816 -15.604 1.00 0.00 WT1 H
+ATOM 11648 H2 TIP3W8064 -17.408 -10.058 -15.287 1.00 0.00 WT1 H
+ATOM 11649 OH2 TIP3W8068 -21.462 -9.445 -9.680 1.00 0.00 WT1 O
+ATOM 11650 H1 TIP3W8068 -20.749 -9.506 -10.334 1.00 0.00 WT1 H
+ATOM 11651 H2 TIP3W8068 -21.901 -8.608 -9.884 1.00 0.00 WT1 H
+ATOM 11652 OH2 TIP3W8070 10.879 -24.905 -16.074 1.00 0.00 WT1 O
+ATOM 11653 H1 TIP3W8070 10.754 -25.278 -17.002 1.00 0.00 WT1 H
+ATOM 11654 H2 TIP3W8070 11.154 -25.674 -15.518 1.00 0.00 WT1 H
+ATOM 11655 OH2 TIP3W8073 13.940 -15.026 6.316 1.00 0.00 WT1 O
+ATOM 11656 H1 TIP3W8073 14.369 -15.754 5.839 1.00 0.00 WT1 H
+ATOM 11657 H2 TIP3W8073 14.007 -15.316 7.234 1.00 0.00 WT1 H
+ATOM 11658 OH2 TIP3W8076 -15.220 -8.141 5.697 1.00 0.00 WT1 O
+ATOM 11659 H1 TIP3W8076 -16.066 -8.149 6.221 1.00 0.00 WT1 H
+ATOM 11660 H2 TIP3W8076 -15.509 -8.409 4.790 1.00 0.00 WT1 H
+ATOM 11661 OH2 TIP3W8087 21.094 -22.463 -22.566 1.00 0.00 WT1 O
+ATOM 11662 H1 TIP3W8087 20.591 -23.176 -22.875 1.00 0.00 WT1 H
+ATOM 11663 H2 TIP3W8087 21.378 -22.831 -21.677 1.00 0.00 WT1 H
+ATOM 11664 OH2 TIP3W8091 21.489 -5.348 -9.484 1.00 0.00 WT1 O
+ATOM 11665 H1 TIP3W8091 20.966 -5.466 -8.634 1.00 0.00 WT1 H
+ATOM 11666 H2 TIP3W8091 20.837 -5.289 -10.227 1.00 0.00 WT1 H
+ATOM 11667 OH2 TIP3W8094 -13.851 -7.785 15.734 1.00 0.00 WT1 O
+ATOM 11668 H1 TIP3W8094 -13.117 -8.385 15.521 1.00 0.00 WT1 H
+ATOM 11669 H2 TIP3W8094 -14.314 -7.791 14.910 1.00 0.00 WT1 H
+ATOM 11670 OH2 TIP3W8097 -10.765 -10.504 20.240 1.00 0.00 WT1 O
+ATOM 11671 H1 TIP3W8097 -11.019 -9.587 20.174 1.00 0.00 WT1 H
+ATOM 11672 H2 TIP3W8097 -11.161 -10.890 19.444 1.00 0.00 WT1 H
+ATOM 11673 OH2 TIP3W8107 19.107 -5.743 -19.487 1.00 0.00 WT1 O
+ATOM 11674 H1 TIP3W8107 18.264 -6.096 -19.892 1.00 0.00 WT1 H
+ATOM 11675 H2 TIP3W8107 19.744 -6.342 -19.984 1.00 0.00 WT1 H
+ATOM 11676 OH2 TIP3W8109 18.074 -15.748 -20.585 1.00 0.00 WT1 O
+ATOM 11677 H1 TIP3W8109 18.120 -14.966 -21.044 1.00 0.00 WT1 H
+ATOM 11678 H2 TIP3W8109 17.841 -15.436 -19.693 1.00 0.00 WT1 H
+ATOM 11679 OH2 TIP3W8113 19.575 -6.255 -14.106 1.00 0.00 WT1 O
+ATOM 11680 H1 TIP3W8113 18.554 -6.095 -14.090 1.00 0.00 WT1 H
+ATOM 11681 H2 TIP3W8113 19.924 -5.699 -14.833 1.00 0.00 WT1 H
+ATOM 11682 OH2 TIP3W8133 -21.548 -2.602 1.146 1.00 0.00 WT1 O
+ATOM 11683 H1 TIP3W8133 -21.408 -3.546 0.933 1.00 0.00 WT1 H
+ATOM 11684 H2 TIP3W8133 -21.939 -2.673 2.037 1.00 0.00 WT1 H
+ATOM 11685 OH2 TIP3W8136 -21.172 -0.977 -10.892 1.00 0.00 WT1 O
+ATOM 11686 H1 TIP3W8136 -20.511 -1.442 -11.443 1.00 0.00 WT1 H
+ATOM 11687 H2 TIP3W8136 -20.844 -0.053 -10.853 1.00 0.00 WT1 H
+ATOM 11688 OH2 TIP3W8140 -18.712 -0.355 17.072 1.00 0.00 WT1 O
+ATOM 11689 H1 TIP3W8140 -18.906 -1.314 17.027 1.00 0.00 WT1 H
+ATOM 11690 H2 TIP3W8140 -19.466 0.012 16.500 1.00 0.00 WT1 H
+ATOM 11691 OH2 TIP3W8173 -21.309 12.594 -10.400 1.00 0.00 WT1 O
+ATOM 11692 H1 TIP3W8173 -20.538 12.390 -10.901 1.00 0.00 WT1 H
+ATOM 11693 H2 TIP3W8173 -20.857 12.968 -9.524 1.00 0.00 WT1 H
+ATOM 11694 OH2 TIP3W8174 -19.823 -5.511 -10.890 1.00 0.00 WT1 O
+ATOM 11695 H1 TIP3W8174 -19.185 -6.043 -11.449 1.00 0.00 WT1 H
+ATOM 11696 H2 TIP3W8174 -19.835 -4.682 -11.335 1.00 0.00 WT1 H
+ATOM 11697 OH2 TIP3W8176 -18.472 1.582 5.083 1.00 0.00 WT1 O
+ATOM 11698 H1 TIP3W8176 -18.204 2.532 4.905 1.00 0.00 WT1 H
+ATOM 11699 H2 TIP3W8176 -18.239 1.499 6.012 1.00 0.00 WT1 H
+ATOM 11700 OH2 TIP3W8181 20.755 14.348 -1.149 1.00 0.00 WT1 O
+ATOM 11701 H1 TIP3W8181 20.794 15.131 -1.735 1.00 0.00 WT1 H
+ATOM 11702 H2 TIP3W8181 20.204 13.750 -1.668 1.00 0.00 WT1 H
+ATOM 11703 OH2 TIP3W8185 14.994 -6.303 13.521 1.00 0.00 WT1 O
+ATOM 11704 H1 TIP3W8185 14.222 -6.771 13.162 1.00 0.00 WT1 H
+ATOM 11705 H2 TIP3W8185 15.109 -6.793 14.384 1.00 0.00 WT1 H
+ATOM 11706 OH2 TIP3W8193 -20.790 2.969 -16.236 1.00 0.00 WT1 O
+ATOM 11707 H1 TIP3W8193 -21.724 2.971 -16.572 1.00 0.00 WT1 H
+ATOM 11708 H2 TIP3W8193 -20.404 3.763 -16.841 1.00 0.00 WT1 H
+ATOM 11709 OH2 TIP3W8201 21.424 -6.282 11.358 1.00 0.00 WT1 O
+ATOM 11710 H1 TIP3W8201 20.736 -6.552 10.705 1.00 0.00 WT1 H
+ATOM 11711 H2 TIP3W8201 21.964 -5.622 10.916 1.00 0.00 WT1 H
+ATOM 11712 OH2 TIP3W8202 -10.934 -1.258 21.049 1.00 0.00 WT1 O
+ATOM 11713 H1 TIP3W8202 -9.974 -1.172 21.383 1.00 0.00 WT1 H
+ATOM 11714 H2 TIP3W8202 -11.321 -1.934 21.600 1.00 0.00 WT1 H
+ATOM 11715 OH2 TIP3W8206 -11.673 -6.074 16.168 1.00 0.00 WT1 O
+ATOM 11716 H1 TIP3W8206 -12.364 -6.702 15.977 1.00 0.00 WT1 H
+ATOM 11717 H2 TIP3W8206 -11.082 -6.697 16.678 1.00 0.00 WT1 H
+ATOM 11718 OH2 TIP3W8212 21.490 14.227 -12.390 1.00 0.00 WT1 O
+ATOM 11719 H1 TIP3W8212 22.266 13.703 -12.389 1.00 0.00 WT1 H
+ATOM 11720 H2 TIP3W8212 21.799 15.079 -12.051 1.00 0.00 WT1 H
+ATOM 11721 OH2 TIP3W8215 21.822 9.711 -8.581 1.00 0.00 WT1 O
+ATOM 11722 H1 TIP3W8215 21.361 10.496 -8.179 1.00 0.00 WT1 H
+ATOM 11723 H2 TIP3W8215 21.999 9.166 -7.805 1.00 0.00 WT1 H
+ATOM 11724 OH2 TIP3W8218 -22.096 15.484 -5.561 1.00 0.00 WT1 O
+ATOM 11725 H1 TIP3W8218 -22.198 15.906 -6.405 1.00 0.00 WT1 H
+ATOM 11726 H2 TIP3W8218 -21.167 15.577 -5.496 1.00 0.00 WT1 H
+ATOM 11727 OH2 TIP3W8222 -18.109 6.977 11.222 1.00 0.00 WT1 O
+ATOM 11728 H1 TIP3W8222 -17.982 6.299 10.547 1.00 0.00 WT1 H
+ATOM 11729 H2 TIP3W8222 -18.476 6.406 11.953 1.00 0.00 WT1 H
+ATOM 11730 OH2 TIP3W8229 -19.552 19.713 5.766 1.00 0.00 WT1 O
+ATOM 11731 H1 TIP3W8229 -19.716 20.616 5.676 1.00 0.00 WT1 H
+ATOM 11732 H2 TIP3W8229 -18.920 19.762 6.509 1.00 0.00 WT1 H
+ATOM 11733 OH2 TIP3W8241 -15.769 15.382 11.044 1.00 0.00 WT1 O
+ATOM 11734 H1 TIP3W8241 -15.300 15.827 10.375 1.00 0.00 WT1 H
+ATOM 11735 H2 TIP3W8241 -16.467 14.970 10.603 1.00 0.00 WT1 H
+ATOM 11736 OH2 TIP3W8243 22.010 10.845 11.095 1.00 0.00 WT1 O
+ATOM 11737 H1 TIP3W8243 22.098 10.403 11.991 1.00 0.00 WT1 H
+ATOM 11738 H2 TIP3W8243 21.565 11.678 11.170 1.00 0.00 WT1 H
+ATOM 11739 OH2 TIP3W8260 -20.979 24.345 -8.381 1.00 0.00 WT1 O
+ATOM 11740 H1 TIP3W8260 -21.575 23.561 -8.438 1.00 0.00 WT1 H
+ATOM 11741 H2 TIP3W8260 -21.073 24.695 -9.297 1.00 0.00 WT1 H
+ATOM 11742 OH2 TIP3W8262 21.900 12.122 6.386 1.00 0.00 WT1 O
+ATOM 11743 H1 TIP3W8262 21.624 11.257 5.899 1.00 0.00 WT1 H
+ATOM 11744 H2 TIP3W8262 21.404 12.754 5.880 1.00 0.00 WT1 H
+ATOM 11745 OH2 TIP3W8263 -19.347 4.337 4.928 1.00 0.00 WT1 O
+ATOM 11746 H1 TIP3W8263 -19.979 3.945 5.528 1.00 0.00 WT1 H
+ATOM 11747 H2 TIP3W8263 -19.877 4.596 4.133 1.00 0.00 WT1 H
+ATOM 11748 OH2 TIP3W8264 -21.937 21.583 11.441 1.00 0.00 WT1 O
+ATOM 11749 H1 TIP3W8264 -22.027 20.712 11.913 1.00 0.00 WT1 H
+ATOM 11750 H2 TIP3W8264 -21.013 21.901 11.620 1.00 0.00 WT1 H
+ATOM 11751 OH2 TIP3W8265 -20.526 2.415 14.003 1.00 0.00 WT1 O
+ATOM 11752 H1 TIP3W8265 -20.725 3.214 14.469 1.00 0.00 WT1 H
+ATOM 11753 H2 TIP3W8265 -19.567 2.478 14.085 1.00 0.00 WT1 H
+ATOM 11754 OH2 TIP3W8266 -18.207 10.752 17.799 1.00 0.00 WT1 O
+ATOM 11755 H1 TIP3W8266 -18.715 11.155 18.558 1.00 0.00 WT1 H
+ATOM 11756 H2 TIP3W8266 -18.841 10.054 17.520 1.00 0.00 WT1 H
+ATOM 11757 OH2 TIP3W8278 -21.845 31.356 -19.932 1.00 0.00 WT1 O
+ATOM 11758 H1 TIP3W8278 -21.874 31.191 -18.915 1.00 0.00 WT1 H
+ATOM 11759 H2 TIP3W8278 -22.456 30.757 -20.370 1.00 0.00 WT1 H
+ATOM 11760 OH2 TIP3W8284 21.516 5.724 10.041 1.00 0.00 WT1 O
+ATOM 11761 H1 TIP3W8284 21.257 5.673 11.002 1.00 0.00 WT1 H
+ATOM 11762 H2 TIP3W8284 22.454 5.520 10.136 1.00 0.00 WT1 H
+ATOM 11763 OH2 TIP3W8289 -7.021 16.238 7.461 1.00 0.00 WT1 O
+ATOM 11764 H1 TIP3W8289 -6.167 16.676 7.710 1.00 0.00 WT1 H
+ATOM 11765 H2 TIP3W8289 -7.078 16.482 6.539 1.00 0.00 WT1 H
+ATOM 11766 OH2 TIP3W8290 -18.066 -30.278 20.056 1.00 0.00 WT1 O
+ATOM 11767 H1 TIP3W8290 -18.588 -30.181 20.868 1.00 0.00 WT1 H
+ATOM 11768 H2 TIP3W8290 -17.178 -30.053 20.345 1.00 0.00 WT1 H
+ATOM 11769 OH2 TIP3W8305 17.842 27.684 -8.088 1.00 0.00 WT1 O
+ATOM 11770 H1 TIP3W8305 17.745 28.057 -9.023 1.00 0.00 WT1 H
+ATOM 11771 H2 TIP3W8305 18.395 28.374 -7.740 1.00 0.00 WT1 H
+ATOM 11772 OH2 TIP3W8308 -20.171 32.110 12.000 1.00 0.00 WT1 O
+ATOM 11773 H1 TIP3W8308 -20.653 31.504 11.364 1.00 0.00 WT1 H
+ATOM 11774 H2 TIP3W8308 -19.298 32.078 11.674 1.00 0.00 WT1 H
+ATOM 11775 OH2 TIP3W8309 -21.823 -27.749 18.815 1.00 0.00 WT1 O
+ATOM 11776 H1 TIP3W8309 -21.658 -27.365 19.659 1.00 0.00 WT1 H
+ATOM 11777 H2 TIP3W8309 -21.107 -28.390 18.711 1.00 0.00 WT1 H
+ATOM 11778 OH2 TIP3W8313 12.504 27.621 15.886 1.00 0.00 WT1 O
+ATOM 11779 H1 TIP3W8313 12.693 26.739 15.646 1.00 0.00 WT1 H
+ATOM 11780 H2 TIP3W8313 11.642 27.767 15.504 1.00 0.00 WT1 H
+ATOM 11781 OH2 TIP3W8318 21.284 30.564 2.075 1.00 0.00 WT1 O
+ATOM 11782 H1 TIP3W8318 21.641 31.093 1.443 1.00 0.00 WT1 H
+ATOM 11783 H2 TIP3W8318 20.387 30.664 1.918 1.00 0.00 WT1 H
+ATOM 11784 OH2 TIP3W8326 15.414 -27.895 4.492 1.00 0.00 WT1 O
+ATOM 11785 H1 TIP3W8326 15.019 -28.774 4.229 1.00 0.00 WT1 H
+ATOM 11786 H2 TIP3W8326 14.595 -27.405 4.706 1.00 0.00 WT1 H
+ATOM 11787 OH2 TIP3W8328 -19.649 22.066 21.606 1.00 0.00 WT1 O
+ATOM 11788 H1 TIP3W8328 -19.526 22.773 22.298 1.00 0.00 WT1 H
+ATOM 11789 H2 TIP3W8328 -19.502 21.190 22.074 1.00 0.00 WT1 H
+ATOM 11790 OH2 TIP3W8333 18.093 20.551 12.661 1.00 0.00 WT1 O
+ATOM 11791 H1 TIP3W8333 18.382 21.029 11.883 1.00 0.00 WT1 H
+ATOM 11792 H2 TIP3W8333 18.806 20.750 13.246 1.00 0.00 WT1 H
+ATOM 11793 OH2 TIP3W8340 14.870 28.517 1.119 1.00 0.00 WT1 O
+ATOM 11794 H1 TIP3W8340 14.684 29.147 0.374 1.00 0.00 WT1 H
+ATOM 11795 H2 TIP3W8340 14.570 27.662 0.748 1.00 0.00 WT1 H
+ATOM 11796 OH2 TIP3W8342 19.088 -24.718 6.655 1.00 0.00 WT1 O
+ATOM 11797 H1 TIP3W8342 18.932 -24.259 5.813 1.00 0.00 WT1 H
+ATOM 11798 H2 TIP3W8342 18.610 -24.259 7.396 1.00 0.00 WT1 H
+ATOM 11799 OH2 TIP3W8345 19.053 -12.073 -16.691 1.00 0.00 WT1 O
+ATOM 11800 H1 TIP3W8345 18.853 -11.475 -17.487 1.00 0.00 WT1 H
+ATOM 11801 H2 TIP3W8345 19.763 -11.692 -16.164 1.00 0.00 WT1 H
+ATOM 11802 OH2 TIP3W8350 -14.309 27.837 20.751 1.00 0.00 WT1 O
+ATOM 11803 H1 TIP3W8350 -14.291 28.799 20.408 1.00 0.00 WT1 H
+ATOM 11804 H2 TIP3W8350 -15.092 27.504 20.317 1.00 0.00 WT1 H
+ATOM 11805 OH2 TIP3W8351 -21.294 29.941 19.511 1.00 0.00 WT1 O
+ATOM 11806 H1 TIP3W8351 -21.201 30.633 20.185 1.00 0.00 WT1 H
+ATOM 11807 H2 TIP3W8351 -22.260 29.762 19.357 1.00 0.00 WT1 H
+ATOM 11808 OH2 TIP3W8352 -18.461 14.003 10.327 1.00 0.00 WT1 O
+ATOM 11809 H1 TIP3W8352 -18.387 13.060 10.479 1.00 0.00 WT1 H
+ATOM 11810 H2 TIP3W8352 -18.860 14.317 11.144 1.00 0.00 WT1 H
+ATOM 11811 OH2 TIP3W8364 -14.025 -21.483 -6.313 1.00 0.00 WT1 O
+ATOM 11812 H1 TIP3W8364 -14.670 -21.219 -6.992 1.00 0.00 WT1 H
+ATOM 11813 H2 TIP3W8364 -14.277 -22.399 -6.071 1.00 0.00 WT1 H
+ATOM 11814 OH2 TIP3W8366 15.845 21.343 -12.773 1.00 0.00 WT1 O
+ATOM 11815 H1 TIP3W8366 16.732 21.564 -12.406 1.00 0.00 WT1 H
+ATOM 11816 H2 TIP3W8366 16.027 20.512 -13.284 1.00 0.00 WT1 H
+ATOM 11817 OH2 TIP3W8368 -22.301 20.324 5.440 1.00 0.00 WT1 O
+ATOM 11818 H1 TIP3W8368 -21.968 21.107 4.882 1.00 0.00 WT1 H
+ATOM 11819 H2 TIP3W8368 -21.453 19.772 5.481 1.00 0.00 WT1 H
+ATOM 11820 OH2 TIP3W8370 -6.574 -28.339 1.047 1.00 0.00 WT1 O
+ATOM 11821 H1 TIP3W8370 -5.965 -28.621 0.327 1.00 0.00 WT1 H
+ATOM 11822 H2 TIP3W8370 -6.031 -28.399 1.819 1.00 0.00 WT1 H
+ATOM 11823 OH2 TIP3W8387 -17.065 20.487 3.180 1.00 0.00 WT1 O
+ATOM 11824 H1 TIP3W8387 -16.499 19.734 3.208 1.00 0.00 WT1 H
+ATOM 11825 H2 TIP3W8387 -17.662 20.274 2.458 1.00 0.00 WT1 H
+ATOM 11826 OH2 TIP3W8393 -20.265 -24.385 21.807 1.00 0.00 WT1 O
+ATOM 11827 H1 TIP3W8393 -20.710 -23.796 22.471 1.00 0.00 WT1 H
+ATOM 11828 H2 TIP3W8393 -20.444 -23.840 20.932 1.00 0.00 WT1 H
+ATOM 11829 OH2 TIP3W8394 -13.596 -24.776 13.558 1.00 0.00 WT1 O
+ATOM 11830 H1 TIP3W8394 -13.009 -24.106 13.876 1.00 0.00 WT1 H
+ATOM 11831 H2 TIP3W8394 -14.426 -24.686 14.129 1.00 0.00 WT1 H
+ATOM 11832 OH2 TIP3W8403 -17.835 -13.398 -20.380 1.00 0.00 WT1 O
+ATOM 11833 H1 TIP3W8403 -17.832 -13.429 -19.434 1.00 0.00 WT1 H
+ATOM 11834 H2 TIP3W8403 -17.286 -14.101 -20.582 1.00 0.00 WT1 H
+ATOM 11835 OH2 TIP3W8408 -21.995 -27.754 2.134 1.00 0.00 WT1 O
+ATOM 11836 H1 TIP3W8408 -21.839 -27.914 1.187 1.00 0.00 WT1 H
+ATOM 11837 H2 TIP3W8408 -21.330 -28.304 2.591 1.00 0.00 WT1 H
+ATOM 11838 OH2 TIP3W8409 11.367 -26.002 -0.753 1.00 0.00 WT1 O
+ATOM 11839 H1 TIP3W8409 11.718 -26.798 -1.256 1.00 0.00 WT1 H
+ATOM 11840 H2 TIP3W8409 11.981 -25.283 -0.997 1.00 0.00 WT1 H
+ATOM 11841 OH2 TIP3W8411 -19.180 -32.290 -8.701 1.00 0.00 WT1 O
+ATOM 11842 H1 TIP3W8411 -19.238 -32.163 -9.648 1.00 0.00 WT1 H
+ATOM 11843 H2 TIP3W8411 -18.208 -32.217 -8.470 1.00 0.00 WT1 H
+ATOM 11844 OH2 TIP3W8412 -14.417 -30.270 14.404 1.00 0.00 WT1 O
+ATOM 11845 H1 TIP3W8412 -14.325 -29.321 14.596 1.00 0.00 WT1 H
+ATOM 11846 H2 TIP3W8412 -14.681 -30.239 13.437 1.00 0.00 WT1 H
+ATOM 11847 OH2 TIP3W8414 -19.196 -14.684 22.597 1.00 0.00 WT1 O
+ATOM 11848 H1 TIP3W8414 -19.129 -14.070 21.867 1.00 0.00 WT1 H
+ATOM 11849 H2 TIP3W8414 -18.443 -14.496 23.139 1.00 0.00 WT1 H
+ATOM 11850 OH2 TIP3W8415 -17.311 -18.638 20.327 1.00 0.00 WT1 O
+ATOM 11851 H1 TIP3W8415 -16.769 -19.368 20.830 1.00 0.00 WT1 H
+ATOM 11852 H2 TIP3W8415 -17.922 -19.134 19.807 1.00 0.00 WT1 H
+ATOM 11853 OH2 TIP3W8425 -20.308 -28.485 -21.994 1.00 0.00 WT1 O
+ATOM 11854 H1 TIP3W8425 -19.885 -29.015 -22.634 1.00 0.00 WT1 H
+ATOM 11855 H2 TIP3W8425 -21.030 -29.001 -21.779 1.00 0.00 WT1 H
+ATOM 11856 OH2 TIP3W8436 18.893 -23.605 13.867 1.00 0.00 WT1 O
+ATOM 11857 H1 TIP3W8436 18.407 -23.957 13.159 1.00 0.00 WT1 H
+ATOM 11858 H2 TIP3W8436 19.802 -23.538 13.513 1.00 0.00 WT1 H
+ATOM 11859 OH2 TIP3W8441 -16.340 -11.191 -9.630 1.00 0.00 WT1 O
+ATOM 11860 H1 TIP3W8441 -15.459 -10.874 -9.400 1.00 0.00 WT1 H
+ATOM 11861 H2 TIP3W8441 -16.784 -10.332 -9.739 1.00 0.00 WT1 H
+ATOM 11862 OH2 TIP3W8448 -22.170 -13.005 3.215 1.00 0.00 WT1 O
+ATOM 11863 H1 TIP3W8448 -21.214 -12.695 3.068 1.00 0.00 WT1 H
+ATOM 11864 H2 TIP3W8448 -22.058 -13.868 3.405 1.00 0.00 WT1 H
+ATOM 11865 OH2 TIP3W8457 -13.150 -16.675 9.199 1.00 0.00 WT1 O
+ATOM 11866 H1 TIP3W8457 -13.774 -17.105 9.787 1.00 0.00 WT1 H
+ATOM 11867 H2 TIP3W8457 -12.299 -16.692 9.705 1.00 0.00 WT1 H
+ATOM 11868 OH2 TIP3W8462 15.478 -12.063 -12.537 1.00 0.00 WT1 O
+ATOM 11869 H1 TIP3W8462 15.625 -12.925 -12.102 1.00 0.00 WT1 H
+ATOM 11870 H2 TIP3W8462 14.733 -12.210 -13.221 1.00 0.00 WT1 H
+ATOM 11871 OH2 TIP3W8466 -17.238 -16.948 -17.206 1.00 0.00 WT1 O
+ATOM 11872 H1 TIP3W8466 -17.644 -16.196 -16.729 1.00 0.00 WT1 H
+ATOM 11873 H2 TIP3W8466 -17.622 -17.728 -16.772 1.00 0.00 WT1 H
+ATOM 11874 OH2 TIP3W8468 -21.274 -18.830 -9.365 1.00 0.00 WT1 O
+ATOM 11875 H1 TIP3W8468 -20.992 -19.057 -10.231 1.00 0.00 WT1 H
+ATOM 11876 H2 TIP3W8468 -21.681 -17.964 -9.560 1.00 0.00 WT1 H
+ATOM 11877 OH2 TIP3W8488 -19.780 30.729 -22.191 1.00 0.00 WT1 O
+ATOM 11878 H1 TIP3W8488 -19.842 30.657 -21.256 1.00 0.00 WT1 H
+ATOM 11879 H2 TIP3W8488 -19.595 29.834 -22.455 1.00 0.00 WT1 H
+ATOM 11880 OH2 TIP3W8491 -12.191 -11.032 -0.797 1.00 0.00 WT1 O
+ATOM 11881 H1 TIP3W8491 -11.686 -11.727 -0.400 1.00 0.00 WT1 H
+ATOM 11882 H2 TIP3W8491 -11.904 -10.253 -0.366 1.00 0.00 WT1 H
+ATOM 11883 OH2 TIP3W8492 -20.993 -9.192 9.685 1.00 0.00 WT1 O
+ATOM 11884 H1 TIP3W8492 -21.728 -9.018 10.258 1.00 0.00 WT1 H
+ATOM 11885 H2 TIP3W8492 -21.387 -9.391 8.840 1.00 0.00 WT1 H
+ATOM 11886 OH2 TIP3W8509 17.099 -27.959 -17.031 1.00 0.00 WT1 O
+ATOM 11887 H1 TIP3W8509 16.794 -28.035 -16.113 1.00 0.00 WT1 H
+ATOM 11888 H2 TIP3W8509 17.186 -28.839 -17.327 1.00 0.00 WT1 H
+ATOM 11889 OH2 TIP3W8520 -20.313 -9.108 17.497 1.00 0.00 WT1 O
+ATOM 11890 H1 TIP3W8520 -20.693 -9.179 16.613 1.00 0.00 WT1 H
+ATOM 11891 H2 TIP3W8520 -20.219 -8.139 17.662 1.00 0.00 WT1 H
+ATOM 11892 OH2 TIP3W8528 -16.573 -16.322 -19.868 1.00 0.00 WT1 O
+ATOM 11893 H1 TIP3W8528 -16.570 -16.372 -18.902 1.00 0.00 WT1 H
+ATOM 11894 H2 TIP3W8528 -17.337 -16.891 -20.148 1.00 0.00 WT1 H
+ATOM 11895 OH2 TIP3W8534 -20.402 -10.297 -13.694 1.00 0.00 WT1 O
+ATOM 11896 H1 TIP3W8534 -20.673 -11.110 -13.196 1.00 0.00 WT1 H
+ATOM 11897 H2 TIP3W8534 -21.197 -10.174 -14.230 1.00 0.00 WT1 H
+ATOM 11898 OH2 TIP3W8536 -19.379 -18.428 -5.422 1.00 0.00 WT1 O
+ATOM 11899 H1 TIP3W8536 -18.639 -18.325 -4.821 1.00 0.00 WT1 H
+ATOM 11900 H2 TIP3W8536 -20.001 -17.722 -5.273 1.00 0.00 WT1 H
+ATOM 11901 OH2 TIP3W8548 -8.947 -16.309 -17.925 1.00 0.00 WT1 O
+ATOM 11902 H1 TIP3W8548 -8.487 -17.013 -18.322 1.00 0.00 WT1 H
+ATOM 11903 H2 TIP3W8548 -9.831 -16.683 -17.851 1.00 0.00 WT1 H
+ATOM 11904 OH2 TIP3W8549 -17.988 -3.999 -4.875 1.00 0.00 WT1 O
+ATOM 11905 H1 TIP3W8549 -17.917 -4.090 -5.839 1.00 0.00 WT1 H
+ATOM 11906 H2 TIP3W8549 -17.196 -4.579 -4.552 1.00 0.00 WT1 H
+ATOM 11907 OH2 TIP3W8551 -16.402 1.733 -19.140 1.00 0.00 WT1 O
+ATOM 11908 H1 TIP3W8551 -16.843 2.412 -19.722 1.00 0.00 WT1 H
+ATOM 11909 H2 TIP3W8551 -17.080 1.418 -18.574 1.00 0.00 WT1 H
+ATOM 11910 OH2 TIP3W8555 -16.402 -10.782 1.178 1.00 0.00 WT1 O
+ATOM 11911 H1 TIP3W8555 -16.955 -11.228 0.604 1.00 0.00 WT1 H
+ATOM 11912 H2 TIP3W8555 -16.628 -11.021 2.114 1.00 0.00 WT1 H
+ATOM 11913 OH2 TIP3W8556 -20.605 -15.772 -4.531 1.00 0.00 WT1 O
+ATOM 11914 H1 TIP3W8556 -20.665 -15.226 -3.665 1.00 0.00 WT1 H
+ATOM 11915 H2 TIP3W8556 -19.930 -15.290 -5.038 1.00 0.00 WT1 H
+ATOM 11916 OH2 TIP3W8558 -20.573 -6.618 -8.319 1.00 0.00 WT1 O
+ATOM 11917 H1 TIP3W8558 -21.508 -6.884 -8.188 1.00 0.00 WT1 H
+ATOM 11918 H2 TIP3W8558 -20.468 -6.363 -9.271 1.00 0.00 WT1 H
+ATOM 11919 OH2 TIP3W8564 16.503 -4.795 20.088 1.00 0.00 WT1 O
+ATOM 11920 H1 TIP3W8564 16.869 -5.636 20.261 1.00 0.00 WT1 H
+ATOM 11921 H2 TIP3W8564 16.252 -4.574 20.990 1.00 0.00 WT1 H
+ATOM 11922 OH2 TIP3W8566 -21.257 -8.666 14.743 1.00 0.00 WT1 O
+ATOM 11923 H1 TIP3W8566 -21.417 -9.229 13.972 1.00 0.00 WT1 H
+ATOM 11924 H2 TIP3W8566 -21.863 -7.911 14.568 1.00 0.00 WT1 H
+ATOM 11925 OH2 TIP3W8574 -18.479 -4.125 -7.955 1.00 0.00 WT1 O
+ATOM 11926 H1 TIP3W8574 -17.609 -4.384 -8.412 1.00 0.00 WT1 H
+ATOM 11927 H2 TIP3W8574 -19.032 -4.877 -8.176 1.00 0.00 WT1 H
+ATOM 11928 OH2 TIP3W8576 -12.543 4.445 -9.482 1.00 0.00 WT1 O
+ATOM 11929 H1 TIP3W8576 -11.758 4.885 -9.040 1.00 0.00 WT1 H
+ATOM 11930 H2 TIP3W8576 -13.257 4.955 -9.249 1.00 0.00 WT1 H
+ATOM 11931 OH2 TIP3W8577 21.667 -4.960 6.897 1.00 0.00 WT1 O
+ATOM 11932 H1 TIP3W8577 21.430 -4.162 7.325 1.00 0.00 WT1 H
+ATOM 11933 H2 TIP3W8577 20.836 -5.213 6.540 1.00 0.00 WT1 H
+ATOM 11934 OH2 TIP3W8578 -16.190 6.474 1.827 1.00 0.00 WT1 O
+ATOM 11935 H1 TIP3W8578 -15.872 6.113 0.990 1.00 0.00 WT1 H
+ATOM 11936 H2 TIP3W8578 -16.093 5.743 2.469 1.00 0.00 WT1 H
+ATOM 11937 OH2 TIP3W8579 -16.378 -1.659 3.569 1.00 0.00 WT1 O
+ATOM 11938 H1 TIP3W8579 -16.333 -0.765 3.172 1.00 0.00 WT1 H
+ATOM 11939 H2 TIP3W8579 -17.374 -1.884 3.781 1.00 0.00 WT1 H
+ATOM 11940 OH2 TIP3W8589 -13.774 14.643 -19.241 1.00 0.00 WT1 O
+ATOM 11941 H1 TIP3W8589 -14.376 15.251 -18.736 1.00 0.00 WT1 H
+ATOM 11942 H2 TIP3W8589 -12.931 14.687 -18.779 1.00 0.00 WT1 H
+ATOM 11943 OH2 TIP3W8599 21.851 11.314 17.759 1.00 0.00 WT1 O
+ATOM 11944 H1 TIP3W8599 21.784 11.971 17.081 1.00 0.00 WT1 H
+ATOM 11945 H2 TIP3W8599 21.042 11.482 18.306 1.00 0.00 WT1 H
+ATOM 11946 OH2 TIP3W8600 -17.218 -4.485 8.743 1.00 0.00 WT1 O
+ATOM 11947 H1 TIP3W8600 -18.109 -4.806 8.994 1.00 0.00 WT1 H
+ATOM 11948 H2 TIP3W8600 -17.202 -4.692 7.843 1.00 0.00 WT1 H
+ATOM 11949 OH2 TIP3W8607 -17.324 16.542 21.432 1.00 0.00 WT1 O
+ATOM 11950 H1 TIP3W8607 -17.127 16.175 22.254 1.00 0.00 WT1 H
+ATOM 11951 H2 TIP3W8607 -16.640 17.294 21.305 1.00 0.00 WT1 H
+ATOM 11952 OH2 TIP3W8613 -14.469 0.973 -20.926 1.00 0.00 WT1 O
+ATOM 11953 H1 TIP3W8613 -15.001 1.187 -20.202 1.00 0.00 WT1 H
+ATOM 11954 H2 TIP3W8613 -13.729 1.598 -20.721 1.00 0.00 WT1 H
+ATOM 11955 OH2 TIP3W8617 -14.450 5.120 -15.729 1.00 0.00 WT1 O
+ATOM 11956 H1 TIP3W8617 -14.733 5.635 -14.913 1.00 0.00 WT1 H
+ATOM 11957 H2 TIP3W8617 -13.933 4.400 -15.302 1.00 0.00 WT1 H
+ATOM 11958 OH2 TIP3W8621 17.012 -4.116 17.126 1.00 0.00 WT1 O
+ATOM 11959 H1 TIP3W8621 17.111 -4.229 18.093 1.00 0.00 WT1 H
+ATOM 11960 H2 TIP3W8621 17.358 -4.949 16.826 1.00 0.00 WT1 H
+ATOM 11961 OH2 TIP3W8622 -20.325 8.986 3.206 1.00 0.00 WT1 O
+ATOM 11962 H1 TIP3W8622 -19.881 9.245 3.988 1.00 0.00 WT1 H
+ATOM 11963 H2 TIP3W8622 -21.248 9.081 3.430 1.00 0.00 WT1 H
+ATOM 11964 OH2 TIP3W8624 -8.831 8.712 15.800 1.00 0.00 WT1 O
+ATOM 11965 H1 TIP3W8624 -8.123 8.829 15.198 1.00 0.00 WT1 H
+ATOM 11966 H2 TIP3W8624 -9.514 8.201 15.298 1.00 0.00 WT1 H
+ATOM 11967 OH2 TIP3W8628 -21.684 16.972 21.716 1.00 0.00 WT1 O
+ATOM 11968 H1 TIP3W8628 -21.451 16.014 21.781 1.00 0.00 WT1 H
+ATOM 11969 H2 TIP3W8628 -22.383 16.986 21.059 1.00 0.00 WT1 H
+ATOM 11970 OH2 TIP3W8642 -17.780 2.643 13.795 1.00 0.00 WT1 O
+ATOM 11971 H1 TIP3W8642 -17.454 1.754 13.371 1.00 0.00 WT1 H
+ATOM 11972 H2 TIP3W8642 -17.455 3.286 13.180 1.00 0.00 WT1 H
+ATOM 11973 OH2 TIP3W8645 -22.227 -2.606 3.764 1.00 0.00 WT1 O
+ATOM 11974 H1 TIP3W8645 -22.553 -3.224 4.453 1.00 0.00 WT1 H
+ATOM 11975 H2 TIP3W8645 -22.530 -1.698 3.934 1.00 0.00 WT1 H
+ATOM 11976 OH2 TIP3W8653 -21.158 6.620 -21.039 1.00 0.00 WT1 O
+ATOM 11977 H1 TIP3W8653 -21.093 7.193 -20.183 1.00 0.00 WT1 H
+ATOM 11978 H2 TIP3W8653 -21.048 5.779 -20.686 1.00 0.00 WT1 H
+ATOM 11979 OH2 TIP3W8658 -20.416 5.985 13.080 1.00 0.00 WT1 O
+ATOM 11980 H1 TIP3W8658 -21.003 5.481 12.468 1.00 0.00 WT1 H
+ATOM 11981 H2 TIP3W8658 -20.875 6.824 13.211 1.00 0.00 WT1 H
+ATOM 11982 OH2 TIP3W8662 -18.062 8.400 -3.329 1.00 0.00 WT1 O
+ATOM 11983 H1 TIP3W8662 -17.180 8.242 -3.056 1.00 0.00 WT1 H
+ATOM 11984 H2 TIP3W8662 -17.978 8.592 -4.289 1.00 0.00 WT1 H
+ATOM 11985 OH2 TIP3W8668 -16.056 8.865 3.771 1.00 0.00 WT1 O
+ATOM 11986 H1 TIP3W8668 -15.653 8.261 3.143 1.00 0.00 WT1 H
+ATOM 11987 H2 TIP3W8668 -16.712 9.231 3.164 1.00 0.00 WT1 H
+ATOM 11988 OH2 TIP3W8675 -17.283 9.850 -19.621 1.00 0.00 WT1 O
+ATOM 11989 H1 TIP3W8675 -18.153 9.912 -19.248 1.00 0.00 WT1 H
+ATOM 11990 H2 TIP3W8675 -17.454 9.454 -20.483 1.00 0.00 WT1 H
+ATOM 11991 OH2 TIP3W8677 -7.912 22.807 -18.597 1.00 0.00 WT1 O
+ATOM 11992 H1 TIP3W8677 -8.436 23.584 -18.360 1.00 0.00 WT1 H
+ATOM 11993 H2 TIP3W8677 -8.508 22.271 -19.177 1.00 0.00 WT1 H
+ATOM 11994 OH2 TIP3W8679 -20.373 5.528 -17.551 1.00 0.00 WT1 O
+ATOM 11995 H1 TIP3W8679 -20.431 6.114 -16.793 1.00 0.00 WT1 H
+ATOM 11996 H2 TIP3W8679 -20.513 6.151 -18.269 1.00 0.00 WT1 H
+ATOM 11997 OH2 TIP3W8680 -20.878 20.296 1.683 1.00 0.00 WT1 O
+ATOM 11998 H1 TIP3W8680 -21.650 19.716 1.355 1.00 0.00 WT1 H
+ATOM 11999 H2 TIP3W8680 -20.515 20.658 0.865 1.00 0.00 WT1 H
+ATOM 12000 OH2 TIP3W8683 -22.089 3.474 -1.536 1.00 0.00 WT1 O
+ATOM 12001 H1 TIP3W8683 -22.350 3.521 -2.416 1.00 0.00 WT1 H
+ATOM 12002 H2 TIP3W8683 -21.389 4.107 -1.549 1.00 0.00 WT1 H
+ATOM 12003 OH2 TIP3W8687 -20.956 -0.010 15.376 1.00 0.00 WT1 O
+ATOM 12004 H1 TIP3W8687 -20.723 0.659 14.727 1.00 0.00 WT1 H
+ATOM 12005 H2 TIP3W8687 -21.539 0.450 15.998 1.00 0.00 WT1 H
+ATOM 12006 OH2 TIP3W8689 20.976 19.074 14.907 1.00 0.00 WT1 O
+ATOM 12007 H1 TIP3W8689 20.587 19.906 15.034 1.00 0.00 WT1 H
+ATOM 12008 H2 TIP3W8689 20.248 18.429 15.031 1.00 0.00 WT1 H
+ATOM 12009 OH2 TIP3W8690 -21.958 12.531 19.355 1.00 0.00 WT1 O
+ATOM 12010 H1 TIP3W8690 -21.233 12.500 20.028 1.00 0.00 WT1 H
+ATOM 12011 H2 TIP3W8690 -22.057 13.482 19.124 1.00 0.00 WT1 H
+ATOM 12012 OH2 TIP3W8691 -20.283 15.127 -21.420 1.00 0.00 WT1 O
+ATOM 12013 H1 TIP3W8691 -19.343 15.119 -21.378 1.00 0.00 WT1 H
+ATOM 12014 H2 TIP3W8691 -20.490 15.502 -22.287 1.00 0.00 WT1 H
+ATOM 12015 OH2 TIP3W8695 -18.857 21.740 -17.732 1.00 0.00 WT1 O
+ATOM 12016 H1 TIP3W8695 -18.637 22.702 -17.784 1.00 0.00 WT1 H
+ATOM 12017 H2 TIP3W8695 -18.820 21.487 -18.715 1.00 0.00 WT1 H
+ATOM 12018 OH2 TIP3W8699 -19.229 18.462 -15.591 1.00 0.00 WT1 O
+ATOM 12019 H1 TIP3W8699 -19.164 19.390 -15.284 1.00 0.00 WT1 H
+ATOM 12020 H2 TIP3W8699 -20.049 18.149 -15.210 1.00 0.00 WT1 H
+ATOM 12021 OH2 TIP3W8705 17.920 18.918 3.826 1.00 0.00 WT1 O
+ATOM 12022 H1 TIP3W8705 17.054 19.234 3.978 1.00 0.00 WT1 H
+ATOM 12023 H2 TIP3W8705 17.757 18.319 3.044 1.00 0.00 WT1 H
+ATOM 12024 OH2 TIP3W8721 -21.603 10.169 -4.965 1.00 0.00 WT1 O
+ATOM 12025 H1 TIP3W8721 -21.430 11.057 -4.582 1.00 0.00 WT1 H
+ATOM 12026 H2 TIP3W8721 -21.642 9.524 -4.218 1.00 0.00 WT1 H
+ATOM 12027 OH2 TIP3W8722 -20.233 16.234 -10.565 1.00 0.00 WT1 O
+ATOM 12028 H1 TIP3W8722 -19.560 15.685 -10.923 1.00 0.00 WT1 H
+ATOM 12029 H2 TIP3W8722 -20.274 16.977 -11.176 1.00 0.00 WT1 H
+ATOM 12030 OH2 TIP3W8723 -21.218 25.166 2.049 1.00 0.00 WT1 O
+ATOM 12031 H1 TIP3W8723 -20.613 25.359 2.759 1.00 0.00 WT1 H
+ATOM 12032 H2 TIP3W8723 -20.605 25.229 1.281 1.00 0.00 WT1 H
+ATOM 12033 OH2 TIP3W8724 -6.181 27.565 1.675 1.00 0.00 WT1 O
+ATOM 12034 H1 TIP3W8724 -6.245 27.244 2.632 1.00 0.00 WT1 H
+ATOM 12035 H2 TIP3W8724 -6.581 28.434 1.623 1.00 0.00 WT1 H
+ATOM 12036 OH2 TIP3W8727 -9.902 23.572 11.950 1.00 0.00 WT1 O
+ATOM 12037 H1 TIP3W8727 -10.888 23.442 11.965 1.00 0.00 WT1 H
+ATOM 12038 H2 TIP3W8727 -9.737 24.489 12.081 1.00 0.00 WT1 H
+ATOM 12039 OH2 TIP3W8732 -18.102 16.675 4.713 1.00 0.00 WT1 O
+ATOM 12040 H1 TIP3W8732 -18.684 17.263 4.119 1.00 0.00 WT1 H
+ATOM 12041 H2 TIP3W8732 -17.216 16.838 4.289 1.00 0.00 WT1 H
+ATOM 12042 OH2 TIP3W8746 20.278 19.037 -12.668 1.00 0.00 WT1 O
+ATOM 12043 H1 TIP3W8746 19.342 18.977 -12.852 1.00 0.00 WT1 H
+ATOM 12044 H2 TIP3W8746 20.520 19.846 -13.174 1.00 0.00 WT1 H
+ATOM 12045 OH2 TIP3W8748 -20.546 10.649 8.260 1.00 0.00 WT1 O
+ATOM 12046 H1 TIP3W8748 -20.324 9.912 8.811 1.00 0.00 WT1 H
+ATOM 12047 H2 TIP3W8748 -19.803 10.847 7.771 1.00 0.00 WT1 H
+ATOM 12048 OH2 TIP3W8760 -9.129 -11.916 -16.649 1.00 0.00 WT1 O
+ATOM 12049 H1 TIP3W8760 -9.042 -12.694 -16.235 1.00 0.00 WT1 H
+ATOM 12050 H2 TIP3W8760 -9.387 -12.237 -17.593 1.00 0.00 WT1 H
+ATOM 12051 OH2 TIP3W8761 -10.614 20.252 -22.713 1.00 0.00 WT1 O
+ATOM 12052 H1 TIP3W8761 -10.821 20.948 -22.140 1.00 0.00 WT1 H
+ATOM 12053 H2 TIP3W8761 -11.188 19.526 -22.432 1.00 0.00 WT1 H
+ATOM 12054 OH2 TIP3W8769 -13.606 30.563 3.970 1.00 0.00 WT1 O
+ATOM 12055 H1 TIP3W8769 -14.428 30.029 3.784 1.00 0.00 WT1 H
+ATOM 12056 H2 TIP3W8769 -13.932 31.457 4.055 1.00 0.00 WT1 H
+ATOM 12057 OH2 TIP3W8774 -17.930 27.074 16.422 1.00 0.00 WT1 O
+ATOM 12058 H1 TIP3W8774 -18.583 27.728 16.692 1.00 0.00 WT1 H
+ATOM 12059 H2 TIP3W8774 -17.944 27.169 15.545 1.00 0.00 WT1 H
+ATOM 12060 OH2 TIP3W8780 -19.148 -24.308 -22.878 1.00 0.00 WT1 O
+ATOM 12061 H1 TIP3W8780 -20.039 -24.560 -22.617 1.00 0.00 WT1 H
+ATOM 12062 H2 TIP3W8780 -18.697 -24.632 -22.101 1.00 0.00 WT1 H
+ATOM 12063 OH2 TIP3W8784 -10.136 30.262 4.011 1.00 0.00 WT1 O
+ATOM 12064 H1 TIP3W8784 -11.085 30.173 4.241 1.00 0.00 WT1 H
+ATOM 12065 H2 TIP3W8784 -10.203 30.316 3.044 1.00 0.00 WT1 H
+ATOM 12066 OH2 TIP3W8791 -20.159 28.859 13.163 1.00 0.00 WT1 O
+ATOM 12067 H1 TIP3W8791 -20.344 28.027 12.740 1.00 0.00 WT1 H
+ATOM 12068 H2 TIP3W8791 -20.412 29.544 12.474 1.00 0.00 WT1 H
+ATOM 12069 OH2 TIP3W8794 -16.084 -23.848 17.683 1.00 0.00 WT1 O
+ATOM 12070 H1 TIP3W8794 -17.006 -24.248 17.658 1.00 0.00 WT1 H
+ATOM 12071 H2 TIP3W8794 -16.258 -22.914 17.823 1.00 0.00 WT1 H
+ATOM 12072 OH2 TIP3W8796 -0.493 20.704 17.073 1.00 0.00 WT1 O
+ATOM 12073 H1 TIP3W8796 -0.936 21.123 16.262 1.00 0.00 WT1 H
+ATOM 12074 H2 TIP3W8796 -1.195 20.225 17.485 1.00 0.00 WT1 H
+ATOM 12075 OH2 TIP3W8800 -22.472 21.779 -13.349 1.00 0.00 WT1 O
+ATOM 12076 H1 TIP3W8800 -22.558 22.646 -12.970 1.00 0.00 WT1 H
+ATOM 12077 H2 TIP3W8800 -22.475 21.989 -14.313 1.00 0.00 WT1 H
+ATOM 12078 OH2 TIP3W8801 -13.570 -16.717 -13.709 1.00 0.00 WT1 O
+ATOM 12079 H1 TIP3W8801 -13.428 -17.638 -13.493 1.00 0.00 WT1 H
+ATOM 12080 H2 TIP3W8801 -14.049 -16.853 -14.542 1.00 0.00 WT1 H
+ATOM 12081 OH2 TIP3W8809 -21.115 12.847 -3.923 1.00 0.00 WT1 O
+ATOM 12082 H1 TIP3W8809 -20.510 13.581 -3.861 1.00 0.00 WT1 H
+ATOM 12083 H2 TIP3W8809 -21.884 13.312 -3.829 1.00 0.00 WT1 H
+ATOM 12084 OH2 TIP3W8813 -17.992 -20.264 13.795 1.00 0.00 WT1 O
+ATOM 12085 H1 TIP3W8813 -18.378 -20.308 14.734 1.00 0.00 WT1 H
+ATOM 12086 H2 TIP3W8813 -18.824 -20.317 13.275 1.00 0.00 WT1 H
+ATOM 12087 OH2 TIP3W8814 19.304 25.044 17.739 1.00 0.00 WT1 O
+ATOM 12088 H1 TIP3W8814 19.313 24.632 16.830 1.00 0.00 WT1 H
+ATOM 12089 H2 TIP3W8814 18.897 24.309 18.184 1.00 0.00 WT1 H
+ATOM 12090 OH2 TIP3W8822 -21.024 -25.871 -10.955 1.00 0.00 WT1 O
+ATOM 12091 H1 TIP3W8822 -21.626 -25.157 -11.145 1.00 0.00 WT1 H
+ATOM 12092 H2 TIP3W8822 -21.389 -26.580 -11.641 1.00 0.00 WT1 H
+ATOM 12093 OH2 TIP3W8826 -5.017 25.619 14.718 1.00 0.00 WT1 O
+ATOM 12094 H1 TIP3W8826 -4.356 26.017 15.330 1.00 0.00 WT1 H
+ATOM 12095 H2 TIP3W8826 -5.452 26.400 14.280 1.00 0.00 WT1 H
+ATOM 12096 OH2 TIP3W8829 -21.272 -23.022 -16.021 1.00 0.00 WT1 O
+ATOM 12097 H1 TIP3W8829 -21.253 -23.701 -16.750 1.00 0.00 WT1 H
+ATOM 12098 H2 TIP3W8829 -20.530 -22.454 -16.214 1.00 0.00 WT1 H
+ATOM 12099 OH2 TIP3W8833 -20.323 -30.067 7.339 1.00 0.00 WT1 O
+ATOM 12100 H1 TIP3W8833 -20.592 -30.656 8.039 1.00 0.00 WT1 H
+ATOM 12101 H2 TIP3W8833 -21.177 -29.525 7.235 1.00 0.00 WT1 H
+ATOM 12102 OH2 TIP3W8836 -18.052 -27.332 18.347 1.00 0.00 WT1 O
+ATOM 12103 H1 TIP3W8836 -17.062 -27.587 18.484 1.00 0.00 WT1 H
+ATOM 12104 H2 TIP3W8836 -18.225 -27.562 17.376 1.00 0.00 WT1 H
+ATOM 12105 OH2 TIP3W8843 -15.014 -31.987 -19.716 1.00 0.00 WT1 O
+ATOM 12106 H1 TIP3W8843 -14.950 -32.068 -20.691 1.00 0.00 WT1 H
+ATOM 12107 H2 TIP3W8843 -15.958 -32.173 -19.664 1.00 0.00 WT1 H
+ATOM 12108 OH2 TIP3W8845 -21.453 -25.327 -18.116 1.00 0.00 WT1 O
+ATOM 12109 H1 TIP3W8845 -21.385 -25.305 -19.057 1.00 0.00 WT1 H
+ATOM 12110 H2 TIP3W8845 -22.228 -25.858 -17.892 1.00 0.00 WT1 H
+ATOM 12111 OH2 TIP3W8848 -12.002 -29.196 3.924 1.00 0.00 WT1 O
+ATOM 12112 H1 TIP3W8848 -11.406 -28.415 3.720 1.00 0.00 WT1 H
+ATOM 12113 H2 TIP3W8848 -12.602 -29.149 3.162 1.00 0.00 WT1 H
+ATOM 12114 OH2 TIP3W8851 -17.695 20.209 0.443 1.00 0.00 WT1 O
+ATOM 12115 H1 TIP3W8851 -18.026 19.635 -0.254 1.00 0.00 WT1 H
+ATOM 12116 H2 TIP3W8851 -18.350 20.869 0.446 1.00 0.00 WT1 H
+ATOM 12117 OH2 TIP3W8852 -9.340 -22.952 2.203 1.00 0.00 WT1 O
+ATOM 12118 H1 TIP3W8852 -8.589 -22.519 2.635 1.00 0.00 WT1 H
+ATOM 12119 H2 TIP3W8852 -9.000 -23.433 1.465 1.00 0.00 WT1 H
+ATOM 12120 OH2 TIP3W8865 -11.071 -10.065 -18.367 1.00 0.00 WT1 O
+ATOM 12121 H1 TIP3W8865 -11.711 -10.496 -19.009 1.00 0.00 WT1 H
+ATOM 12122 H2 TIP3W8865 -11.381 -10.488 -17.500 1.00 0.00 WT1 H
+ATOM 12123 OH2 TIP3W8869 -17.307 -26.652 -11.737 1.00 0.00 WT1 O
+ATOM 12124 H1 TIP3W8869 -18.082 -27.074 -12.227 1.00 0.00 WT1 H
+ATOM 12125 H2 TIP3W8869 -17.022 -27.421 -11.175 1.00 0.00 WT1 H
+ATOM 12126 OH2 TIP3W8870 -21.678 -19.994 2.731 1.00 0.00 WT1 O
+ATOM 12127 H1 TIP3W8870 -21.732 -19.106 2.421 1.00 0.00 WT1 H
+ATOM 12128 H2 TIP3W8870 -22.568 -20.345 2.587 1.00 0.00 WT1 H
+ATOM 12129 OH2 TIP3W8872 -20.261 30.018 10.255 1.00 0.00 WT1 O
+ATOM 12130 H1 TIP3W8872 -19.461 29.850 9.816 1.00 0.00 WT1 H
+ATOM 12131 H2 TIP3W8872 -20.902 29.580 9.667 1.00 0.00 WT1 H
+ATOM 12132 OH2 TIP3W8877 -20.811 28.290 16.719 1.00 0.00 WT1 O
+ATOM 12133 H1 TIP3W8877 -20.802 28.713 15.806 1.00 0.00 WT1 H
+ATOM 12134 H2 TIP3W8877 -20.785 29.071 17.383 1.00 0.00 WT1 H
+ATOM 12135 OH2 TIP3W8886 6.473 -15.609 -17.749 1.00 0.00 WT1 O
+ATOM 12136 H1 TIP3W8886 6.101 -15.152 -16.955 1.00 0.00 WT1 H
+ATOM 12137 H2 TIP3W8886 6.761 -14.879 -18.324 1.00 0.00 WT1 H
+ATOM 12138 OH2 TIP3W8887 -13.696 -11.366 -7.124 1.00 0.00 WT1 O
+ATOM 12139 H1 TIP3W8887 -13.888 -10.835 -7.894 1.00 0.00 WT1 H
+ATOM 12140 H2 TIP3W8887 -12.786 -11.067 -6.950 1.00 0.00 WT1 H
+ATOM 12141 OH2 TIP3W8890 -22.369 26.347 -6.378 1.00 0.00 WT1 O
+ATOM 12142 H1 TIP3W8890 -22.056 25.450 -6.249 1.00 0.00 WT1 H
+ATOM 12143 H2 TIP3W8890 -22.420 26.489 -7.325 1.00 0.00 WT1 H
+ATOM 12144 OH2 TIP3W8893 -21.919 -2.986 20.587 1.00 0.00 WT1 O
+ATOM 12145 H1 TIP3W8893 -21.757 -2.662 19.661 1.00 0.00 WT1 H
+ATOM 12146 H2 TIP3W8893 -22.333 -3.843 20.399 1.00 0.00 WT1 H
+ATOM 12147 OH2 TIP3W8894 -21.036 -13.103 16.660 1.00 0.00 WT1 O
+ATOM 12148 H1 TIP3W8894 -21.282 -12.691 15.865 1.00 0.00 WT1 H
+ATOM 12149 H2 TIP3W8894 -20.244 -12.654 16.897 1.00 0.00 WT1 H
+ATOM 12150 OH2 TIP3W8895 -16.586 -21.124 -0.870 1.00 0.00 WT1 O
+ATOM 12151 H1 TIP3W8895 -16.720 -20.350 -0.255 1.00 0.00 WT1 H
+ATOM 12152 H2 TIP3W8895 -16.723 -20.773 -1.742 1.00 0.00 WT1 H
+ATOM 12153 OH2 TIP3W8896 -13.611 -19.570 19.222 1.00 0.00 WT1 O
+ATOM 12154 H1 TIP3W8896 -12.819 -19.691 18.734 1.00 0.00 WT1 H
+ATOM 12155 H2 TIP3W8896 -13.695 -20.452 19.698 1.00 0.00 WT1 H
+ATOM 12156 OH2 TIP3W8898 -13.217 -18.500 14.663 1.00 0.00 WT1 O
+ATOM 12157 H1 TIP3W8898 -12.539 -18.895 15.184 1.00 0.00 WT1 H
+ATOM 12158 H2 TIP3W8898 -13.972 -18.363 15.315 1.00 0.00 WT1 H
+ATOM 12159 OH2 TIP3W8903 -6.258 -31.256 -17.409 1.00 0.00 WT1 O
+ATOM 12160 H1 TIP3W8903 -5.494 -31.868 -17.316 1.00 0.00 WT1 H
+ATOM 12161 H2 TIP3W8903 -6.990 -31.772 -17.045 1.00 0.00 WT1 H
+ATOM 12162 OH2 TIP3W8905 -14.752 -17.999 -15.667 1.00 0.00 WT1 O
+ATOM 12163 H1 TIP3W8905 -15.481 -17.690 -16.201 1.00 0.00 WT1 H
+ATOM 12164 H2 TIP3W8905 -14.392 -18.693 -16.268 1.00 0.00 WT1 H
+ATOM 12165 OH2 TIP3W8906 -12.675 28.537 -21.931 1.00 0.00 WT1 O
+ATOM 12166 H1 TIP3W8906 -12.650 29.522 -21.975 1.00 0.00 WT1 H
+ATOM 12167 H2 TIP3W8906 -12.038 28.291 -21.227 1.00 0.00 WT1 H
+ATOM 12168 OH2 TIP3W8908 -13.241 -0.447 -17.290 1.00 0.00 WT1 O
+ATOM 12169 H1 TIP3W8908 -13.098 -0.841 -16.361 1.00 0.00 WT1 H
+ATOM 12170 H2 TIP3W8908 -13.687 0.421 -17.154 1.00 0.00 WT1 H
+ATOM 12171 OH2 TIP3W8918 -14.330 -13.287 10.626 1.00 0.00 WT1 O
+ATOM 12172 H1 TIP3W8918 -13.563 -13.728 10.289 1.00 0.00 WT1 H
+ATOM 12173 H2 TIP3W8918 -14.201 -12.381 10.406 1.00 0.00 WT1 H
+ATOM 12174 OH2 TIP3W8919 19.389 -21.125 22.606 1.00 0.00 WT1 O
+ATOM 12175 H1 TIP3W8919 20.271 -21.538 22.463 1.00 0.00 WT1 H
+ATOM 12176 H2 TIP3W8919 18.852 -21.542 21.925 1.00 0.00 WT1 H
+ATOM 12177 OH2 TIP3W8926 -12.367 -6.422 -18.027 1.00 0.00 WT1 O
+ATOM 12178 H1 TIP3W8926 -11.895 -7.125 -18.415 1.00 0.00 WT1 H
+ATOM 12179 H2 TIP3W8926 -12.237 -6.649 -17.063 1.00 0.00 WT1 H
+ATOM 12180 OH2 TIP3W8927 -17.937 -4.593 -14.872 1.00 0.00 WT1 O
+ATOM 12181 H1 TIP3W8927 -17.317 -3.872 -15.187 1.00 0.00 WT1 H
+ATOM 12182 H2 TIP3W8927 -18.814 -4.352 -15.234 1.00 0.00 WT1 H
+ATOM 12183 OH2 TIP3W8928 -16.944 -18.966 4.036 1.00 0.00 WT1 O
+ATOM 12184 H1 TIP3W8928 -16.757 -18.022 4.191 1.00 0.00 WT1 H
+ATOM 12185 H2 TIP3W8928 -16.427 -19.498 4.685 1.00 0.00 WT1 H
+ATOM 12186 OH2 TIP3W8931 -16.919 -20.595 -3.652 1.00 0.00 WT1 O
+ATOM 12187 H1 TIP3W8931 -16.939 -19.664 -3.697 1.00 0.00 WT1 H
+ATOM 12188 H2 TIP3W8931 -16.697 -20.778 -4.576 1.00 0.00 WT1 H
+ATOM 12189 OH2 TIP3W8932 -9.589 -13.831 -7.987 1.00 0.00 WT1 O
+ATOM 12190 H1 TIP3W8932 -9.969 -13.214 -8.701 1.00 0.00 WT1 H
+ATOM 12191 H2 TIP3W8932 -9.004 -13.244 -7.457 1.00 0.00 WT1 H
+ATOM 12192 OH2 TIP3W8935 -21.911 -20.833 -12.242 1.00 0.00 WT1 O
+ATOM 12193 H1 TIP3W8935 -20.989 -20.861 -12.620 1.00 0.00 WT1 H
+ATOM 12194 H2 TIP3W8935 -22.321 -20.257 -12.855 1.00 0.00 WT1 H
+ATOM 12195 OH2 TIP3W8936 -14.892 -11.531 22.446 1.00 0.00 WT1 O
+ATOM 12196 H1 TIP3W8936 -15.792 -11.664 22.103 1.00 0.00 WT1 H
+ATOM 12197 H2 TIP3W8936 -15.011 -10.877 23.158 1.00 0.00 WT1 H
+ATOM 12198 OH2 TIP3W8937 -21.452 -4.821 16.913 1.00 0.00 WT1 O
+ATOM 12199 H1 TIP3W8937 -21.024 -5.503 17.511 1.00 0.00 WT1 H
+ATOM 12200 H2 TIP3W8937 -22.329 -5.184 16.644 1.00 0.00 WT1 H
+ATOM 12201 OH2 TIP3W8938 -22.193 -13.513 21.430 1.00 0.00 WT1 O
+ATOM 12202 H1 TIP3W8938 -22.309 -14.423 21.780 1.00 0.00 WT1 H
+ATOM 12203 H2 TIP3W8938 -21.435 -13.094 21.864 1.00 0.00 WT1 H
+ATOM 12204 OH2 TIP3W8939 -20.606 -16.115 8.843 1.00 0.00 WT1 O
+ATOM 12205 H1 TIP3W8939 -20.142 -16.658 9.509 1.00 0.00 WT1 H
+ATOM 12206 H2 TIP3W8939 -21.091 -15.409 9.370 1.00 0.00 WT1 H
+ATOM 12207 OH2 TIP3W8940 -16.796 -23.175 10.188 1.00 0.00 WT1 O
+ATOM 12208 H1 TIP3W8940 -17.599 -23.775 10.366 1.00 0.00 WT1 H
+ATOM 12209 H2 TIP3W8940 -16.000 -23.608 10.523 1.00 0.00 WT1 H
+ATOM 12210 OH2 TIP3W8949 -13.804 -15.220 -20.832 1.00 0.00 WT1 O
+ATOM 12211 H1 TIP3W8949 -14.582 -15.621 -20.397 1.00 0.00 WT1 H
+ATOM 12212 H2 TIP3W8949 -13.446 -15.985 -21.224 1.00 0.00 WT1 H
+ATOM 12213 OH2 TIP3W8952 -14.993 -22.911 0.422 1.00 0.00 WT1 O
+ATOM 12214 H1 TIP3W8952 -14.490 -22.234 0.919 1.00 0.00 WT1 H
+ATOM 12215 H2 TIP3W8952 -15.618 -22.358 -0.126 1.00 0.00 WT1 H
+ATOM 12216 OH2 TIP3W8954 -16.196 -2.741 -16.023 1.00 0.00 WT1 O
+ATOM 12217 H1 TIP3W8954 -15.797 -2.657 -16.903 1.00 0.00 WT1 H
+ATOM 12218 H2 TIP3W8954 -16.673 -1.935 -15.952 1.00 0.00 WT1 H
+ATOM 12219 OH2 TIP3W8956 -20.473 -25.891 -1.301 1.00 0.00 WT1 O
+ATOM 12220 H1 TIP3W8956 -20.416 -26.831 -1.034 1.00 0.00 WT1 H
+ATOM 12221 H2 TIP3W8956 -20.140 -25.458 -0.487 1.00 0.00 WT1 H
+ATOM 12222 OH2 TIP3W8960 -19.841 -21.161 15.969 1.00 0.00 WT1 O
+ATOM 12223 H1 TIP3W8960 -20.284 -21.770 15.429 1.00 0.00 WT1 H
+ATOM 12224 H2 TIP3W8960 -20.454 -20.991 16.666 1.00 0.00 WT1 H
+ATOM 12225 OH2 TIP3W8961 -10.697 -24.237 11.905 1.00 0.00 WT1 O
+ATOM 12226 H1 TIP3W8961 -9.896 -23.806 11.610 1.00 0.00 WT1 H
+ATOM 12227 H2 TIP3W8961 -11.355 -23.839 11.270 1.00 0.00 WT1 H
+ATOM 12228 OH2 TIP3W8972 -18.786 -1.253 -5.399 1.00 0.00 WT1 O
+ATOM 12229 H1 TIP3W8972 -19.010 -1.031 -6.362 1.00 0.00 WT1 H
+ATOM 12230 H2 TIP3W8972 -18.760 -2.223 -5.371 1.00 0.00 WT1 H
+ATOM 12231 OH2 TIP3W8973 -18.925 -7.093 -17.524 1.00 0.00 WT1 O
+ATOM 12232 H1 TIP3W8973 -18.414 -7.536 -18.198 1.00 0.00 WT1 H
+ATOM 12233 H2 TIP3W8973 -18.538 -7.354 -16.725 1.00 0.00 WT1 H
+ATOM 12234 OH2 TIP3W8976 -13.654 -5.020 -15.185 1.00 0.00 WT1 O
+ATOM 12235 H1 TIP3W8976 -14.377 -5.388 -14.583 1.00 0.00 WT1 H
+ATOM 12236 H2 TIP3W8976 -12.824 -5.512 -14.980 1.00 0.00 WT1 H
+ATOM 12237 OH2 TIP3W8977 -20.003 -16.284 -11.148 1.00 0.00 WT1 O
+ATOM 12238 H1 TIP3W8977 -19.095 -15.899 -11.135 1.00 0.00 WT1 H
+ATOM 12239 H2 TIP3W8977 -20.274 -16.095 -10.307 1.00 0.00 WT1 H
+ATOM 12240 OH2 TIP3W8978 21.094 -10.278 -3.579 1.00 0.00 WT1 O
+ATOM 12241 H1 TIP3W8978 20.555 -9.543 -3.865 1.00 0.00 WT1 H
+ATOM 12242 H2 TIP3W8978 20.701 -10.987 -4.198 1.00 0.00 WT1 H
+ATOM 12243 OH2 TIP3W8988 -20.340 -11.524 -18.199 1.00 0.00 WT1 O
+ATOM 12244 H1 TIP3W8988 -20.975 -12.310 -18.309 1.00 0.00 WT1 H
+ATOM 12245 H2 TIP3W8988 -19.507 -11.934 -17.999 1.00 0.00 WT1 H
+ATOM 12246 OH2 TIP3W8994 -11.452 1.058 4.454 1.00 0.00 WT1 O
+ATOM 12247 H1 TIP3W8994 -12.249 1.482 4.852 1.00 0.00 WT1 H
+ATOM 12248 H2 TIP3W8994 -11.866 0.325 3.969 1.00 0.00 WT1 H
+ATOM 12249 OH2 TIP3W9001 -6.673 -8.065 11.992 1.00 0.00 WT1 O
+ATOM 12250 H1 TIP3W9001 -6.279 -8.893 11.878 1.00 0.00 WT1 H
+ATOM 12251 H2 TIP3W9001 -7.593 -8.206 12.129 1.00 0.00 WT1 H
+ATOM 12252 OH2 TIP3W9013 -16.267 -0.783 -13.088 1.00 0.00 WT1 O
+ATOM 12253 H1 TIP3W9013 -15.499 -0.530 -13.653 1.00 0.00 WT1 H
+ATOM 12254 H2 TIP3W9013 -16.822 0.014 -13.233 1.00 0.00 WT1 H
+ATOM 12255 OH2 TIP3W9015 -2.593 -1.868 -11.660 1.00 0.00 WT1 O
+ATOM 12256 H1 TIP3W9015 -1.956 -1.156 -11.612 1.00 0.00 WT1 H
+ATOM 12257 H2 TIP3W9015 -2.535 -2.204 -10.730 1.00 0.00 WT1 H
+ATOM 12258 OH2 TIP3W9017 -21.537 -12.530 7.969 1.00 0.00 WT1 O
+ATOM 12259 H1 TIP3W9017 -21.724 -12.757 8.883 1.00 0.00 WT1 H
+ATOM 12260 H2 TIP3W9017 -22.166 -13.089 7.447 1.00 0.00 WT1 H
+ATOM 12261 OH2 TIP3W9034 -6.832 1.238 -12.049 1.00 0.00 WT1 O
+ATOM 12262 H1 TIP3W9034 -7.110 0.889 -12.890 1.00 0.00 WT1 H
+ATOM 12263 H2 TIP3W9034 -5.869 1.149 -12.156 1.00 0.00 WT1 H
+ATOM 12264 OH2 TIP3W9035 -20.039 3.440 -12.067 1.00 0.00 WT1 O
+ATOM 12265 H1 TIP3W9035 -19.464 2.829 -12.572 1.00 0.00 WT1 H
+ATOM 12266 H2 TIP3W9035 -20.852 2.915 -11.975 1.00 0.00 WT1 H
+ATOM 12267 OH2 TIP3W9037 -13.239 2.762 6.195 1.00 0.00 WT1 O
+ATOM 12268 H1 TIP3W9037 -13.237 2.103 6.887 1.00 0.00 WT1 H
+ATOM 12269 H2 TIP3W9037 -13.452 3.606 6.688 1.00 0.00 WT1 H
+ATOM 12270 OH2 TIP3W9039 18.965 -21.602 -10.483 1.00 0.00 WT1 O
+ATOM 12271 H1 TIP3W9039 18.615 -20.946 -9.810 1.00 0.00 WT1 H
+ATOM 12272 H2 TIP3W9039 19.608 -22.071 -9.965 1.00 0.00 WT1 H
+ATOM 12273 OH2 TIP3W9044 -6.714 13.201 5.780 1.00 0.00 WT1 O
+ATOM 12274 H1 TIP3W9044 -7.430 12.639 5.633 1.00 0.00 WT1 H
+ATOM 12275 H2 TIP3W9044 -6.798 13.417 6.702 1.00 0.00 WT1 H
+ATOM 12276 OH2 TIP3W9047 -17.870 -4.018 -22.236 1.00 0.00 WT1 O
+ATOM 12277 H1 TIP3W9047 -18.587 -3.669 -21.704 1.00 0.00 WT1 H
+ATOM 12278 H2 TIP3W9047 -18.019 -4.996 -22.185 1.00 0.00 WT1 H
+ATOM 12279 OH2 TIP3W9054 -14.830 -2.280 -9.342 1.00 0.00 WT1 O
+ATOM 12280 H1 TIP3W9054 -14.265 -1.626 -9.905 1.00 0.00 WT1 H
+ATOM 12281 H2 TIP3W9054 -15.722 -2.002 -9.631 1.00 0.00 WT1 H
+ATOM 12282 OH2 TIP3W9055 -19.581 -2.610 -20.167 1.00 0.00 WT1 O
+ATOM 12283 H1 TIP3W9055 -19.756 -3.419 -19.698 1.00 0.00 WT1 H
+ATOM 12284 H2 TIP3W9055 -18.807 -2.217 -19.781 1.00 0.00 WT1 H
+ATOM 12285 OH2 TIP3W9056 -13.132 5.156 1.898 1.00 0.00 WT1 O
+ATOM 12286 H1 TIP3W9056 -13.238 4.191 1.795 1.00 0.00 WT1 H
+ATOM 12287 H2 TIP3W9056 -12.603 5.200 2.737 1.00 0.00 WT1 H
+ATOM 12288 OH2 TIP3W9057 -9.996 -11.790 5.338 1.00 0.00 WT1 O
+ATOM 12289 H1 TIP3W9057 -10.208 -11.913 6.317 1.00 0.00 WT1 H
+ATOM 12290 H2 TIP3W9057 -10.799 -12.134 4.904 1.00 0.00 WT1 H
+ATOM 12291 OH2 TIP3W9058 -17.087 8.216 -5.898 1.00 0.00 WT1 O
+ATOM 12292 H1 TIP3W9058 -16.923 9.210 -6.194 1.00 0.00 WT1 H
+ATOM 12293 H2 TIP3W9058 -16.248 8.051 -5.498 1.00 0.00 WT1 H
+ATOM 12294 OH2 TIP3W9073 -21.666 18.037 -14.272 1.00 0.00 WT1 O
+ATOM 12295 H1 TIP3W9073 -22.356 17.368 -14.434 1.00 0.00 WT1 H
+ATOM 12296 H2 TIP3W9073 -21.974 18.833 -14.698 1.00 0.00 WT1 H
+ATOM 12297 OH2 TIP3W9079 -16.547 11.803 -16.704 1.00 0.00 WT1 O
+ATOM 12298 H1 TIP3W9079 -15.885 11.743 -17.456 1.00 0.00 WT1 H
+ATOM 12299 H2 TIP3W9079 -16.570 10.873 -16.361 1.00 0.00 WT1 H
+ATOM 12300 OH2 TIP3W9080 -8.385 23.140 -1.604 1.00 0.00 WT1 O
+ATOM 12301 H1 TIP3W9080 -8.635 22.530 -0.892 1.00 0.00 WT1 H
+ATOM 12302 H2 TIP3W9080 -8.426 22.562 -2.374 1.00 0.00 WT1 H
+ATOM 12303 OH2 TIP3W9082 -14.430 -14.843 -11.674 1.00 0.00 WT1 O
+ATOM 12304 H1 TIP3W9082 -14.231 -14.062 -12.273 1.00 0.00 WT1 H
+ATOM 12305 H2 TIP3W9082 -14.252 -15.587 -12.320 1.00 0.00 WT1 H
+ATOM 12306 OH2 TIP3W9084 -13.838 -3.239 11.427 1.00 0.00 WT1 O
+ATOM 12307 H1 TIP3W9084 -14.131 -2.777 10.681 1.00 0.00 WT1 H
+ATOM 12308 H2 TIP3W9084 -14.589 -3.815 11.603 1.00 0.00 WT1 H
+ATOM 12309 OH2 TIP3W9085 -19.287 11.365 1.785 1.00 0.00 WT1 O
+ATOM 12310 H1 TIP3W9085 -18.922 11.742 2.592 1.00 0.00 WT1 H
+ATOM 12311 H2 TIP3W9085 -19.857 10.646 2.148 1.00 0.00 WT1 H
+ATOM 12312 OH2 TIP3W9093 -12.594 3.422 -19.897 1.00 0.00 WT1 O
+ATOM 12313 H1 TIP3W9093 -12.599 3.686 -20.856 1.00 0.00 WT1 H
+ATOM 12314 H2 TIP3W9093 -11.656 3.591 -19.714 1.00 0.00 WT1 H
+ATOM 12315 OH2 TIP3W9096 -19.671 -18.210 -19.801 1.00 0.00 WT1 O
+ATOM 12316 H1 TIP3W9096 -20.431 -17.993 -19.278 1.00 0.00 WT1 H
+ATOM 12317 H2 TIP3W9096 -19.867 -19.074 -20.183 1.00 0.00 WT1 H
+ATOM 12318 OH2 TIP3W9097 -19.389 13.716 -13.336 1.00 0.00 WT1 O
+ATOM 12319 H1 TIP3W9097 -20.274 13.943 -13.721 1.00 0.00 WT1 H
+ATOM 12320 H2 TIP3W9097 -19.321 12.784 -13.421 1.00 0.00 WT1 H
+ATOM 12321 OH2 TIP3W9102 -20.230 8.875 11.332 1.00 0.00 WT1 O
+ATOM 12322 H1 TIP3W9102 -19.506 8.211 11.245 1.00 0.00 WT1 H
+ATOM 12323 H2 TIP3W9102 -19.734 9.671 11.448 1.00 0.00 WT1 H
+ATOM 12324 OH2 TIP3W9105 -16.117 11.578 9.740 1.00 0.00 WT1 O
+ATOM 12325 H1 TIP3W9105 -15.420 10.886 9.556 1.00 0.00 WT1 H
+ATOM 12326 H2 TIP3W9105 -16.589 11.246 10.483 1.00 0.00 WT1 H
+ATOM 12327 OH2 TIP3W9106 -14.200 17.357 19.267 1.00 0.00 WT1 O
+ATOM 12328 H1 TIP3W9106 -14.307 17.656 20.147 1.00 0.00 WT1 H
+ATOM 12329 H2 TIP3W9106 -13.951 16.436 19.412 1.00 0.00 WT1 H
+ATOM 12330 OH2 TIP3W9108 -8.019 17.696 22.481 1.00 0.00 WT1 O
+ATOM 12331 H1 TIP3W9108 -8.859 17.656 21.996 1.00 0.00 WT1 H
+ATOM 12332 H2 TIP3W9108 -8.205 18.392 23.198 1.00 0.00 WT1 H
+ATOM 12333 OH2 TIP3W9116 -22.241 14.560 -12.003 1.00 0.00 WT1 O
+ATOM 12334 H1 TIP3W9116 -22.106 13.748 -11.447 1.00 0.00 WT1 H
+ATOM 12335 H2 TIP3W9116 -21.644 15.220 -11.622 1.00 0.00 WT1 H
+ATOM 12336 OH2 TIP3W9124 -21.226 21.049 -4.410 1.00 0.00 WT1 O
+ATOM 12337 H1 TIP3W9124 -21.665 20.336 -3.938 1.00 0.00 WT1 H
+ATOM 12338 H2 TIP3W9124 -21.198 20.679 -5.295 1.00 0.00 WT1 H
+ATOM 12339 OH2 TIP3W9125 -19.918 21.587 -0.459 1.00 0.00 WT1 O
+ATOM 12340 H1 TIP3W9125 -20.086 22.529 -0.648 1.00 0.00 WT1 H
+ATOM 12341 H2 TIP3W9125 -20.785 21.241 -0.745 1.00 0.00 WT1 H
+ATOM 12342 OH2 TIP3W9127 -7.832 5.975 5.359 1.00 0.00 WT1 O
+ATOM 12343 H1 TIP3W9127 -8.147 6.704 4.790 1.00 0.00 WT1 H
+ATOM 12344 H2 TIP3W9127 -8.500 6.041 6.068 1.00 0.00 WT1 H
+ATOM 12345 OH2 TIP3W9128 -14.794 10.098 19.437 1.00 0.00 WT1 O
+ATOM 12346 H1 TIP3W9128 -15.336 9.460 19.974 1.00 0.00 WT1 H
+ATOM 12347 H2 TIP3W9128 -13.939 9.607 19.371 1.00 0.00 WT1 H
+ATOM 12348 OH2 TIP3W9129 -15.875 -4.821 21.016 1.00 0.00 WT1 O
+ATOM 12349 H1 TIP3W9129 -16.417 -5.100 21.835 1.00 0.00 WT1 H
+ATOM 12350 H2 TIP3W9129 -16.515 -4.457 20.429 1.00 0.00 WT1 H
+ATOM 12351 OH2 TIP3W9134 -14.295 -0.346 22.809 1.00 0.00 WT1 O
+ATOM 12352 H1 TIP3W9134 -15.147 -0.328 22.277 1.00 0.00 WT1 H
+ATOM 12353 H2 TIP3W9134 -13.942 -1.278 22.572 1.00 0.00 WT1 H
+ATOM 12354 OH2 TIP3W9136 -14.383 15.154 -11.743 1.00 0.00 WT1 O
+ATOM 12355 H1 TIP3W9136 -14.498 15.030 -10.819 1.00 0.00 WT1 H
+ATOM 12356 H2 TIP3W9136 -13.585 15.716 -11.804 1.00 0.00 WT1 H
+ATOM 12357 OH2 TIP3W9142 -15.888 18.464 9.471 1.00 0.00 WT1 O
+ATOM 12358 H1 TIP3W9142 -16.259 17.959 8.691 1.00 0.00 WT1 H
+ATOM 12359 H2 TIP3W9142 -14.899 18.257 9.315 1.00 0.00 WT1 H
+ATOM 12360 OH2 TIP3W9144 -20.917 8.024 -3.315 1.00 0.00 WT1 O
+ATOM 12361 H1 TIP3W9144 -19.939 8.263 -3.405 1.00 0.00 WT1 H
+ATOM 12362 H2 TIP3W9144 -21.003 7.251 -2.713 1.00 0.00 WT1 H
+ATOM 12363 OH2 TIP3W9157 -17.332 19.650 -17.162 1.00 0.00 WT1 O
+ATOM 12364 H1 TIP3W9157 -18.073 19.274 -16.669 1.00 0.00 WT1 H
+ATOM 12365 H2 TIP3W9157 -17.517 20.606 -17.260 1.00 0.00 WT1 H
+ATOM 12366 OH2 TIP3W9158 -20.130 24.886 -10.955 1.00 0.00 WT1 O
+ATOM 12367 H1 TIP3W9158 -20.200 25.547 -11.677 1.00 0.00 WT1 H
+ATOM 12368 H2 TIP3W9158 -19.726 24.063 -11.302 1.00 0.00 WT1 H
+ATOM 12369 OH2 TIP3W9161 -16.421 14.614 -17.897 1.00 0.00 WT1 O
+ATOM 12370 H1 TIP3W9161 -16.209 14.287 -17.060 1.00 0.00 WT1 H
+ATOM 12371 H2 TIP3W9161 -16.241 13.825 -18.402 1.00 0.00 WT1 H
+ATOM 12372 OH2 TIP3W9162 -20.242 12.057 -7.959 1.00 0.00 WT1 O
+ATOM 12373 H1 TIP3W9162 -20.050 12.191 -7.057 1.00 0.00 WT1 H
+ATOM 12374 H2 TIP3W9162 -20.057 11.083 -8.058 1.00 0.00 WT1 H
+ATOM 12375 OH2 TIP3W9165 -15.199 -32.221 3.730 1.00 0.00 WT1 O
+ATOM 12376 H1 TIP3W9165 -15.584 -31.476 3.239 1.00 0.00 WT1 H
+ATOM 12377 H2 TIP3W9165 -15.640 -32.157 4.649 1.00 0.00 WT1 H
+ATOM 12378 OH2 TIP3W9171 -20.356 25.924 21.170 1.00 0.00 WT1 O
+ATOM 12379 H1 TIP3W9171 -20.094 26.487 20.400 1.00 0.00 WT1 H
+ATOM 12380 H2 TIP3W9171 -19.544 25.642 21.554 1.00 0.00 WT1 H
+ATOM 12381 OH2 TIP3W9174 -12.740 23.416 21.755 1.00 0.00 WT1 O
+ATOM 12382 H1 TIP3W9174 -13.173 24.252 21.923 1.00 0.00 WT1 H
+ATOM 12383 H2 TIP3W9174 -11.868 23.507 22.280 1.00 0.00 WT1 H
+ATOM 12384 OH2 TIP3W9180 -15.264 30.325 -16.774 1.00 0.00 WT1 O
+ATOM 12385 H1 TIP3W9180 -14.720 30.644 -17.480 1.00 0.00 WT1 H
+ATOM 12386 H2 TIP3W9180 -16.118 30.673 -17.017 1.00 0.00 WT1 H
+ATOM 12387 OH2 TIP3W9181 -12.892 15.767 -15.862 1.00 0.00 WT1 O
+ATOM 12388 H1 TIP3W9181 -12.022 15.469 -16.179 1.00 0.00 WT1 H
+ATOM 12389 H2 TIP3W9181 -13.114 15.108 -15.084 1.00 0.00 WT1 H
+ATOM 12390 OH2 TIP3W9182 -20.074 24.160 -1.101 1.00 0.00 WT1 O
+ATOM 12391 H1 TIP3W9182 -20.613 24.921 -1.375 1.00 0.00 WT1 H
+ATOM 12392 H2 TIP3W9182 -19.445 24.532 -0.460 1.00 0.00 WT1 H
+ATOM 12393 OH2 TIP3W9183 -21.579 16.635 -8.086 1.00 0.00 WT1 O
+ATOM 12394 H1 TIP3W9183 -22.171 17.326 -8.474 1.00 0.00 WT1 H
+ATOM 12395 H2 TIP3W9183 -21.127 16.344 -8.887 1.00 0.00 WT1 H
+ATOM 12396 OH2 TIP3W9184 -19.925 17.834 -4.510 1.00 0.00 WT1 O
+ATOM 12397 H1 TIP3W9184 -20.238 18.314 -5.302 1.00 0.00 WT1 H
+ATOM 12398 H2 TIP3W9184 -18.946 17.721 -4.786 1.00 0.00 WT1 H
+ATOM 12399 OH2 TIP3W9185 -12.357 24.809 -19.688 1.00 0.00 WT1 O
+ATOM 12400 H1 TIP3W9185 -12.949 24.097 -19.378 1.00 0.00 WT1 H
+ATOM 12401 H2 TIP3W9185 -12.784 25.204 -20.438 1.00 0.00 WT1 H
+ATOM 12402 OH2 TIP3W9186 -11.881 21.547 -2.582 1.00 0.00 WT1 O
+ATOM 12403 H1 TIP3W9186 -12.619 22.110 -2.238 1.00 0.00 WT1 H
+ATOM 12404 H2 TIP3W9186 -12.110 21.564 -3.525 1.00 0.00 WT1 H
+ATOM 12405 OH2 TIP3W9187 -8.670 27.849 3.769 1.00 0.00 WT1 O
+ATOM 12406 H1 TIP3W9187 -7.844 27.590 4.121 1.00 0.00 WT1 H
+ATOM 12407 H2 TIP3W9187 -8.682 28.779 3.918 1.00 0.00 WT1 H
+ATOM 12408 OH2 TIP3W9188 -19.981 10.960 13.818 1.00 0.00 WT1 O
+ATOM 12409 H1 TIP3W9188 -19.963 11.721 14.438 1.00 0.00 WT1 H
+ATOM 12410 H2 TIP3W9188 -20.937 10.825 13.594 1.00 0.00 WT1 H
+ATOM 12411 OH2 TIP3W9189 -16.592 13.299 7.698 1.00 0.00 WT1 O
+ATOM 12412 H1 TIP3W9189 -17.333 13.579 8.257 1.00 0.00 WT1 H
+ATOM 12413 H2 TIP3W9189 -16.149 12.710 8.314 1.00 0.00 WT1 H
+ATOM 12414 OH2 TIP3W9196 -13.991 13.692 16.172 1.00 0.00 WT1 O
+ATOM 12415 H1 TIP3W9196 -14.746 13.089 15.891 1.00 0.00 WT1 H
+ATOM 12416 H2 TIP3W9196 -14.390 14.575 16.262 1.00 0.00 WT1 H
+ATOM 12417 OH2 TIP3W9198 -18.325 17.838 -19.466 1.00 0.00 WT1 O
+ATOM 12418 H1 TIP3W9198 -18.133 18.709 -19.116 1.00 0.00 WT1 H
+ATOM 12419 H2 TIP3W9198 -18.061 17.205 -18.846 1.00 0.00 WT1 H
+ATOM 12420 OH2 TIP3W9206 -15.275 22.725 8.776 1.00 0.00 WT1 O
+ATOM 12421 H1 TIP3W9206 -15.206 22.002 8.123 1.00 0.00 WT1 H
+ATOM 12422 H2 TIP3W9206 -15.064 23.504 8.169 1.00 0.00 WT1 H
+ATOM 12423 OH2 TIP3W9211 -18.091 20.214 8.493 1.00 0.00 WT1 O
+ATOM 12424 H1 TIP3W9211 -17.262 20.441 8.048 1.00 0.00 WT1 H
+ATOM 12425 H2 TIP3W9211 -17.874 20.221 9.391 1.00 0.00 WT1 H
+ATOM 12426 OH2 TIP3W9212 -17.730 -30.724 14.305 1.00 0.00 WT1 O
+ATOM 12427 H1 TIP3W9212 -17.075 -30.635 13.644 1.00 0.00 WT1 H
+ATOM 12428 H2 TIP3W9212 -17.236 -31.225 15.008 1.00 0.00 WT1 H
+ATOM 12429 OH2 TIP3W9213 -16.157 19.761 18.675 1.00 0.00 WT1 O
+ATOM 12430 H1 TIP3W9213 -15.614 19.049 19.051 1.00 0.00 WT1 H
+ATOM 12431 H2 TIP3W9213 -16.292 20.397 19.389 1.00 0.00 WT1 H
+ATOM 12432 OH2 TIP3W9222 -3.001 30.391 -15.249 1.00 0.00 WT1 O
+ATOM 12433 H1 TIP3W9222 -3.323 29.572 -14.860 1.00 0.00 WT1 H
+ATOM 12434 H2 TIP3W9222 -3.628 31.086 -14.788 1.00 0.00 WT1 H
+ATOM 12435 OH2 TIP3W9223 -20.259 22.878 -21.534 1.00 0.00 WT1 O
+ATOM 12436 H1 TIP3W9223 -19.603 23.533 -21.684 1.00 0.00 WT1 H
+ATOM 12437 H2 TIP3W9223 -21.103 23.316 -21.938 1.00 0.00 WT1 H
+ATOM 12438 OH2 TIP3W9226 -14.008 -31.575 -16.843 1.00 0.00 WT1 O
+ATOM 12439 H1 TIP3W9226 -14.658 -31.877 -17.501 1.00 0.00 WT1 H
+ATOM 12440 H2 TIP3W9226 -14.023 -30.606 -16.859 1.00 0.00 WT1 H
+ATOM 12441 OH2 TIP3W9228 -16.287 25.690 -7.477 1.00 0.00 WT1 O
+ATOM 12442 H1 TIP3W9228 -16.982 26.006 -8.095 1.00 0.00 WT1 H
+ATOM 12443 H2 TIP3W9228 -16.768 24.886 -7.192 1.00 0.00 WT1 H
+ATOM 12444 OH2 TIP3W9229 -16.754 29.896 18.671 1.00 0.00 WT1 O
+ATOM 12445 H1 TIP3W9229 -16.783 30.848 18.884 1.00 0.00 WT1 H
+ATOM 12446 H2 TIP3W9229 -15.782 29.832 18.770 1.00 0.00 WT1 H
+ATOM 12447 OH2 TIP3W9232 -13.981 30.617 19.223 1.00 0.00 WT1 O
+ATOM 12448 H1 TIP3W9232 -14.238 31.107 18.439 1.00 0.00 WT1 H
+ATOM 12449 H2 TIP3W9232 -13.322 31.236 19.625 1.00 0.00 WT1 H
+ATOM 12450 OH2 TIP3W9234 -12.255 -26.445 17.121 1.00 0.00 WT1 O
+ATOM 12451 H1 TIP3W9234 -12.399 -26.784 16.223 1.00 0.00 WT1 H
+ATOM 12452 H2 TIP3W9234 -12.099 -25.461 16.951 1.00 0.00 WT1 H
+ATOM 12453 OH2 TIP3W9235 -12.318 8.253 22.139 1.00 0.00 WT1 O
+ATOM 12454 H1 TIP3W9235 -12.100 8.192 21.209 1.00 0.00 WT1 H
+ATOM 12455 H2 TIP3W9235 -12.762 7.396 22.282 1.00 0.00 WT1 H
+ATOM 12456 OH2 TIP3W9241 -15.299 -22.235 -9.379 1.00 0.00 WT1 O
+ATOM 12457 H1 TIP3W9241 -15.955 -22.934 -9.117 1.00 0.00 WT1 H
+ATOM 12458 H2 TIP3W9241 -14.467 -22.738 -9.342 1.00 0.00 WT1 H
+ATOM 12459 OH2 TIP3W9244 -13.723 26.849 -18.418 1.00 0.00 WT1 O
+ATOM 12460 H1 TIP3W9244 -13.121 26.799 -17.631 1.00 0.00 WT1 H
+ATOM 12461 H2 TIP3W9244 -13.507 26.102 -18.995 1.00 0.00 WT1 H
+ATOM 12462 OH2 TIP3W9250 -19.239 -21.920 -3.380 1.00 0.00 WT1 O
+ATOM 12463 H1 TIP3W9250 -19.794 -21.452 -4.006 1.00 0.00 WT1 H
+ATOM 12464 H2 TIP3W9250 -18.322 -21.768 -3.738 1.00 0.00 WT1 H
+ATOM 12465 OH2 TIP3W9251 -12.151 20.287 12.078 1.00 0.00 WT1 O
+ATOM 12466 H1 TIP3W9251 -12.740 20.366 11.293 1.00 0.00 WT1 H
+ATOM 12467 H2 TIP3W9251 -11.441 19.643 11.734 1.00 0.00 WT1 H
+ATOM 12468 OH2 TIP3W9254 -20.319 23.821 8.123 1.00 0.00 WT1 O
+ATOM 12469 H1 TIP3W9254 -20.411 24.779 7.888 1.00 0.00 WT1 H
+ATOM 12470 H2 TIP3W9254 -20.892 23.803 8.924 1.00 0.00 WT1 H
+ATOM 12471 SOD SOD I 1 -19.294 6.857 -6.317 1.00 0.00 ION NA
+ATOM 12472 SOD SOD I 2 5.621 -30.803 21.458 1.00 0.00 ION NA
+ATOM 12473 SOD SOD I 3 -15.749 20.952 6.731 1.00 0.00 ION NA
+ATOM 12474 SOD SOD I 4 -0.349 -28.939 1.838 1.00 0.00 ION NA
+ATOM 12475 SOD SOD I 5 13.126 0.552 15.639 1.00 0.00 ION NA
+ATOM 12476 SOD SOD I 6 14.895 -3.038 5.677 1.00 0.00 ION NA
+ATOM 12477 SOD SOD I 7 12.906 -21.785 -2.407 1.00 0.00 ION NA
+ATOM 12478 SOD SOD I 8 11.756 17.158 5.944 1.00 0.00 ION NA
+ATOM 12479 SOD SOD I 9 -21.064 -2.719 -8.394 1.00 0.00 ION NA
+ATOM 12480 SOD SOD I 10 0.939 20.449 -12.708 1.00 0.00 ION NA
+ATOM 12481 SOD SOD I 11 -17.071 27.618 -20.984 1.00 0.00 ION NA
+ATOM 12482 CLA CLA I 12 5.424 -8.750 -9.899 1.00 0.00 ION CL
+ATOM 12483 CLA CLA I 13 -14.118 23.592 -1.948 1.00 0.00 ION CL
+ATOM 12484 CLA CLA I 14 14.348 4.735 0.544 1.00 0.00 ION CL
+ATOM 12485 CLA CLA I 15 -1.438 -29.619 -18.458 1.00 0.00 ION CL
+ATOM 12486 CLA CLA I 16 21.671 -2.812 12.396 1.00 0.00 ION CL
+ATOM 12487 CLA CLA I 17 -15.108 11.390 -19.010 1.00 0.00 ION CL
+ATOM 12488 CLA CLA I 18 -6.807 -2.960 21.228 1.00 0.00 ION CL
+ATOM 12489 CLA CLA I 19 -20.855 -0.928 -2.189 1.00 0.00 ION CL
+ATOM 12490 CLA CLA I 20 1.329 -16.204 -18.973 1.00 0.00 ION CL
+ATOM 12491 CLA CLA I 21 -15.599 -7.064 9.609 1.00 0.00 ION CL
+ATOM 12492 CLA CLA I 22 2.211 26.027 12.355 1.00 0.00 ION CL
+ATOM 12493 CLA CLA I 23 -10.576 28.387 19.018 1.00 0.00 ION CL
+ATOM 12494 CLA CLA I 24 21.128 -27.838 -2.463 1.00 0.00 ION CL
+ATOM 12495 CLA CLA I 25 8.248 8.656 21.376 1.00 0.00 ION CL
+ATOM 12496 CLA CLA I 26 5.125 2.526 17.676 1.00 0.00 ION CL
+END
Added: SwiftApps/subjobs/namd/input_files/h0_solvion.psf
===================================================================
--- SwiftApps/subjobs/namd/input_files/h0_solvion.psf (rev 0)
+++ SwiftApps/subjobs/namd/input_files/h0_solvion.psf 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,18281 @@
+PSF CMAP
+
+ 10 !NTITLE
+ REMARKS original generated structure x-plor psf file
+ REMARKS 2 patches were applied to the molecule.
+ REMARKS topology h0_autopsf-temp.top
+ REMARKS topology /Network/Servers/vothfile.uchicago.edu/home/fxv/NoSync/bin/vmd-1.9.1/lib/vmd/plugins/noarch/tcl/solvate1.5/wat.top
+ REMARKS topology /Network/Servers/vothfile.uchicago.edu/home/fxv/NoSync/bin/vmd-1.9.1/lib/vmd/plugins/noarch/tcl/readcharmmtop1.1/top_all27_prot_lipid_na.inp
+ REMARKS segment P1 { first NTER; last CTER; auto angles dihedrals }
+ REMARKS segment WT1 { first NONE; last NONE; auto none }
+ REMARKS segment ION { first NONE; last NONE; auto angles dihedrals }
+ REMARKS patch NTER P1:1
+ REMARKS patch CTER P1:22
+
+ 12496 !NATOM
+ 1 P1 1 MET N NH3 -0.300000 14.0070 0
+ 2 P1 1 MET HT1 HC 0.330000 1.0080 0
+ 3 P1 1 MET HT2 HC 0.330000 1.0080 0
+ 4 P1 1 MET HT3 HC 0.330000 1.0080 0
+ 5 P1 1 MET CA CT1 0.210000 12.0110 0
+ 6 P1 1 MET HA HB 0.100000 1.0080 0
+ 7 P1 1 MET CB CT2 -0.180000 12.0110 0
+ 8 P1 1 MET HB1 HA 0.090000 1.0080 0
+ 9 P1 1 MET HB2 HA 0.090000 1.0080 0
+ 10 P1 1 MET CG CT2 -0.140000 12.0110 0
+ 11 P1 1 MET HG1 HA 0.090000 1.0080 0
+ 12 P1 1 MET HG2 HA 0.090000 1.0080 0
+ 13 P1 1 MET SD S -0.090000 32.0600 0
+ 14 P1 1 MET CE CT3 -0.220000 12.0110 0
+ 15 P1 1 MET HE1 HA 0.090000 1.0080 0
+ 16 P1 1 MET HE2 HA 0.090000 1.0080 0
+ 17 P1 1 MET HE3 HA 0.090000 1.0080 0
+ 18 P1 1 MET C C 0.510000 12.0110 0
+ 19 P1 1 MET O O -0.510000 15.9990 0
+ 20 P1 2 SER N NH1 -0.470000 14.0070 0
+ 21 P1 2 SER HN H 0.310000 1.0080 0
+ 22 P1 2 SER CA CT1 0.070000 12.0110 0
+ 23 P1 2 SER HA HB 0.090000 1.0080 0
+ 24 P1 2 SER CB CT2 0.050000 12.0110 0
+ 25 P1 2 SER HB1 HA 0.090000 1.0080 0
+ 26 P1 2 SER HB2 HA 0.090000 1.0080 0
+ 27 P1 2 SER OG OH1 -0.660000 15.9990 0
+ 28 P1 2 SER HG1 H 0.430000 1.0080 0
+ 29 P1 2 SER C C 0.510000 12.0110 0
+ 30 P1 2 SER O O -0.510000 15.9990 0
+ 31 P1 3 VAL N NH1 -0.470000 14.0070 0
+ 32 P1 3 VAL HN H 0.310000 1.0080 0
+ 33 P1 3 VAL CA CT1 0.070000 12.0110 0
+ 34 P1 3 VAL HA HB 0.090000 1.0080 0
+ 35 P1 3 VAL CB CT1 -0.090000 12.0110 0
+ 36 P1 3 VAL HB HA 0.090000 1.0080 0
+ 37 P1 3 VAL CG1 CT3 -0.270000 12.0110 0
+ 38 P1 3 VAL HG11 HA 0.090000 1.0080 0
+ 39 P1 3 VAL HG12 HA 0.090000 1.0080 0
+ 40 P1 3 VAL HG13 HA 0.090000 1.0080 0
+ 41 P1 3 VAL CG2 CT3 -0.270000 12.0110 0
+ 42 P1 3 VAL HG21 HA 0.090000 1.0080 0
+ 43 P1 3 VAL HG22 HA 0.090000 1.0080 0
+ 44 P1 3 VAL HG23 HA 0.090000 1.0080 0
+ 45 P1 3 VAL C C 0.510000 12.0110 0
+ 46 P1 3 VAL O O -0.510000 15.9990 0
+ 47 P1 4 ALA N NH1 -0.470000 14.0070 0
+ 48 P1 4 ALA HN H 0.310000 1.0080 0
+ 49 P1 4 ALA CA CT1 0.070000 12.0110 0
+ 50 P1 4 ALA HA HB 0.090000 1.0080 0
+ 51 P1 4 ALA CB CT3 -0.270000 12.0110 0
+ 52 P1 4 ALA HB1 HA 0.090000 1.0080 0
+ 53 P1 4 ALA HB2 HA 0.090000 1.0080 0
+ 54 P1 4 ALA HB3 HA 0.090000 1.0080 0
+ 55 P1 4 ALA C C 0.510000 12.0110 0
+ 56 P1 4 ALA O O -0.510000 15.9990 0
+ 57 P1 5 GLY N NH1 -0.470000 14.0070 0
+ 58 P1 5 GLY HN H 0.310000 1.0080 0
+ 59 P1 5 GLY CA CT2 -0.020000 12.0110 0
+ 60 P1 5 GLY HA1 HB 0.090000 1.0080 0
+ 61 P1 5 GLY HA2 HB 0.090000 1.0080 0
+ 62 P1 5 GLY C C 0.510000 12.0110 0
+ 63 P1 5 GLY O O -0.510000 15.9990 0
+ 64 P1 6 LEU N NH1 -0.470000 14.0070 0
+ 65 P1 6 LEU HN H 0.310000 1.0080 0
+ 66 P1 6 LEU CA CT1 0.070000 12.0110 0
+ 67 P1 6 LEU HA HB 0.090000 1.0080 0
+ 68 P1 6 LEU CB CT2 -0.180000 12.0110 0
+ 69 P1 6 LEU HB1 HA 0.090000 1.0080 0
+ 70 P1 6 LEU HB2 HA 0.090000 1.0080 0
+ 71 P1 6 LEU CG CT1 -0.090000 12.0110 0
+ 72 P1 6 LEU HG HA 0.090000 1.0080 0
+ 73 P1 6 LEU CD1 CT3 -0.270000 12.0110 0
+ 74 P1 6 LEU HD11 HA 0.090000 1.0080 0
+ 75 P1 6 LEU HD12 HA 0.090000 1.0080 0
+ 76 P1 6 LEU HD13 HA 0.090000 1.0080 0
+ 77 P1 6 LEU CD2 CT3 -0.270000 12.0110 0
+ 78 P1 6 LEU HD21 HA 0.090000 1.0080 0
+ 79 P1 6 LEU HD22 HA 0.090000 1.0080 0
+ 80 P1 6 LEU HD23 HA 0.090000 1.0080 0
+ 81 P1 6 LEU C C 0.510000 12.0110 0
+ 82 P1 6 LEU O O -0.510000 15.9990 0
+ 83 P1 7 LYS N NH1 -0.470000 14.0070 0
+ 84 P1 7 LYS HN H 0.310000 1.0080 0
+ 85 P1 7 LYS CA CT1 0.070000 12.0110 0
+ 86 P1 7 LYS HA HB 0.090000 1.0080 0
+ 87 P1 7 LYS CB CT2 -0.180000 12.0110 0
+ 88 P1 7 LYS HB1 HA 0.090000 1.0080 0
+ 89 P1 7 LYS HB2 HA 0.090000 1.0080 0
+ 90 P1 7 LYS CG CT2 -0.180000 12.0110 0
+ 91 P1 7 LYS HG1 HA 0.090000 1.0080 0
+ 92 P1 7 LYS HG2 HA 0.090000 1.0080 0
+ 93 P1 7 LYS CD CT2 -0.180000 12.0110 0
+ 94 P1 7 LYS HD1 HA 0.090000 1.0080 0
+ 95 P1 7 LYS HD2 HA 0.090000 1.0080 0
+ 96 P1 7 LYS CE CT2 0.210000 12.0110 0
+ 97 P1 7 LYS HE1 HA 0.050000 1.0080 0
+ 98 P1 7 LYS HE2 HA 0.050000 1.0080 0
+ 99 P1 7 LYS NZ NH3 -0.300000 14.0070 0
+ 100 P1 7 LYS HZ1 HC 0.330000 1.0080 0
+ 101 P1 7 LYS HZ2 HC 0.330000 1.0080 0
+ 102 P1 7 LYS HZ3 HC 0.330000 1.0080 0
+ 103 P1 7 LYS C C 0.510000 12.0110 0
+ 104 P1 7 LYS O O -0.510000 15.9990 0
+ 105 P1 8 LYS N NH1 -0.470000 14.0070 0
+ 106 P1 8 LYS HN H 0.310000 1.0080 0
+ 107 P1 8 LYS CA CT1 0.070000 12.0110 0
+ 108 P1 8 LYS HA HB 0.090000 1.0080 0
+ 109 P1 8 LYS CB CT2 -0.180000 12.0110 0
+ 110 P1 8 LYS HB1 HA 0.090000 1.0080 0
+ 111 P1 8 LYS HB2 HA 0.090000 1.0080 0
+ 112 P1 8 LYS CG CT2 -0.180000 12.0110 0
+ 113 P1 8 LYS HG1 HA 0.090000 1.0080 0
+ 114 P1 8 LYS HG2 HA 0.090000 1.0080 0
+ 115 P1 8 LYS CD CT2 -0.180000 12.0110 0
+ 116 P1 8 LYS HD1 HA 0.090000 1.0080 0
+ 117 P1 8 LYS HD2 HA 0.090000 1.0080 0
+ 118 P1 8 LYS CE CT2 0.210000 12.0110 0
+ 119 P1 8 LYS HE1 HA 0.050000 1.0080 0
+ 120 P1 8 LYS HE2 HA 0.050000 1.0080 0
+ 121 P1 8 LYS NZ NH3 -0.300000 14.0070 0
+ 122 P1 8 LYS HZ1 HC 0.330000 1.0080 0
+ 123 P1 8 LYS HZ2 HC 0.330000 1.0080 0
+ 124 P1 8 LYS HZ3 HC 0.330000 1.0080 0
+ 125 P1 8 LYS C C 0.510000 12.0110 0
+ 126 P1 8 LYS O O -0.510000 15.9990 0
+ 127 P1 9 GLN N NH1 -0.470000 14.0070 0
+ 128 P1 9 GLN HN H 0.310000 1.0080 0
+ 129 P1 9 GLN CA CT1 0.070000 12.0110 0
+ 130 P1 9 GLN HA HB 0.090000 1.0080 0
+ 131 P1 9 GLN CB CT2 -0.180000 12.0110 0
+ 132 P1 9 GLN HB1 HA 0.090000 1.0080 0
+ 133 P1 9 GLN HB2 HA 0.090000 1.0080 0
+ 134 P1 9 GLN CG CT2 -0.180000 12.0110 0
+ 135 P1 9 GLN HG1 HA 0.090000 1.0080 0
+ 136 P1 9 GLN HG2 HA 0.090000 1.0080 0
+ 137 P1 9 GLN CD CC 0.550000 12.0110 0
+ 138 P1 9 GLN OE1 O -0.550000 15.9990 0
+ 139 P1 9 GLN NE2 NH2 -0.620000 14.0070 0
+ 140 P1 9 GLN HE21 H 0.320000 1.0080 0
+ 141 P1 9 GLN HE22 H 0.300000 1.0080 0
+ 142 P1 9 GLN C C 0.510000 12.0110 0
+ 143 P1 9 GLN O O -0.510000 15.9990 0
+ 144 P1 10 PHE N NH1 -0.470000 14.0070 0
+ 145 P1 10 PHE HN H 0.310000 1.0080 0
+ 146 P1 10 PHE CA CT1 0.070000 12.0110 0
+ 147 P1 10 PHE HA HB 0.090000 1.0080 0
+ 148 P1 10 PHE CB CT2 -0.180000 12.0110 0
+ 149 P1 10 PHE HB1 HA 0.090000 1.0080 0
+ 150 P1 10 PHE HB2 HA 0.090000 1.0080 0
+ 151 P1 10 PHE CG CA 0.000000 12.0110 0
+ 152 P1 10 PHE CD1 CA -0.115000 12.0110 0
+ 153 P1 10 PHE HD1 HP 0.115000 1.0080 0
+ 154 P1 10 PHE CE1 CA -0.115000 12.0110 0
+ 155 P1 10 PHE HE1 HP 0.115000 1.0080 0
+ 156 P1 10 PHE CZ CA -0.115000 12.0110 0
+ 157 P1 10 PHE HZ HP 0.115000 1.0080 0
+ 158 P1 10 PHE CD2 CA -0.115000 12.0110 0
+ 159 P1 10 PHE HD2 HP 0.115000 1.0080 0
+ 160 P1 10 PHE CE2 CA -0.115000 12.0110 0
+ 161 P1 10 PHE HE2 HP 0.115000 1.0080 0
+ 162 P1 10 PHE C C 0.510000 12.0110 0
+ 163 P1 10 PHE O O -0.510000 15.9990 0
+ 164 P1 11 HSD N NH1 -0.470000 14.0070 0
+ 165 P1 11 HSD HN H 0.310000 1.0080 0
+ 166 P1 11 HSD CA CT1 0.070000 12.0110 0
+ 167 P1 11 HSD HA HB 0.090000 1.0080 0
+ 168 P1 11 HSD CB CT2 -0.090000 12.0110 0
+ 169 P1 11 HSD HB1 HA 0.090000 1.0080 0
+ 170 P1 11 HSD HB2 HA 0.090000 1.0080 0
+ 171 P1 11 HSD ND1 NR1 -0.360000 14.0070 0
+ 172 P1 11 HSD HD1 H 0.320000 1.0080 0
+ 173 P1 11 HSD CG CPH1 -0.050000 12.0110 0
+ 174 P1 11 HSD CE1 CPH2 0.250000 12.0110 0
+ 175 P1 11 HSD HE1 HR1 0.130000 1.0080 0
+ 176 P1 11 HSD NE2 NR2 -0.700000 14.0070 0
+ 177 P1 11 HSD CD2 CPH1 0.220000 12.0110 0
+ 178 P1 11 HSD HD2 HR3 0.100000 1.0080 0
+ 179 P1 11 HSD C C 0.510000 12.0110 0
+ 180 P1 11 HSD O O -0.510000 15.9990 0
+ 181 P1 12 LYS N NH1 -0.470000 14.0070 0
+ 182 P1 12 LYS HN H 0.310000 1.0080 0
+ 183 P1 12 LYS CA CT1 0.070000 12.0110 0
+ 184 P1 12 LYS HA HB 0.090000 1.0080 0
+ 185 P1 12 LYS CB CT2 -0.180000 12.0110 0
+ 186 P1 12 LYS HB1 HA 0.090000 1.0080 0
+ 187 P1 12 LYS HB2 HA 0.090000 1.0080 0
+ 188 P1 12 LYS CG CT2 -0.180000 12.0110 0
+ 189 P1 12 LYS HG1 HA 0.090000 1.0080 0
+ 190 P1 12 LYS HG2 HA 0.090000 1.0080 0
+ 191 P1 12 LYS CD CT2 -0.180000 12.0110 0
+ 192 P1 12 LYS HD1 HA 0.090000 1.0080 0
+ 193 P1 12 LYS HD2 HA 0.090000 1.0080 0
+ 194 P1 12 LYS CE CT2 0.210000 12.0110 0
+ 195 P1 12 LYS HE1 HA 0.050000 1.0080 0
+ 196 P1 12 LYS HE2 HA 0.050000 1.0080 0
+ 197 P1 12 LYS NZ NH3 -0.300000 14.0070 0
+ 198 P1 12 LYS HZ1 HC 0.330000 1.0080 0
+ 199 P1 12 LYS HZ2 HC 0.330000 1.0080 0
+ 200 P1 12 LYS HZ3 HC 0.330000 1.0080 0
+ 201 P1 12 LYS C C 0.510000 12.0110 0
+ 202 P1 12 LYS O O -0.510000 15.9990 0
+ 203 P1 13 ALA N NH1 -0.470000 14.0070 0
+ 204 P1 13 ALA HN H 0.310000 1.0080 0
+ 205 P1 13 ALA CA CT1 0.070000 12.0110 0
+ 206 P1 13 ALA HA HB 0.090000 1.0080 0
+ 207 P1 13 ALA CB CT3 -0.270000 12.0110 0
+ 208 P1 13 ALA HB1 HA 0.090000 1.0080 0
+ 209 P1 13 ALA HB2 HA 0.090000 1.0080 0
+ 210 P1 13 ALA HB3 HA 0.090000 1.0080 0
+ 211 P1 13 ALA C C 0.510000 12.0110 0
+ 212 P1 13 ALA O O -0.510000 15.9990 0
+ 213 P1 14 THR N NH1 -0.470000 14.0070 0
+ 214 P1 14 THR HN H 0.310000 1.0080 0
+ 215 P1 14 THR CA CT1 0.070000 12.0110 0
+ 216 P1 14 THR HA HB 0.090000 1.0080 0
+ 217 P1 14 THR CB CT1 0.140000 12.0110 0
+ 218 P1 14 THR HB HA 0.090000 1.0080 0
+ 219 P1 14 THR OG1 OH1 -0.660000 15.9990 0
+ 220 P1 14 THR HG1 H 0.430000 1.0080 0
+ 221 P1 14 THR CG2 CT3 -0.270000 12.0110 0
+ 222 P1 14 THR HG21 HA 0.090000 1.0080 0
+ 223 P1 14 THR HG22 HA 0.090000 1.0080 0
+ 224 P1 14 THR HG23 HA 0.090000 1.0080 0
+ 225 P1 14 THR C C 0.510000 12.0110 0
+ 226 P1 14 THR O O -0.510000 15.9990 0
+ 227 P1 15 GLN N NH1 -0.470000 14.0070 0
+ 228 P1 15 GLN HN H 0.310000 1.0080 0
+ 229 P1 15 GLN CA CT1 0.070000 12.0110 0
+ 230 P1 15 GLN HA HB 0.090000 1.0080 0
+ 231 P1 15 GLN CB CT2 -0.180000 12.0110 0
+ 232 P1 15 GLN HB1 HA 0.090000 1.0080 0
+ 233 P1 15 GLN HB2 HA 0.090000 1.0080 0
+ 234 P1 15 GLN CG CT2 -0.180000 12.0110 0
+ 235 P1 15 GLN HG1 HA 0.090000 1.0080 0
+ 236 P1 15 GLN HG2 HA 0.090000 1.0080 0
+ 237 P1 15 GLN CD CC 0.550000 12.0110 0
+ 238 P1 15 GLN OE1 O -0.550000 15.9990 0
+ 239 P1 15 GLN NE2 NH2 -0.620000 14.0070 0
+ 240 P1 15 GLN HE21 H 0.320000 1.0080 0
+ 241 P1 15 GLN HE22 H 0.300000 1.0080 0
+ 242 P1 15 GLN C C 0.510000 12.0110 0
+ 243 P1 15 GLN O O -0.510000 15.9990 0
+ 244 P1 16 LYS N NH1 -0.470000 14.0070 0
+ 245 P1 16 LYS HN H 0.310000 1.0080 0
+ 246 P1 16 LYS CA CT1 0.070000 12.0110 0
+ 247 P1 16 LYS HA HB 0.090000 1.0080 0
+ 248 P1 16 LYS CB CT2 -0.180000 12.0110 0
+ 249 P1 16 LYS HB1 HA 0.090000 1.0080 0
+ 250 P1 16 LYS HB2 HA 0.090000 1.0080 0
+ 251 P1 16 LYS CG CT2 -0.180000 12.0110 0
+ 252 P1 16 LYS HG1 HA 0.090000 1.0080 0
+ 253 P1 16 LYS HG2 HA 0.090000 1.0080 0
+ 254 P1 16 LYS CD CT2 -0.180000 12.0110 0
+ 255 P1 16 LYS HD1 HA 0.090000 1.0080 0
+ 256 P1 16 LYS HD2 HA 0.090000 1.0080 0
+ 257 P1 16 LYS CE CT2 0.210000 12.0110 0
+ 258 P1 16 LYS HE1 HA 0.050000 1.0080 0
+ 259 P1 16 LYS HE2 HA 0.050000 1.0080 0
+ 260 P1 16 LYS NZ NH3 -0.300000 14.0070 0
+ 261 P1 16 LYS HZ1 HC 0.330000 1.0080 0
+ 262 P1 16 LYS HZ2 HC 0.330000 1.0080 0
+ 263 P1 16 LYS HZ3 HC 0.330000 1.0080 0
+ 264 P1 16 LYS C C 0.510000 12.0110 0
+ 265 P1 16 LYS O O -0.510000 15.9990 0
+ 266 P1 17 VAL N NH1 -0.470000 14.0070 0
+ 267 P1 17 VAL HN H 0.310000 1.0080 0
+ 268 P1 17 VAL CA CT1 0.070000 12.0110 0
+ 269 P1 17 VAL HA HB 0.090000 1.0080 0
+ 270 P1 17 VAL CB CT1 -0.090000 12.0110 0
+ 271 P1 17 VAL HB HA 0.090000 1.0080 0
+ 272 P1 17 VAL CG1 CT3 -0.270000 12.0110 0
+ 273 P1 17 VAL HG11 HA 0.090000 1.0080 0
+ 274 P1 17 VAL HG12 HA 0.090000 1.0080 0
+ 275 P1 17 VAL HG13 HA 0.090000 1.0080 0
+ 276 P1 17 VAL CG2 CT3 -0.270000 12.0110 0
+ 277 P1 17 VAL HG21 HA 0.090000 1.0080 0
+ 278 P1 17 VAL HG22 HA 0.090000 1.0080 0
+ 279 P1 17 VAL HG23 HA 0.090000 1.0080 0
+ 280 P1 17 VAL C C 0.510000 12.0110 0
+ 281 P1 17 VAL O O -0.510000 15.9990 0
+ 282 P1 18 SER N NH1 -0.470000 14.0070 0
+ 283 P1 18 SER HN H 0.310000 1.0080 0
+ 284 P1 18 SER CA CT1 0.070000 12.0110 0
+ 285 P1 18 SER HA HB 0.090000 1.0080 0
+ 286 P1 18 SER CB CT2 0.050000 12.0110 0
+ 287 P1 18 SER HB1 HA 0.090000 1.0080 0
+ 288 P1 18 SER HB2 HA 0.090000 1.0080 0
+ 289 P1 18 SER OG OH1 -0.660000 15.9990 0
+ 290 P1 18 SER HG1 H 0.430000 1.0080 0
+ 291 P1 18 SER C C 0.510000 12.0110 0
+ 292 P1 18 SER O O -0.510000 15.9990 0
+ 293 P1 19 GLU N NH1 -0.470000 14.0070 0
+ 294 P1 19 GLU HN H 0.310000 1.0080 0
+ 295 P1 19 GLU CA CT1 0.070000 12.0110 0
+ 296 P1 19 GLU HA HB 0.090000 1.0080 0
+ 297 P1 19 GLU CB CT2 -0.180000 12.0110 0
+ 298 P1 19 GLU HB1 HA 0.090000 1.0080 0
+ 299 P1 19 GLU HB2 HA 0.090000 1.0080 0
+ 300 P1 19 GLU CG CT2 -0.280000 12.0110 0
+ 301 P1 19 GLU HG1 HA 0.090000 1.0080 0
+ 302 P1 19 GLU HG2 HA 0.090000 1.0080 0
+ 303 P1 19 GLU CD CC 0.620000 12.0110 0
+ 304 P1 19 GLU OE1 OC -0.760000 15.9990 0
+ 305 P1 19 GLU OE2 OC -0.760000 15.9990 0
+ 306 P1 19 GLU C C 0.510000 12.0110 0
+ 307 P1 19 GLU O O -0.510000 15.9990 0
+ 308 P1 20 LYS N NH1 -0.470000 14.0070 0
+ 309 P1 20 LYS HN H 0.310000 1.0080 0
+ 310 P1 20 LYS CA CT1 0.070000 12.0110 0
+ 311 P1 20 LYS HA HB 0.090000 1.0080 0
+ 312 P1 20 LYS CB CT2 -0.180000 12.0110 0
+ 313 P1 20 LYS HB1 HA 0.090000 1.0080 0
+ 314 P1 20 LYS HB2 HA 0.090000 1.0080 0
+ 315 P1 20 LYS CG CT2 -0.180000 12.0110 0
+ 316 P1 20 LYS HG1 HA 0.090000 1.0080 0
+ 317 P1 20 LYS HG2 HA 0.090000 1.0080 0
+ 318 P1 20 LYS CD CT2 -0.180000 12.0110 0
+ 319 P1 20 LYS HD1 HA 0.090000 1.0080 0
+ 320 P1 20 LYS HD2 HA 0.090000 1.0080 0
+ 321 P1 20 LYS CE CT2 0.210000 12.0110 0
+ 322 P1 20 LYS HE1 HA 0.050000 1.0080 0
+ 323 P1 20 LYS HE2 HA 0.050000 1.0080 0
+ 324 P1 20 LYS NZ NH3 -0.300000 14.0070 0
+ 325 P1 20 LYS HZ1 HC 0.330000 1.0080 0
+ 326 P1 20 LYS HZ2 HC 0.330000 1.0080 0
+ 327 P1 20 LYS HZ3 HC 0.330000 1.0080 0
+ 328 P1 20 LYS C C 0.510000 12.0110 0
+ 329 P1 20 LYS O O -0.510000 15.9990 0
+ 330 P1 21 VAL N NH1 -0.470000 14.0070 0
+ 331 P1 21 VAL HN H 0.310000 1.0080 0
+ 332 P1 21 VAL CA CT1 0.070000 12.0110 0
+ 333 P1 21 VAL HA HB 0.090000 1.0080 0
+ 334 P1 21 VAL CB CT1 -0.090000 12.0110 0
+ 335 P1 21 VAL HB HA 0.090000 1.0080 0
+ 336 P1 21 VAL CG1 CT3 -0.270000 12.0110 0
+ 337 P1 21 VAL HG11 HA 0.090000 1.0080 0
+ 338 P1 21 VAL HG12 HA 0.090000 1.0080 0
+ 339 P1 21 VAL HG13 HA 0.090000 1.0080 0
+ 340 P1 21 VAL CG2 CT3 -0.270000 12.0110 0
+ 341 P1 21 VAL HG21 HA 0.090000 1.0080 0
+ 342 P1 21 VAL HG22 HA 0.090000 1.0080 0
+ 343 P1 21 VAL HG23 HA 0.090000 1.0080 0
+ 344 P1 21 VAL C C 0.510000 12.0110 0
+ 345 P1 21 VAL O O -0.510000 15.9990 0
+ 346 P1 22 GLY C CC 0.340000 12.0110 0
+ 347 P1 22 GLY OT1 OC -0.670000 15.9990 0
+ 348 P1 22 GLY OT2 OC -0.670000 15.9990 0
+ 349 P1 22 GLY N NH1 -0.470000 14.0070 0
+ 350 P1 22 GLY HN H 0.310000 1.0080 0
+ 351 P1 22 GLY CA CT2 -0.020000 12.0110 0
+ 352 P1 22 GLY HA1 HB 0.090000 1.0080 0
+ 353 P1 22 GLY HA2 HB 0.090000 1.0080 0
+ 354 WT1 2 TIP3 OH2 OT -0.834000 15.9994 0
+ 355 WT1 2 TIP3 H1 HT 0.417000 1.0080 0
+ 356 WT1 2 TIP3 H2 HT 0.417000 1.0080 0
+ 357 WT1 3 TIP3 OH2 OT -0.834000 15.9994 0
+ 358 WT1 3 TIP3 H1 HT 0.417000 1.0080 0
+ 359 WT1 3 TIP3 H2 HT 0.417000 1.0080 0
+ 360 WT1 5 TIP3 OH2 OT -0.834000 15.9994 0
+ 361 WT1 5 TIP3 H1 HT 0.417000 1.0080 0
+ 362 WT1 5 TIP3 H2 HT 0.417000 1.0080 0
+ 363 WT1 7 TIP3 OH2 OT -0.834000 15.9994 0
+ 364 WT1 7 TIP3 H1 HT 0.417000 1.0080 0
+ 365 WT1 7 TIP3 H2 HT 0.417000 1.0080 0
+ 366 WT1 8 TIP3 OH2 OT -0.834000 15.9994 0
+ 367 WT1 8 TIP3 H1 HT 0.417000 1.0080 0
+ 368 WT1 8 TIP3 H2 HT 0.417000 1.0080 0
+ 369 WT1 15 TIP3 OH2 OT -0.834000 15.9994 0
+ 370 WT1 15 TIP3 H1 HT 0.417000 1.0080 0
+ 371 WT1 15 TIP3 H2 HT 0.417000 1.0080 0
+ 372 WT1 21 TIP3 OH2 OT -0.834000 15.9994 0
+ 373 WT1 21 TIP3 H1 HT 0.417000 1.0080 0
+ 374 WT1 21 TIP3 H2 HT 0.417000 1.0080 0
+ 375 WT1 26 TIP3 OH2 OT -0.834000 15.9994 0
+ 376 WT1 26 TIP3 H1 HT 0.417000 1.0080 0
+ 377 WT1 26 TIP3 H2 HT 0.417000 1.0080 0
+ 378 WT1 29 TIP3 OH2 OT -0.834000 15.9994 0
+ 379 WT1 29 TIP3 H1 HT 0.417000 1.0080 0
+ 380 WT1 29 TIP3 H2 HT 0.417000 1.0080 0
+ 381 WT1 30 TIP3 OH2 OT -0.834000 15.9994 0
+ 382 WT1 30 TIP3 H1 HT 0.417000 1.0080 0
+ 383 WT1 30 TIP3 H2 HT 0.417000 1.0080 0
+ 384 WT1 44 TIP3 OH2 OT -0.834000 15.9994 0
+ 385 WT1 44 TIP3 H1 HT 0.417000 1.0080 0
+ 386 WT1 44 TIP3 H2 HT 0.417000 1.0080 0
+ 387 WT1 46 TIP3 OH2 OT -0.834000 15.9994 0
+ 388 WT1 46 TIP3 H1 HT 0.417000 1.0080 0
+ 389 WT1 46 TIP3 H2 HT 0.417000 1.0080 0
+ 390 WT1 47 TIP3 OH2 OT -0.834000 15.9994 0
+ 391 WT1 47 TIP3 H1 HT 0.417000 1.0080 0
+ 392 WT1 47 TIP3 H2 HT 0.417000 1.0080 0
+ 393 WT1 48 TIP3 OH2 OT -0.834000 15.9994 0
+ 394 WT1 48 TIP3 H1 HT 0.417000 1.0080 0
+ 395 WT1 48 TIP3 H2 HT 0.417000 1.0080 0
+ 396 WT1 52 TIP3 OH2 OT -0.834000 15.9994 0
+ 397 WT1 52 TIP3 H1 HT 0.417000 1.0080 0
+ 398 WT1 52 TIP3 H2 HT 0.417000 1.0080 0
+ 399 WT1 53 TIP3 OH2 OT -0.834000 15.9994 0
+ 400 WT1 53 TIP3 H1 HT 0.417000 1.0080 0
+ 401 WT1 53 TIP3 H2 HT 0.417000 1.0080 0
+ 402 WT1 55 TIP3 OH2 OT -0.834000 15.9994 0
+ 403 WT1 55 TIP3 H1 HT 0.417000 1.0080 0
+ 404 WT1 55 TIP3 H2 HT 0.417000 1.0080 0
+ 405 WT1 56 TIP3 OH2 OT -0.834000 15.9994 0
+ 406 WT1 56 TIP3 H1 HT 0.417000 1.0080 0
+ 407 WT1 56 TIP3 H2 HT 0.417000 1.0080 0
+ 408 WT1 64 TIP3 OH2 OT -0.834000 15.9994 0
+ 409 WT1 64 TIP3 H1 HT 0.417000 1.0080 0
+ 410 WT1 64 TIP3 H2 HT 0.417000 1.0080 0
+ 411 WT1 65 TIP3 OH2 OT -0.834000 15.9994 0
+ 412 WT1 65 TIP3 H1 HT 0.417000 1.0080 0
+ 413 WT1 65 TIP3 H2 HT 0.417000 1.0080 0
+ 414 WT1 67 TIP3 OH2 OT -0.834000 15.9994 0
+ 415 WT1 67 TIP3 H1 HT 0.417000 1.0080 0
+ 416 WT1 67 TIP3 H2 HT 0.417000 1.0080 0
+ 417 WT1 68 TIP3 OH2 OT -0.834000 15.9994 0
+ 418 WT1 68 TIP3 H1 HT 0.417000 1.0080 0
+ 419 WT1 68 TIP3 H2 HT 0.417000 1.0080 0
+ 420 WT1 71 TIP3 OH2 OT -0.834000 15.9994 0
+ 421 WT1 71 TIP3 H1 HT 0.417000 1.0080 0
+ 422 WT1 71 TIP3 H2 HT 0.417000 1.0080 0
+ 423 WT1 75 TIP3 OH2 OT -0.834000 15.9994 0
+ 424 WT1 75 TIP3 H1 HT 0.417000 1.0080 0
+ 425 WT1 75 TIP3 H2 HT 0.417000 1.0080 0
+ 426 WT1 76 TIP3 OH2 OT -0.834000 15.9994 0
+ 427 WT1 76 TIP3 H1 HT 0.417000 1.0080 0
+ 428 WT1 76 TIP3 H2 HT 0.417000 1.0080 0
+ 429 WT1 85 TIP3 OH2 OT -0.834000 15.9994 0
+ 430 WT1 85 TIP3 H1 HT 0.417000 1.0080 0
+ 431 WT1 85 TIP3 H2 HT 0.417000 1.0080 0
+ 432 WT1 86 TIP3 OH2 OT -0.834000 15.9994 0
+ 433 WT1 86 TIP3 H1 HT 0.417000 1.0080 0
+ 434 WT1 86 TIP3 H2 HT 0.417000 1.0080 0
+ 435 WT1 87 TIP3 OH2 OT -0.834000 15.9994 0
+ 436 WT1 87 TIP3 H1 HT 0.417000 1.0080 0
+ 437 WT1 87 TIP3 H2 HT 0.417000 1.0080 0
+ 438 WT1 88 TIP3 OH2 OT -0.834000 15.9994 0
+ 439 WT1 88 TIP3 H1 HT 0.417000 1.0080 0
+ 440 WT1 88 TIP3 H2 HT 0.417000 1.0080 0
+ 441 WT1 90 TIP3 OH2 OT -0.834000 15.9994 0
+ 442 WT1 90 TIP3 H1 HT 0.417000 1.0080 0
+ 443 WT1 90 TIP3 H2 HT 0.417000 1.0080 0
+ 444 WT1 94 TIP3 OH2 OT -0.834000 15.9994 0
+ 445 WT1 94 TIP3 H1 HT 0.417000 1.0080 0
+ 446 WT1 94 TIP3 H2 HT 0.417000 1.0080 0
+ 447 WT1 95 TIP3 OH2 OT -0.834000 15.9994 0
+ 448 WT1 95 TIP3 H1 HT 0.417000 1.0080 0
+ 449 WT1 95 TIP3 H2 HT 0.417000 1.0080 0
+ 450 WT1 96 TIP3 OH2 OT -0.834000 15.9994 0
+ 451 WT1 96 TIP3 H1 HT 0.417000 1.0080 0
+ 452 WT1 96 TIP3 H2 HT 0.417000 1.0080 0
+ 453 WT1 97 TIP3 OH2 OT -0.834000 15.9994 0
+ 454 WT1 97 TIP3 H1 HT 0.417000 1.0080 0
+ 455 WT1 97 TIP3 H2 HT 0.417000 1.0080 0
+ 456 WT1 98 TIP3 OH2 OT -0.834000 15.9994 0
+ 457 WT1 98 TIP3 H1 HT 0.417000 1.0080 0
+ 458 WT1 98 TIP3 H2 HT 0.417000 1.0080 0
+ 459 WT1 99 TIP3 OH2 OT -0.834000 15.9994 0
+ 460 WT1 99 TIP3 H1 HT 0.417000 1.0080 0
+ 461 WT1 99 TIP3 H2 HT 0.417000 1.0080 0
+ 462 WT1 108 TIP3 OH2 OT -0.834000 15.9994 0
+ 463 WT1 108 TIP3 H1 HT 0.417000 1.0080 0
+ 464 WT1 108 TIP3 H2 HT 0.417000 1.0080 0
+ 465 WT1 111 TIP3 OH2 OT -0.834000 15.9994 0
+ 466 WT1 111 TIP3 H1 HT 0.417000 1.0080 0
+ 467 WT1 111 TIP3 H2 HT 0.417000 1.0080 0
+ 468 WT1 112 TIP3 OH2 OT -0.834000 15.9994 0
+ 469 WT1 112 TIP3 H1 HT 0.417000 1.0080 0
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+ 471 WT1 113 TIP3 OH2 OT -0.834000 15.9994 0
+ 472 WT1 113 TIP3 H1 HT 0.417000 1.0080 0
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+ 474 WT1 115 TIP3 OH2 OT -0.834000 15.9994 0
+ 475 WT1 115 TIP3 H1 HT 0.417000 1.0080 0
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+ 477 WT1 116 TIP3 OH2 OT -0.834000 15.9994 0
+ 478 WT1 116 TIP3 H1 HT 0.417000 1.0080 0
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+ 480 WT1 123 TIP3 OH2 OT -0.834000 15.9994 0
+ 481 WT1 123 TIP3 H1 HT 0.417000 1.0080 0
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+ 483 WT1 125 TIP3 OH2 OT -0.834000 15.9994 0
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+ 486 WT1 129 TIP3 OH2 OT -0.834000 15.9994 0
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+ 489 WT1 130 TIP3 OH2 OT -0.834000 15.9994 0
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+ 492 WT1 131 TIP3 OH2 OT -0.834000 15.9994 0
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+ 498 WT1 134 TIP3 OH2 OT -0.834000 15.9994 0
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+ 828 WT1 481 TIP3 OH2 OT -0.834000 15.9994 0
+ 829 WT1 481 TIP3 H1 HT 0.417000 1.0080 0
+ 830 WT1 481 TIP3 H2 HT 0.417000 1.0080 0
+ 831 WT1 483 TIP3 OH2 OT -0.834000 15.9994 0
+ 832 WT1 483 TIP3 H1 HT 0.417000 1.0080 0
+ 833 WT1 483 TIP3 H2 HT 0.417000 1.0080 0
+ 834 WT1 484 TIP3 OH2 OT -0.834000 15.9994 0
+ 835 WT1 484 TIP3 H1 HT 0.417000 1.0080 0
+ 836 WT1 484 TIP3 H2 HT 0.417000 1.0080 0
+ 837 WT1 485 TIP3 OH2 OT -0.834000 15.9994 0
+ 838 WT1 485 TIP3 H1 HT 0.417000 1.0080 0
+ 839 WT1 485 TIP3 H2 HT 0.417000 1.0080 0
+ 840 WT1 486 TIP3 OH2 OT -0.834000 15.9994 0
+ 841 WT1 486 TIP3 H1 HT 0.417000 1.0080 0
+ 842 WT1 486 TIP3 H2 HT 0.417000 1.0080 0
+ 843 WT1 489 TIP3 OH2 OT -0.834000 15.9994 0
+ 844 WT1 489 TIP3 H1 HT 0.417000 1.0080 0
+ 845 WT1 489 TIP3 H2 HT 0.417000 1.0080 0
+ 846 WT1 490 TIP3 OH2 OT -0.834000 15.9994 0
+ 847 WT1 490 TIP3 H1 HT 0.417000 1.0080 0
+ 848 WT1 490 TIP3 H2 HT 0.417000 1.0080 0
+ 849 WT1 491 TIP3 OH2 OT -0.834000 15.9994 0
+ 850 WT1 491 TIP3 H1 HT 0.417000 1.0080 0
+ 851 WT1 491 TIP3 H2 HT 0.417000 1.0080 0
+ 852 WT1 494 TIP3 OH2 OT -0.834000 15.9994 0
+ 853 WT1 494 TIP3 H1 HT 0.417000 1.0080 0
+ 854 WT1 494 TIP3 H2 HT 0.417000 1.0080 0
+ 855 WT1 495 TIP3 OH2 OT -0.834000 15.9994 0
+ 856 WT1 495 TIP3 H1 HT 0.417000 1.0080 0
+ 857 WT1 495 TIP3 H2 HT 0.417000 1.0080 0
+ 858 WT1 496 TIP3 OH2 OT -0.834000 15.9994 0
+ 859 WT1 496 TIP3 H1 HT 0.417000 1.0080 0
+ 860 WT1 496 TIP3 H2 HT 0.417000 1.0080 0
+ 861 WT1 498 TIP3 OH2 OT -0.834000 15.9994 0
+ 862 WT1 498 TIP3 H1 HT 0.417000 1.0080 0
+ 863 WT1 498 TIP3 H2 HT 0.417000 1.0080 0
+ 864 WT1 503 TIP3 OH2 OT -0.834000 15.9994 0
+ 865 WT1 503 TIP3 H1 HT 0.417000 1.0080 0
+ 866 WT1 503 TIP3 H2 HT 0.417000 1.0080 0
+ 867 WT1 506 TIP3 OH2 OT -0.834000 15.9994 0
+ 868 WT1 506 TIP3 H1 HT 0.417000 1.0080 0
+ 869 WT1 506 TIP3 H2 HT 0.417000 1.0080 0
+ 870 WT1 507 TIP3 OH2 OT -0.834000 15.9994 0
+ 871 WT1 507 TIP3 H1 HT 0.417000 1.0080 0
+ 872 WT1 507 TIP3 H2 HT 0.417000 1.0080 0
+ 873 WT1 508 TIP3 OH2 OT -0.834000 15.9994 0
+ 874 WT1 508 TIP3 H1 HT 0.417000 1.0080 0
+ 875 WT1 508 TIP3 H2 HT 0.417000 1.0080 0
+ 876 WT1 509 TIP3 OH2 OT -0.834000 15.9994 0
+ 877 WT1 509 TIP3 H1 HT 0.417000 1.0080 0
+ 878 WT1 509 TIP3 H2 HT 0.417000 1.0080 0
+ 879 WT1 511 TIP3 OH2 OT -0.834000 15.9994 0
+ 880 WT1 511 TIP3 H1 HT 0.417000 1.0080 0
+ 881 WT1 511 TIP3 H2 HT 0.417000 1.0080 0
+ 882 WT1 512 TIP3 OH2 OT -0.834000 15.9994 0
+ 883 WT1 512 TIP3 H1 HT 0.417000 1.0080 0
+ 884 WT1 512 TIP3 H2 HT 0.417000 1.0080 0
+ 885 WT1 514 TIP3 OH2 OT -0.834000 15.9994 0
+ 886 WT1 514 TIP3 H1 HT 0.417000 1.0080 0
+ 887 WT1 514 TIP3 H2 HT 0.417000 1.0080 0
+ 888 WT1 515 TIP3 OH2 OT -0.834000 15.9994 0
+ 889 WT1 515 TIP3 H1 HT 0.417000 1.0080 0
+ 890 WT1 515 TIP3 H2 HT 0.417000 1.0080 0
+ 891 WT1 516 TIP3 OH2 OT -0.834000 15.9994 0
+ 892 WT1 516 TIP3 H1 HT 0.417000 1.0080 0
+ 893 WT1 516 TIP3 H2 HT 0.417000 1.0080 0
+ 894 WT1 517 TIP3 OH2 OT -0.834000 15.9994 0
+ 895 WT1 517 TIP3 H1 HT 0.417000 1.0080 0
+ 896 WT1 517 TIP3 H2 HT 0.417000 1.0080 0
+ 897 WT1 528 TIP3 OH2 OT -0.834000 15.9994 0
+ 898 WT1 528 TIP3 H1 HT 0.417000 1.0080 0
+ 899 WT1 528 TIP3 H2 HT 0.417000 1.0080 0
+ 900 WT1 529 TIP3 OH2 OT -0.834000 15.9994 0
+ 901 WT1 529 TIP3 H1 HT 0.417000 1.0080 0
+ 902 WT1 529 TIP3 H2 HT 0.417000 1.0080 0
+ 903 WT1 533 TIP3 OH2 OT -0.834000 15.9994 0
+ 904 WT1 533 TIP3 H1 HT 0.417000 1.0080 0
+ 905 WT1 533 TIP3 H2 HT 0.417000 1.0080 0
+ 906 WT1 534 TIP3 OH2 OT -0.834000 15.9994 0
+ 907 WT1 534 TIP3 H1 HT 0.417000 1.0080 0
+ 908 WT1 534 TIP3 H2 HT 0.417000 1.0080 0
+ 909 WT1 535 TIP3 OH2 OT -0.834000 15.9994 0
+ 910 WT1 535 TIP3 H1 HT 0.417000 1.0080 0
+ 911 WT1 535 TIP3 H2 HT 0.417000 1.0080 0
+ 912 WT1 538 TIP3 OH2 OT -0.834000 15.9994 0
+ 913 WT1 538 TIP3 H1 HT 0.417000 1.0080 0
+ 914 WT1 538 TIP3 H2 HT 0.417000 1.0080 0
+ 915 WT1 540 TIP3 OH2 OT -0.834000 15.9994 0
+ 916 WT1 540 TIP3 H1 HT 0.417000 1.0080 0
+ 917 WT1 540 TIP3 H2 HT 0.417000 1.0080 0
+ 918 WT1 543 TIP3 OH2 OT -0.834000 15.9994 0
+ 919 WT1 543 TIP3 H1 HT 0.417000 1.0080 0
+ 920 WT1 543 TIP3 H2 HT 0.417000 1.0080 0
+ 921 WT1 549 TIP3 OH2 OT -0.834000 15.9994 0
+ 922 WT1 549 TIP3 H1 HT 0.417000 1.0080 0
+ 923 WT1 549 TIP3 H2 HT 0.417000 1.0080 0
+ 924 WT1 550 TIP3 OH2 OT -0.834000 15.9994 0
+ 925 WT1 550 TIP3 H1 HT 0.417000 1.0080 0
+ 926 WT1 550 TIP3 H2 HT 0.417000 1.0080 0
+ 927 WT1 551 TIP3 OH2 OT -0.834000 15.9994 0
+ 928 WT1 551 TIP3 H1 HT 0.417000 1.0080 0
+ 929 WT1 551 TIP3 H2 HT 0.417000 1.0080 0
+ 930 WT1 552 TIP3 OH2 OT -0.834000 15.9994 0
+ 931 WT1 552 TIP3 H1 HT 0.417000 1.0080 0
+ 932 WT1 552 TIP3 H2 HT 0.417000 1.0080 0
+ 933 WT1 553 TIP3 OH2 OT -0.834000 15.9994 0
+ 934 WT1 553 TIP3 H1 HT 0.417000 1.0080 0
+ 935 WT1 553 TIP3 H2 HT 0.417000 1.0080 0
+ 936 WT1 554 TIP3 OH2 OT -0.834000 15.9994 0
+ 937 WT1 554 TIP3 H1 HT 0.417000 1.0080 0
+ 938 WT1 554 TIP3 H2 HT 0.417000 1.0080 0
+ 939 WT1 555 TIP3 OH2 OT -0.834000 15.9994 0
+ 940 WT1 555 TIP3 H1 HT 0.417000 1.0080 0
+ 941 WT1 555 TIP3 H2 HT 0.417000 1.0080 0
+ 942 WT1 556 TIP3 OH2 OT -0.834000 15.9994 0
+ 943 WT1 556 TIP3 H1 HT 0.417000 1.0080 0
+ 944 WT1 556 TIP3 H2 HT 0.417000 1.0080 0
+ 945 WT1 558 TIP3 OH2 OT -0.834000 15.9994 0
+ 946 WT1 558 TIP3 H1 HT 0.417000 1.0080 0
+ 947 WT1 558 TIP3 H2 HT 0.417000 1.0080 0
+ 948 WT1 562 TIP3 OH2 OT -0.834000 15.9994 0
+ 949 WT1 562 TIP3 H1 HT 0.417000 1.0080 0
+ 950 WT1 562 TIP3 H2 HT 0.417000 1.0080 0
+ 951 WT1 568 TIP3 OH2 OT -0.834000 15.9994 0
+ 952 WT1 568 TIP3 H1 HT 0.417000 1.0080 0
+ 953 WT1 568 TIP3 H2 HT 0.417000 1.0080 0
+ 954 WT1 570 TIP3 OH2 OT -0.834000 15.9994 0
+ 955 WT1 570 TIP3 H1 HT 0.417000 1.0080 0
+ 956 WT1 570 TIP3 H2 HT 0.417000 1.0080 0
+ 957 WT1 573 TIP3 OH2 OT -0.834000 15.9994 0
+ 958 WT1 573 TIP3 H1 HT 0.417000 1.0080 0
+ 959 WT1 573 TIP3 H2 HT 0.417000 1.0080 0
+ 960 WT1 575 TIP3 OH2 OT -0.834000 15.9994 0
+ 961 WT1 575 TIP3 H1 HT 0.417000 1.0080 0
+ 962 WT1 575 TIP3 H2 HT 0.417000 1.0080 0
+ 963 WT1 576 TIP3 OH2 OT -0.834000 15.9994 0
+ 964 WT1 576 TIP3 H1 HT 0.417000 1.0080 0
+ 965 WT1 576 TIP3 H2 HT 0.417000 1.0080 0
+ 966 WT1 578 TIP3 OH2 OT -0.834000 15.9994 0
+ 967 WT1 578 TIP3 H1 HT 0.417000 1.0080 0
+ 968 WT1 578 TIP3 H2 HT 0.417000 1.0080 0
+ 969 WT1 579 TIP3 OH2 OT -0.834000 15.9994 0
+ 970 WT1 579 TIP3 H1 HT 0.417000 1.0080 0
+ 971 WT1 579 TIP3 H2 HT 0.417000 1.0080 0
+ 972 WT1 580 TIP3 OH2 OT -0.834000 15.9994 0
+ 973 WT1 580 TIP3 H1 HT 0.417000 1.0080 0
+ 974 WT1 580 TIP3 H2 HT 0.417000 1.0080 0
+ 975 WT1 584 TIP3 OH2 OT -0.834000 15.9994 0
+ 976 WT1 584 TIP3 H1 HT 0.417000 1.0080 0
+ 977 WT1 584 TIP3 H2 HT 0.417000 1.0080 0
+ 978 WT1 588 TIP3 OH2 OT -0.834000 15.9994 0
+ 979 WT1 588 TIP3 H1 HT 0.417000 1.0080 0
+ 980 WT1 588 TIP3 H2 HT 0.417000 1.0080 0
+ 981 WT1 591 TIP3 OH2 OT -0.834000 15.9994 0
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+ 983 WT1 591 TIP3 H2 HT 0.417000 1.0080 0
+ 984 WT1 592 TIP3 OH2 OT -0.834000 15.9994 0
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+ 986 WT1 592 TIP3 H2 HT 0.417000 1.0080 0
+ 987 WT1 593 TIP3 OH2 OT -0.834000 15.9994 0
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+ 989 WT1 593 TIP3 H2 HT 0.417000 1.0080 0
+ 990 WT1 594 TIP3 OH2 OT -0.834000 15.9994 0
+ 991 WT1 594 TIP3 H1 HT 0.417000 1.0080 0
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+ 993 WT1 595 TIP3 OH2 OT -0.834000 15.9994 0
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+ 996 WT1 598 TIP3 OH2 OT -0.834000 15.9994 0
+ 997 WT1 598 TIP3 H1 HT 0.417000 1.0080 0
+ 998 WT1 598 TIP3 H2 HT 0.417000 1.0080 0
+ 999 WT1 599 TIP3 OH2 OT -0.834000 15.9994 0
+ 1000 WT1 599 TIP3 H1 HT 0.417000 1.0080 0
+ 1001 WT1 599 TIP3 H2 HT 0.417000 1.0080 0
+ 1002 WT1 600 TIP3 OH2 OT -0.834000 15.9994 0
+ 1003 WT1 600 TIP3 H1 HT 0.417000 1.0080 0
+ 1004 WT1 600 TIP3 H2 HT 0.417000 1.0080 0
+ 1005 WT1 601 TIP3 OH2 OT -0.834000 15.9994 0
+ 1006 WT1 601 TIP3 H1 HT 0.417000 1.0080 0
+ 1007 WT1 601 TIP3 H2 HT 0.417000 1.0080 0
+ 1008 WT1 602 TIP3 OH2 OT -0.834000 15.9994 0
+ 1009 WT1 602 TIP3 H1 HT 0.417000 1.0080 0
+ 1010 WT1 602 TIP3 H2 HT 0.417000 1.0080 0
+ 1011 WT1 611 TIP3 OH2 OT -0.834000 15.9994 0
+ 1012 WT1 611 TIP3 H1 HT 0.417000 1.0080 0
+ 1013 WT1 611 TIP3 H2 HT 0.417000 1.0080 0
+ 1014 WT1 612 TIP3 OH2 OT -0.834000 15.9994 0
+ 1015 WT1 612 TIP3 H1 HT 0.417000 1.0080 0
+ 1016 WT1 612 TIP3 H2 HT 0.417000 1.0080 0
+ 1017 WT1 613 TIP3 OH2 OT -0.834000 15.9994 0
+ 1018 WT1 613 TIP3 H1 HT 0.417000 1.0080 0
+ 1019 WT1 613 TIP3 H2 HT 0.417000 1.0080 0
+ 1020 WT1 615 TIP3 OH2 OT -0.834000 15.9994 0
+ 1021 WT1 615 TIP3 H1 HT 0.417000 1.0080 0
+ 1022 WT1 615 TIP3 H2 HT 0.417000 1.0080 0
+ 1023 WT1 616 TIP3 OH2 OT -0.834000 15.9994 0
+ 1024 WT1 616 TIP3 H1 HT 0.417000 1.0080 0
+ 1025 WT1 616 TIP3 H2 HT 0.417000 1.0080 0
+ 1026 WT1 618 TIP3 OH2 OT -0.834000 15.9994 0
+ 1027 WT1 618 TIP3 H1 HT 0.417000 1.0080 0
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+ 1029 WT1 619 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1032 WT1 623 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1034 WT1 623 TIP3 H2 HT 0.417000 1.0080 0
+ 1035 WT1 624 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1041 WT1 632 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1047 WT1 636 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1049 WT1 636 TIP3 H2 HT 0.417000 1.0080 0
+ 1050 WT1 637 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1053 WT1 638 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1097 WT1 679 TIP3 H2 HT 0.417000 1.0080 0
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+ 1100 WT1 680 TIP3 H2 HT 0.417000 1.0080 0
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+ 1112 WT1 687 TIP3 H2 HT 0.417000 1.0080 0
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+ 1119 WT1 701 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1131 WT1 707 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1149 WT1 722 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1155 WT1 726 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1158 WT1 733 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1160 WT1 733 TIP3 H2 HT 0.417000 1.0080 0
+ 1161 WT1 737 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1164 WT1 738 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1166 WT1 738 TIP3 H2 HT 0.417000 1.0080 0
+ 1167 WT1 740 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1170 WT1 741 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1173 WT1 743 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1176 WT1 744 TIP3 OH2 OT -0.834000 15.9994 0
+ 1177 WT1 744 TIP3 H1 HT 0.417000 1.0080 0
+ 1178 WT1 744 TIP3 H2 HT 0.417000 1.0080 0
+ 1179 WT1 745 TIP3 OH2 OT -0.834000 15.9994 0
+ 1180 WT1 745 TIP3 H1 HT 0.417000 1.0080 0
+ 1181 WT1 745 TIP3 H2 HT 0.417000 1.0080 0
+ 1182 WT1 746 TIP3 OH2 OT -0.834000 15.9994 0
+ 1183 WT1 746 TIP3 H1 HT 0.417000 1.0080 0
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+ 1185 WT1 747 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1187 WT1 747 TIP3 H2 HT 0.417000 1.0080 0
+ 1188 WT1 748 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1191 WT1 749 TIP3 OH2 OT -0.834000 15.9994 0
+ 1192 WT1 749 TIP3 H1 HT 0.417000 1.0080 0
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+ 1194 WT1 750 TIP3 OH2 OT -0.834000 15.9994 0
+ 1195 WT1 750 TIP3 H1 HT 0.417000 1.0080 0
+ 1196 WT1 750 TIP3 H2 HT 0.417000 1.0080 0
+ 1197 WT1 757 TIP3 OH2 OT -0.834000 15.9994 0
+ 1198 WT1 757 TIP3 H1 HT 0.417000 1.0080 0
+ 1199 WT1 757 TIP3 H2 HT 0.417000 1.0080 0
+ 1200 WT1 759 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1203 WT1 761 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1206 WT1 763 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1212 WT1 766 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1215 WT1 767 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1218 WT1 768 TIP3 OH2 OT -0.834000 15.9994 0
+ 1219 WT1 768 TIP3 H1 HT 0.417000 1.0080 0
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+ 1221 WT1 778 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1224 WT1 781 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1227 WT1 782 TIP3 OH2 OT -0.834000 15.9994 0
+ 1228 WT1 782 TIP3 H1 HT 0.417000 1.0080 0
+ 1229 WT1 782 TIP3 H2 HT 0.417000 1.0080 0
+ 1230 WT1 783 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1248 WT1 801 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1326 WT1 867 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1332 WT1 873 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1389 WT1 911 TIP3 OH2 OT -0.834000 15.9994 0
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+ 1515 WT1 990 TIP3 OH2 OT -0.834000 15.9994 0
+ 1516 WT1 990 TIP3 H1 HT 0.417000 1.0080 0
+ 1517 WT1 990 TIP3 H2 HT 0.417000 1.0080 0
+ 1518 WT1 991 TIP3 OH2 OT -0.834000 15.9994 0
+ 1519 WT1 991 TIP3 H1 HT 0.417000 1.0080 0
+ 1520 WT1 991 TIP3 H2 HT 0.417000 1.0080 0
+ 1521 WT1 992 TIP3 OH2 OT -0.834000 15.9994 0
+ 1522 WT1 992 TIP3 H1 HT 0.417000 1.0080 0
+ 1523 WT1 992 TIP3 H2 HT 0.417000 1.0080 0
+ 1524 WT1 994 TIP3 OH2 OT -0.834000 15.9994 0
+ 1525 WT1 994 TIP3 H1 HT 0.417000 1.0080 0
+ 1526 WT1 994 TIP3 H2 HT 0.417000 1.0080 0
+ 1527 WT1 995 TIP3 OH2 OT -0.834000 15.9994 0
+ 1528 WT1 995 TIP3 H1 HT 0.417000 1.0080 0
+ 1529 WT1 995 TIP3 H2 HT 0.417000 1.0080 0
+ 1530 WT1 996 TIP3 OH2 OT -0.834000 15.9994 0
+ 1531 WT1 996 TIP3 H1 HT 0.417000 1.0080 0
+ 1532 WT1 996 TIP3 H2 HT 0.417000 1.0080 0
+ 1533 WT1 1007 TIP3 OH2 OT -0.834000 15.9994 0
+ 1534 WT1 1007 TIP3 H1 HT 0.417000 1.0080 0
+ 1535 WT1 1007 TIP3 H2 HT 0.417000 1.0080 0
+ 1536 WT1 1011 TIP3 OH2 OT -0.834000 15.9994 0
+ 1537 WT1 1011 TIP3 H1 HT 0.417000 1.0080 0
+ 1538 WT1 1011 TIP3 H2 HT 0.417000 1.0080 0
+ 1539 WT1 1012 TIP3 OH2 OT -0.834000 15.9994 0
+ 1540 WT1 1012 TIP3 H1 HT 0.417000 1.0080 0
+ 1541 WT1 1012 TIP3 H2 HT 0.417000 1.0080 0
+ 1542 WT1 1013 TIP3 OH2 OT -0.834000 15.9994 0
+ 1543 WT1 1013 TIP3 H1 HT 0.417000 1.0080 0
+ 1544 WT1 1013 TIP3 H2 HT 0.417000 1.0080 0
+ 1545 WT1 1014 TIP3 OH2 OT -0.834000 15.9994 0
+ 1546 WT1 1014 TIP3 H1 HT 0.417000 1.0080 0
+ 1547 WT1 1014 TIP3 H2 HT 0.417000 1.0080 0
+ 1548 WT1 1017 TIP3 OH2 OT -0.834000 15.9994 0
+ 1549 WT1 1017 TIP3 H1 HT 0.417000 1.0080 0
+ 1550 WT1 1017 TIP3 H2 HT 0.417000 1.0080 0
+ 1551 WT1 1018 TIP3 OH2 OT -0.834000 15.9994 0
+ 1552 WT1 1018 TIP3 H1 HT 0.417000 1.0080 0
+ 1553 WT1 1018 TIP3 H2 HT 0.417000 1.0080 0
+ 1554 WT1 1020 TIP3 OH2 OT -0.834000 15.9994 0
+ 1555 WT1 1020 TIP3 H1 HT 0.417000 1.0080 0
+ 1556 WT1 1020 TIP3 H2 HT 0.417000 1.0080 0
+ 1557 WT1 1022 TIP3 OH2 OT -0.834000 15.9994 0
+ 1558 WT1 1022 TIP3 H1 HT 0.417000 1.0080 0
+ 1559 WT1 1022 TIP3 H2 HT 0.417000 1.0080 0
+ 1560 WT1 1027 TIP3 OH2 OT -0.834000 15.9994 0
+ 1561 WT1 1027 TIP3 H1 HT 0.417000 1.0080 0
+ 1562 WT1 1027 TIP3 H2 HT 0.417000 1.0080 0
+ 1563 WT1 1032 TIP3 OH2 OT -0.834000 15.9994 0
+ 1564 WT1 1032 TIP3 H1 HT 0.417000 1.0080 0
+ 1565 WT1 1032 TIP3 H2 HT 0.417000 1.0080 0
+ 1566 WT1 1033 TIP3 OH2 OT -0.834000 15.9994 0
+ 1567 WT1 1033 TIP3 H1 HT 0.417000 1.0080 0
+ 1568 WT1 1033 TIP3 H2 HT 0.417000 1.0080 0
+ 1569 WT1 1039 TIP3 OH2 OT -0.834000 15.9994 0
+ 1570 WT1 1039 TIP3 H1 HT 0.417000 1.0080 0
+ 1571 WT1 1039 TIP3 H2 HT 0.417000 1.0080 0
+ 1572 WT1 1040 TIP3 OH2 OT -0.834000 15.9994 0
+ 1573 WT1 1040 TIP3 H1 HT 0.417000 1.0080 0
+ 1574 WT1 1040 TIP3 H2 HT 0.417000 1.0080 0
+ 1575 WT1 1042 TIP3 OH2 OT -0.834000 15.9994 0
+ 1576 WT1 1042 TIP3 H1 HT 0.417000 1.0080 0
+ 1577 WT1 1042 TIP3 H2 HT 0.417000 1.0080 0
+ 1578 WT1 1043 TIP3 OH2 OT -0.834000 15.9994 0
+ 1579 WT1 1043 TIP3 H1 HT 0.417000 1.0080 0
+ 1580 WT1 1043 TIP3 H2 HT 0.417000 1.0080 0
+ 1581 WT1 1053 TIP3 OH2 OT -0.834000 15.9994 0
+ 1582 WT1 1053 TIP3 H1 HT 0.417000 1.0080 0
+ 1583 WT1 1053 TIP3 H2 HT 0.417000 1.0080 0
+ 1584 WT1 1055 TIP3 OH2 OT -0.834000 15.9994 0
+ 1585 WT1 1055 TIP3 H1 HT 0.417000 1.0080 0
+ 1586 WT1 1055 TIP3 H2 HT 0.417000 1.0080 0
+ 1587 WT1 1057 TIP3 OH2 OT -0.834000 15.9994 0
+ 1588 WT1 1057 TIP3 H1 HT 0.417000 1.0080 0
+ 1589 WT1 1057 TIP3 H2 HT 0.417000 1.0080 0
+ 1590 WT1 1058 TIP3 OH2 OT -0.834000 15.9994 0
+ 1591 WT1 1058 TIP3 H1 HT 0.417000 1.0080 0
+ 1592 WT1 1058 TIP3 H2 HT 0.417000 1.0080 0
+ 1593 WT1 1059 TIP3 OH2 OT -0.834000 15.9994 0
+ 1594 WT1 1059 TIP3 H1 HT 0.417000 1.0080 0
+ 1595 WT1 1059 TIP3 H2 HT 0.417000 1.0080 0
+ 1596 WT1 1060 TIP3 OH2 OT -0.834000 15.9994 0
+ 1597 WT1 1060 TIP3 H1 HT 0.417000 1.0080 0
+ 1598 WT1 1060 TIP3 H2 HT 0.417000 1.0080 0
+ 1599 WT1 1061 TIP3 OH2 OT -0.834000 15.9994 0
+ 1600 WT1 1061 TIP3 H1 HT 0.417000 1.0080 0
+ 1601 WT1 1061 TIP3 H2 HT 0.417000 1.0080 0
+ 1602 WT1 1062 TIP3 OH2 OT -0.834000 15.9994 0
+ 1603 WT1 1062 TIP3 H1 HT 0.417000 1.0080 0
+ 1604 WT1 1062 TIP3 H2 HT 0.417000 1.0080 0
+ 1605 WT1 1063 TIP3 OH2 OT -0.834000 15.9994 0
+ 1606 WT1 1063 TIP3 H1 HT 0.417000 1.0080 0
+ 1607 WT1 1063 TIP3 H2 HT 0.417000 1.0080 0
+ 1608 WT1 1065 TIP3 OH2 OT -0.834000 15.9994 0
+ 1609 WT1 1065 TIP3 H1 HT 0.417000 1.0080 0
+ 1610 WT1 1065 TIP3 H2 HT 0.417000 1.0080 0
+ 1611 WT1 1066 TIP3 OH2 OT -0.834000 15.9994 0
+ 1612 WT1 1066 TIP3 H1 HT 0.417000 1.0080 0
+ 1613 WT1 1066 TIP3 H2 HT 0.417000 1.0080 0
+ 1614 WT1 1072 TIP3 OH2 OT -0.834000 15.9994 0
+ 1615 WT1 1072 TIP3 H1 HT 0.417000 1.0080 0
+ 1616 WT1 1072 TIP3 H2 HT 0.417000 1.0080 0
+ 1617 WT1 1076 TIP3 OH2 OT -0.834000 15.9994 0
+ 1618 WT1 1076 TIP3 H1 HT 0.417000 1.0080 0
+ 1619 WT1 1076 TIP3 H2 HT 0.417000 1.0080 0
+ 1620 WT1 1077 TIP3 OH2 OT -0.834000 15.9994 0
+ 1621 WT1 1077 TIP3 H1 HT 0.417000 1.0080 0
+ 1622 WT1 1077 TIP3 H2 HT 0.417000 1.0080 0
+ 1623 WT1 1078 TIP3 OH2 OT -0.834000 15.9994 0
+ 1624 WT1 1078 TIP3 H1 HT 0.417000 1.0080 0
+ 1625 WT1 1078 TIP3 H2 HT 0.417000 1.0080 0
+ 1626 WT1 1080 TIP3 OH2 OT -0.834000 15.9994 0
+ 1627 WT1 1080 TIP3 H1 HT 0.417000 1.0080 0
+ 1628 WT1 1080 TIP3 H2 HT 0.417000 1.0080 0
+ 1629 WT1 1081 TIP3 OH2 OT -0.834000 15.9994 0
+ 1630 WT1 1081 TIP3 H1 HT 0.417000 1.0080 0
+ 1631 WT1 1081 TIP3 H2 HT 0.417000 1.0080 0
+ 1632 WT1 1082 TIP3 OH2 OT -0.834000 15.9994 0
+ 1633 WT1 1082 TIP3 H1 HT 0.417000 1.0080 0
+ 1634 WT1 1082 TIP3 H2 HT 0.417000 1.0080 0
+ 1635 WT1 1083 TIP3 OH2 OT -0.834000 15.9994 0
+ 1636 WT1 1083 TIP3 H1 HT 0.417000 1.0080 0
+ 1637 WT1 1083 TIP3 H2 HT 0.417000 1.0080 0
+ 1638 WT1 1085 TIP3 OH2 OT -0.834000 15.9994 0
+ 1639 WT1 1085 TIP3 H1 HT 0.417000 1.0080 0
+ 1640 WT1 1085 TIP3 H2 HT 0.417000 1.0080 0
+ 1641 WT1 1087 TIP3 OH2 OT -0.834000 15.9994 0
+ 1642 WT1 1087 TIP3 H1 HT 0.417000 1.0080 0
+ 1643 WT1 1087 TIP3 H2 HT 0.417000 1.0080 0
+ 1644 WT1 1090 TIP3 OH2 OT -0.834000 15.9994 0
+ 1645 WT1 1090 TIP3 H1 HT 0.417000 1.0080 0
+ 1646 WT1 1090 TIP3 H2 HT 0.417000 1.0080 0
+ 1647 WT1 1096 TIP3 OH2 OT -0.834000 15.9994 0
+ 1648 WT1 1096 TIP3 H1 HT 0.417000 1.0080 0
+ 1649 WT1 1096 TIP3 H2 HT 0.417000 1.0080 0
+ 1650 WT1 1097 TIP3 OH2 OT -0.834000 15.9994 0
+ 1651 WT1 1097 TIP3 H1 HT 0.417000 1.0080 0
+ 1652 WT1 1097 TIP3 H2 HT 0.417000 1.0080 0
+ 1653 WT1 1098 TIP3 OH2 OT -0.834000 15.9994 0
+ 1654 WT1 1098 TIP3 H1 HT 0.417000 1.0080 0
+ 1655 WT1 1098 TIP3 H2 HT 0.417000 1.0080 0
+ 1656 WT1 1099 TIP3 OH2 OT -0.834000 15.9994 0
+ 1657 WT1 1099 TIP3 H1 HT 0.417000 1.0080 0
+ 1658 WT1 1099 TIP3 H2 HT 0.417000 1.0080 0
+ 1659 WT1 1100 TIP3 OH2 OT -0.834000 15.9994 0
+ 1660 WT1 1100 TIP3 H1 HT 0.417000 1.0080 0
+ 1661 WT1 1100 TIP3 H2 HT 0.417000 1.0080 0
+ 1662 WT1 1101 TIP3 OH2 OT -0.834000 15.9994 0
+ 1663 WT1 1101 TIP3 H1 HT 0.417000 1.0080 0
+ 1664 WT1 1101 TIP3 H2 HT 0.417000 1.0080 0
+ 1665 WT1 1102 TIP3 OH2 OT -0.834000 15.9994 0
+ 1666 WT1 1102 TIP3 H1 HT 0.417000 1.0080 0
+ 1667 WT1 1102 TIP3 H2 HT 0.417000 1.0080 0
+ 1668 WT1 1103 TIP3 OH2 OT -0.834000 15.9994 0
+ 1669 WT1 1103 TIP3 H1 HT 0.417000 1.0080 0
+ 1670 WT1 1103 TIP3 H2 HT 0.417000 1.0080 0
+ 1671 WT1 1104 TIP3 OH2 OT -0.834000 15.9994 0
+ 1672 WT1 1104 TIP3 H1 HT 0.417000 1.0080 0
+ 1673 WT1 1104 TIP3 H2 HT 0.417000 1.0080 0
+ 1674 WT1 1105 TIP3 OH2 OT -0.834000 15.9994 0
+ 1675 WT1 1105 TIP3 H1 HT 0.417000 1.0080 0
+ 1676 WT1 1105 TIP3 H2 HT 0.417000 1.0080 0
+ 1677 WT1 1107 TIP3 OH2 OT -0.834000 15.9994 0
+ 1678 WT1 1107 TIP3 H1 HT 0.417000 1.0080 0
+ 1679 WT1 1107 TIP3 H2 HT 0.417000 1.0080 0
+ 1680 WT1 1112 TIP3 OH2 OT -0.834000 15.9994 0
+ 1681 WT1 1112 TIP3 H1 HT 0.417000 1.0080 0
+ 1682 WT1 1112 TIP3 H2 HT 0.417000 1.0080 0
+ 1683 WT1 1113 TIP3 OH2 OT -0.834000 15.9994 0
+ 1684 WT1 1113 TIP3 H1 HT 0.417000 1.0080 0
+ 1685 WT1 1113 TIP3 H2 HT 0.417000 1.0080 0
+ 1686 WT1 1115 TIP3 OH2 OT -0.834000 15.9994 0
+ 1687 WT1 1115 TIP3 H1 HT 0.417000 1.0080 0
+ 1688 WT1 1115 TIP3 H2 HT 0.417000 1.0080 0
+ 1689 WT1 1116 TIP3 OH2 OT -0.834000 15.9994 0
+ 1690 WT1 1116 TIP3 H1 HT 0.417000 1.0080 0
+ 1691 WT1 1116 TIP3 H2 HT 0.417000 1.0080 0
+ 1692 WT1 1117 TIP3 OH2 OT -0.834000 15.9994 0
+ 1693 WT1 1117 TIP3 H1 HT 0.417000 1.0080 0
+ 1694 WT1 1117 TIP3 H2 HT 0.417000 1.0080 0
+ 1695 WT1 1118 TIP3 OH2 OT -0.834000 15.9994 0
+ 1696 WT1 1118 TIP3 H1 HT 0.417000 1.0080 0
+ 1697 WT1 1118 TIP3 H2 HT 0.417000 1.0080 0
+ 1698 WT1 1120 TIP3 OH2 OT -0.834000 15.9994 0
+ 1699 WT1 1120 TIP3 H1 HT 0.417000 1.0080 0
+ 1700 WT1 1120 TIP3 H2 HT 0.417000 1.0080 0
+ 1701 WT1 1121 TIP3 OH2 OT -0.834000 15.9994 0
+ 1702 WT1 1121 TIP3 H1 HT 0.417000 1.0080 0
+ 1703 WT1 1121 TIP3 H2 HT 0.417000 1.0080 0
+ 1704 WT1 1123 TIP3 OH2 OT -0.834000 15.9994 0
+ 1705 WT1 1123 TIP3 H1 HT 0.417000 1.0080 0
+ 1706 WT1 1123 TIP3 H2 HT 0.417000 1.0080 0
+ 1707 WT1 1125 TIP3 OH2 OT -0.834000 15.9994 0
+ 1708 WT1 1125 TIP3 H1 HT 0.417000 1.0080 0
+ 1709 WT1 1125 TIP3 H2 HT 0.417000 1.0080 0
+ 1710 WT1 1128 TIP3 OH2 OT -0.834000 15.9994 0
+ 1711 WT1 1128 TIP3 H1 HT 0.417000 1.0080 0
+ 1712 WT1 1128 TIP3 H2 HT 0.417000 1.0080 0
+ 1713 WT1 1134 TIP3 OH2 OT -0.834000 15.9994 0
+ 1714 WT1 1134 TIP3 H1 HT 0.417000 1.0080 0
+ 1715 WT1 1134 TIP3 H2 HT 0.417000 1.0080 0
+ 1716 WT1 1135 TIP3 OH2 OT -0.834000 15.9994 0
+ 1717 WT1 1135 TIP3 H1 HT 0.417000 1.0080 0
+ 1718 WT1 1135 TIP3 H2 HT 0.417000 1.0080 0
+ 1719 WT1 1137 TIP3 OH2 OT -0.834000 15.9994 0
+ 1720 WT1 1137 TIP3 H1 HT 0.417000 1.0080 0
+ 1721 WT1 1137 TIP3 H2 HT 0.417000 1.0080 0
+ 1722 WT1 1139 TIP3 OH2 OT -0.834000 15.9994 0
+ 1723 WT1 1139 TIP3 H1 HT 0.417000 1.0080 0
+ 1724 WT1 1139 TIP3 H2 HT 0.417000 1.0080 0
+ 1725 WT1 1140 TIP3 OH2 OT -0.834000 15.9994 0
+ 1726 WT1 1140 TIP3 H1 HT 0.417000 1.0080 0
+ 1727 WT1 1140 TIP3 H2 HT 0.417000 1.0080 0
+ 1728 WT1 1143 TIP3 OH2 OT -0.834000 15.9994 0
+ 1729 WT1 1143 TIP3 H1 HT 0.417000 1.0080 0
+ 1730 WT1 1143 TIP3 H2 HT 0.417000 1.0080 0
+ 1731 WT1 1144 TIP3 OH2 OT -0.834000 15.9994 0
+ 1732 WT1 1144 TIP3 H1 HT 0.417000 1.0080 0
+ 1733 WT1 1144 TIP3 H2 HT 0.417000 1.0080 0
+ 1734 WT1 1145 TIP3 OH2 OT -0.834000 15.9994 0
+ 1735 WT1 1145 TIP3 H1 HT 0.417000 1.0080 0
+ 1736 WT1 1145 TIP3 H2 HT 0.417000 1.0080 0
+ 1737 WT1 1147 TIP3 OH2 OT -0.834000 15.9994 0
+ 1738 WT1 1147 TIP3 H1 HT 0.417000 1.0080 0
+ 1739 WT1 1147 TIP3 H2 HT 0.417000 1.0080 0
+ 1740 WT1 1148 TIP3 OH2 OT -0.834000 15.9994 0
+ 1741 WT1 1148 TIP3 H1 HT 0.417000 1.0080 0
+ 1742 WT1 1148 TIP3 H2 HT 0.417000 1.0080 0
+ 1743 WT1 1150 TIP3 OH2 OT -0.834000 15.9994 0
+ 1744 WT1 1150 TIP3 H1 HT 0.417000 1.0080 0
+ 1745 WT1 1150 TIP3 H2 HT 0.417000 1.0080 0
+ 1746 WT1 1155 TIP3 OH2 OT -0.834000 15.9994 0
+ 1747 WT1 1155 TIP3 H1 HT 0.417000 1.0080 0
+ 1748 WT1 1155 TIP3 H2 HT 0.417000 1.0080 0
+ 1749 WT1 1157 TIP3 OH2 OT -0.834000 15.9994 0
+ 1750 WT1 1157 TIP3 H1 HT 0.417000 1.0080 0
+ 1751 WT1 1157 TIP3 H2 HT 0.417000 1.0080 0
+ 1752 WT1 1158 TIP3 OH2 OT -0.834000 15.9994 0
+ 1753 WT1 1158 TIP3 H1 HT 0.417000 1.0080 0
+ 1754 WT1 1158 TIP3 H2 HT 0.417000 1.0080 0
+ 1755 WT1 1160 TIP3 OH2 OT -0.834000 15.9994 0
+ 1756 WT1 1160 TIP3 H1 HT 0.417000 1.0080 0
+ 1757 WT1 1160 TIP3 H2 HT 0.417000 1.0080 0
+ 1758 WT1 1161 TIP3 OH2 OT -0.834000 15.9994 0
+ 1759 WT1 1161 TIP3 H1 HT 0.417000 1.0080 0
+ 1760 WT1 1161 TIP3 H2 HT 0.417000 1.0080 0
+ 1761 WT1 1162 TIP3 OH2 OT -0.834000 15.9994 0
+ 1762 WT1 1162 TIP3 H1 HT 0.417000 1.0080 0
+ 1763 WT1 1162 TIP3 H2 HT 0.417000 1.0080 0
+ 1764 WT1 1163 TIP3 OH2 OT -0.834000 15.9994 0
+ 1765 WT1 1163 TIP3 H1 HT 0.417000 1.0080 0
+ 1766 WT1 1163 TIP3 H2 HT 0.417000 1.0080 0
+ 1767 WT1 1164 TIP3 OH2 OT -0.834000 15.9994 0
+ 1768 WT1 1164 TIP3 H1 HT 0.417000 1.0080 0
+ 1769 WT1 1164 TIP3 H2 HT 0.417000 1.0080 0
+ 1770 WT1 1166 TIP3 OH2 OT -0.834000 15.9994 0
+ 1771 WT1 1166 TIP3 H1 HT 0.417000 1.0080 0
+ 1772 WT1 1166 TIP3 H2 HT 0.417000 1.0080 0
+ 1773 WT1 1167 TIP3 OH2 OT -0.834000 15.9994 0
+ 1774 WT1 1167 TIP3 H1 HT 0.417000 1.0080 0
+ 1775 WT1 1167 TIP3 H2 HT 0.417000 1.0080 0
+ 1776 WT1 1168 TIP3 OH2 OT -0.834000 15.9994 0
+ 1777 WT1 1168 TIP3 H1 HT 0.417000 1.0080 0
+ 1778 WT1 1168 TIP3 H2 HT 0.417000 1.0080 0
+ 1779 WT1 1177 TIP3 OH2 OT -0.834000 15.9994 0
+ 1780 WT1 1177 TIP3 H1 HT 0.417000 1.0080 0
+ 1781 WT1 1177 TIP3 H2 HT 0.417000 1.0080 0
+ 1782 WT1 1178 TIP3 OH2 OT -0.834000 15.9994 0
+ 1783 WT1 1178 TIP3 H1 HT 0.417000 1.0080 0
+ 1784 WT1 1178 TIP3 H2 HT 0.417000 1.0080 0
+ 1785 WT1 1179 TIP3 OH2 OT -0.834000 15.9994 0
+ 1786 WT1 1179 TIP3 H1 HT 0.417000 1.0080 0
+ 1787 WT1 1179 TIP3 H2 HT 0.417000 1.0080 0
+ 1788 WT1 1180 TIP3 OH2 OT -0.834000 15.9994 0
+ 1789 WT1 1180 TIP3 H1 HT 0.417000 1.0080 0
+ 1790 WT1 1180 TIP3 H2 HT 0.417000 1.0080 0
+ 1791 WT1 1181 TIP3 OH2 OT -0.834000 15.9994 0
+ 1792 WT1 1181 TIP3 H1 HT 0.417000 1.0080 0
+ 1793 WT1 1181 TIP3 H2 HT 0.417000 1.0080 0
+ 1794 WT1 1182 TIP3 OH2 OT -0.834000 15.9994 0
+ 1795 WT1 1182 TIP3 H1 HT 0.417000 1.0080 0
+ 1796 WT1 1182 TIP3 H2 HT 0.417000 1.0080 0
+ 1797 WT1 1183 TIP3 OH2 OT -0.834000 15.9994 0
+ 1798 WT1 1183 TIP3 H1 HT 0.417000 1.0080 0
+ 1799 WT1 1183 TIP3 H2 HT 0.417000 1.0080 0
+ 1800 WT1 1184 TIP3 OH2 OT -0.834000 15.9994 0
+ 1801 WT1 1184 TIP3 H1 HT 0.417000 1.0080 0
+ 1802 WT1 1184 TIP3 H2 HT 0.417000 1.0080 0
+ 1803 WT1 1186 TIP3 OH2 OT -0.834000 15.9994 0
+ 1804 WT1 1186 TIP3 H1 HT 0.417000 1.0080 0
+ 1805 WT1 1186 TIP3 H2 HT 0.417000 1.0080 0
+ 1806 WT1 1187 TIP3 OH2 OT -0.834000 15.9994 0
+ 1807 WT1 1187 TIP3 H1 HT 0.417000 1.0080 0
+ 1808 WT1 1187 TIP3 H2 HT 0.417000 1.0080 0
+ 1809 WT1 1188 TIP3 OH2 OT -0.834000 15.9994 0
+ 1810 WT1 1188 TIP3 H1 HT 0.417000 1.0080 0
+ 1811 WT1 1188 TIP3 H2 HT 0.417000 1.0080 0
+ 1812 WT1 1194 TIP3 OH2 OT -0.834000 15.9994 0
+ 1813 WT1 1194 TIP3 H1 HT 0.417000 1.0080 0
+ 1814 WT1 1194 TIP3 H2 HT 0.417000 1.0080 0
+ 1815 WT1 1197 TIP3 OH2 OT -0.834000 15.9994 0
+ 1816 WT1 1197 TIP3 H1 HT 0.417000 1.0080 0
+ 1817 WT1 1197 TIP3 H2 HT 0.417000 1.0080 0
+ 1818 WT1 1200 TIP3 OH2 OT -0.834000 15.9994 0
+ 1819 WT1 1200 TIP3 H1 HT 0.417000 1.0080 0
+ 1820 WT1 1200 TIP3 H2 HT 0.417000 1.0080 0
+ 1821 WT1 1201 TIP3 OH2 OT -0.834000 15.9994 0
+ 1822 WT1 1201 TIP3 H1 HT 0.417000 1.0080 0
+ 1823 WT1 1201 TIP3 H2 HT 0.417000 1.0080 0
+ 1824 WT1 1204 TIP3 OH2 OT -0.834000 15.9994 0
+ 1825 WT1 1204 TIP3 H1 HT 0.417000 1.0080 0
+ 1826 WT1 1204 TIP3 H2 HT 0.417000 1.0080 0
+ 1827 WT1 1206 TIP3 OH2 OT -0.834000 15.9994 0
+ 1828 WT1 1206 TIP3 H1 HT 0.417000 1.0080 0
+ 1829 WT1 1206 TIP3 H2 HT 0.417000 1.0080 0
+ 1830 WT1 1207 TIP3 OH2 OT -0.834000 15.9994 0
+ 1831 WT1 1207 TIP3 H1 HT 0.417000 1.0080 0
+ 1832 WT1 1207 TIP3 H2 HT 0.417000 1.0080 0
+ 1833 WT1 1211 TIP3 OH2 OT -0.834000 15.9994 0
+ 1834 WT1 1211 TIP3 H1 HT 0.417000 1.0080 0
+ 1835 WT1 1211 TIP3 H2 HT 0.417000 1.0080 0
+ 1836 WT1 1212 TIP3 OH2 OT -0.834000 15.9994 0
+ 1837 WT1 1212 TIP3 H1 HT 0.417000 1.0080 0
+ 1838 WT1 1212 TIP3 H2 HT 0.417000 1.0080 0
+ 1839 WT1 1214 TIP3 OH2 OT -0.834000 15.9994 0
+ 1840 WT1 1214 TIP3 H1 HT 0.417000 1.0080 0
+ 1841 WT1 1214 TIP3 H2 HT 0.417000 1.0080 0
+ 1842 WT1 1215 TIP3 OH2 OT -0.834000 15.9994 0
+ 1843 WT1 1215 TIP3 H1 HT 0.417000 1.0080 0
+ 1844 WT1 1215 TIP3 H2 HT 0.417000 1.0080 0
+ 1845 WT1 1217 TIP3 OH2 OT -0.834000 15.9994 0
+ 1846 WT1 1217 TIP3 H1 HT 0.417000 1.0080 0
+ 1847 WT1 1217 TIP3 H2 HT 0.417000 1.0080 0
+ 1848 WT1 1219 TIP3 OH2 OT -0.834000 15.9994 0
+ 1849 WT1 1219 TIP3 H1 HT 0.417000 1.0080 0
+ 1850 WT1 1219 TIP3 H2 HT 0.417000 1.0080 0
+ 1851 WT1 1220 TIP3 OH2 OT -0.834000 15.9994 0
+ 1852 WT1 1220 TIP3 H1 HT 0.417000 1.0080 0
+ 1853 WT1 1220 TIP3 H2 HT 0.417000 1.0080 0
+ 1854 WT1 1222 TIP3 OH2 OT -0.834000 15.9994 0
+ 1855 WT1 1222 TIP3 H1 HT 0.417000 1.0080 0
+ 1856 WT1 1222 TIP3 H2 HT 0.417000 1.0080 0
+ 1857 WT1 1223 TIP3 OH2 OT -0.834000 15.9994 0
+ 1858 WT1 1223 TIP3 H1 HT 0.417000 1.0080 0
+ 1859 WT1 1223 TIP3 H2 HT 0.417000 1.0080 0
+ 1860 WT1 1224 TIP3 OH2 OT -0.834000 15.9994 0
+ 1861 WT1 1224 TIP3 H1 HT 0.417000 1.0080 0
+ 1862 WT1 1224 TIP3 H2 HT 0.417000 1.0080 0
+ 1863 WT1 1225 TIP3 OH2 OT -0.834000 15.9994 0
+ 1864 WT1 1225 TIP3 H1 HT 0.417000 1.0080 0
+ 1865 WT1 1225 TIP3 H2 HT 0.417000 1.0080 0
+ 1866 WT1 1226 TIP3 OH2 OT -0.834000 15.9994 0
+ 1867 WT1 1226 TIP3 H1 HT 0.417000 1.0080 0
+ 1868 WT1 1226 TIP3 H2 HT 0.417000 1.0080 0
+ 1869 WT1 1229 TIP3 OH2 OT -0.834000 15.9994 0
+ 1870 WT1 1229 TIP3 H1 HT 0.417000 1.0080 0
+ 1871 WT1 1229 TIP3 H2 HT 0.417000 1.0080 0
+ 1872 WT1 1230 TIP3 OH2 OT -0.834000 15.9994 0
+ 1873 WT1 1230 TIP3 H1 HT 0.417000 1.0080 0
+ 1874 WT1 1230 TIP3 H2 HT 0.417000 1.0080 0
+ 1875 WT1 1234 TIP3 OH2 OT -0.834000 15.9994 0
+ 1876 WT1 1234 TIP3 H1 HT 0.417000 1.0080 0
+ 1877 WT1 1234 TIP3 H2 HT 0.417000 1.0080 0
+ 1878 WT1 1240 TIP3 OH2 OT -0.834000 15.9994 0
+ 1879 WT1 1240 TIP3 H1 HT 0.417000 1.0080 0
+ 1880 WT1 1240 TIP3 H2 HT 0.417000 1.0080 0
+ 1881 WT1 1242 TIP3 OH2 OT -0.834000 15.9994 0
+ 1882 WT1 1242 TIP3 H1 HT 0.417000 1.0080 0
+ 1883 WT1 1242 TIP3 H2 HT 0.417000 1.0080 0
+ 1884 WT1 1244 TIP3 OH2 OT -0.834000 15.9994 0
+ 1885 WT1 1244 TIP3 H1 HT 0.417000 1.0080 0
+ 1886 WT1 1244 TIP3 H2 HT 0.417000 1.0080 0
+ 1887 WT1 1247 TIP3 OH2 OT -0.834000 15.9994 0
+ 1888 WT1 1247 TIP3 H1 HT 0.417000 1.0080 0
+ 1889 WT1 1247 TIP3 H2 HT 0.417000 1.0080 0
+ 1890 WT1 1248 TIP3 OH2 OT -0.834000 15.9994 0
+ 1891 WT1 1248 TIP3 H1 HT 0.417000 1.0080 0
+ 1892 WT1 1248 TIP3 H2 HT 0.417000 1.0080 0
+ 1893 WT1 1249 TIP3 OH2 OT -0.834000 15.9994 0
+ 1894 WT1 1249 TIP3 H1 HT 0.417000 1.0080 0
+ 1895 WT1 1249 TIP3 H2 HT 0.417000 1.0080 0
+ 1896 WT1 1251 TIP3 OH2 OT -0.834000 15.9994 0
+ 1897 WT1 1251 TIP3 H1 HT 0.417000 1.0080 0
+ 1898 WT1 1251 TIP3 H2 HT 0.417000 1.0080 0
+ 1899 WT1 1256 TIP3 OH2 OT -0.834000 15.9994 0
+ 1900 WT1 1256 TIP3 H1 HT 0.417000 1.0080 0
+ 1901 WT1 1256 TIP3 H2 HT 0.417000 1.0080 0
+ 1902 WT1 1258 TIP3 OH2 OT -0.834000 15.9994 0
+ 1903 WT1 1258 TIP3 H1 HT 0.417000 1.0080 0
+ 1904 WT1 1258 TIP3 H2 HT 0.417000 1.0080 0
+ 1905 WT1 1263 TIP3 OH2 OT -0.834000 15.9994 0
+ 1906 WT1 1263 TIP3 H1 HT 0.417000 1.0080 0
+ 1907 WT1 1263 TIP3 H2 HT 0.417000 1.0080 0
+ 1908 WT1 1265 TIP3 OH2 OT -0.834000 15.9994 0
+ 1909 WT1 1265 TIP3 H1 HT 0.417000 1.0080 0
+ 1910 WT1 1265 TIP3 H2 HT 0.417000 1.0080 0
+ 1911 WT1 1266 TIP3 OH2 OT -0.834000 15.9994 0
+ 1912 WT1 1266 TIP3 H1 HT 0.417000 1.0080 0
+ 1913 WT1 1266 TIP3 H2 HT 0.417000 1.0080 0
+ 1914 WT1 1267 TIP3 OH2 OT -0.834000 15.9994 0
+ 1915 WT1 1267 TIP3 H1 HT 0.417000 1.0080 0
+ 1916 WT1 1267 TIP3 H2 HT 0.417000 1.0080 0
+ 1917 WT1 1269 TIP3 OH2 OT -0.834000 15.9994 0
+ 1918 WT1 1269 TIP3 H1 HT 0.417000 1.0080 0
+ 1919 WT1 1269 TIP3 H2 HT 0.417000 1.0080 0
+ 1920 WT1 1270 TIP3 OH2 OT -0.834000 15.9994 0
+ 1921 WT1 1270 TIP3 H1 HT 0.417000 1.0080 0
+ 1922 WT1 1270 TIP3 H2 HT 0.417000 1.0080 0
+ 1923 WT1 1272 TIP3 OH2 OT -0.834000 15.9994 0
+ 1924 WT1 1272 TIP3 H1 HT 0.417000 1.0080 0
+ 1925 WT1 1272 TIP3 H2 HT 0.417000 1.0080 0
+ 1926 WT1 1274 TIP3 OH2 OT -0.834000 15.9994 0
+ 1927 WT1 1274 TIP3 H1 HT 0.417000 1.0080 0
+ 1928 WT1 1274 TIP3 H2 HT 0.417000 1.0080 0
+ 1929 WT1 1278 TIP3 OH2 OT -0.834000 15.9994 0
+ 1930 WT1 1278 TIP3 H1 HT 0.417000 1.0080 0
+ 1931 WT1 1278 TIP3 H2 HT 0.417000 1.0080 0
+ 1932 WT1 1281 TIP3 OH2 OT -0.834000 15.9994 0
+ 1933 WT1 1281 TIP3 H1 HT 0.417000 1.0080 0
+ 1934 WT1 1281 TIP3 H2 HT 0.417000 1.0080 0
+ 1935 WT1 1284 TIP3 OH2 OT -0.834000 15.9994 0
+ 1936 WT1 1284 TIP3 H1 HT 0.417000 1.0080 0
+ 1937 WT1 1284 TIP3 H2 HT 0.417000 1.0080 0
+ 1938 WT1 1285 TIP3 OH2 OT -0.834000 15.9994 0
+ 1939 WT1 1285 TIP3 H1 HT 0.417000 1.0080 0
+ 1940 WT1 1285 TIP3 H2 HT 0.417000 1.0080 0
+ 1941 WT1 1287 TIP3 OH2 OT -0.834000 15.9994 0
+ 1942 WT1 1287 TIP3 H1 HT 0.417000 1.0080 0
+ 1943 WT1 1287 TIP3 H2 HT 0.417000 1.0080 0
+ 1944 WT1 1289 TIP3 OH2 OT -0.834000 15.9994 0
+ 1945 WT1 1289 TIP3 H1 HT 0.417000 1.0080 0
+ 1946 WT1 1289 TIP3 H2 HT 0.417000 1.0080 0
+ 1947 WT1 1290 TIP3 OH2 OT -0.834000 15.9994 0
+ 1948 WT1 1290 TIP3 H1 HT 0.417000 1.0080 0
+ 1949 WT1 1290 TIP3 H2 HT 0.417000 1.0080 0
+ 1950 WT1 1291 TIP3 OH2 OT -0.834000 15.9994 0
+ 1951 WT1 1291 TIP3 H1 HT 0.417000 1.0080 0
+ 1952 WT1 1291 TIP3 H2 HT 0.417000 1.0080 0
+ 1953 WT1 1293 TIP3 OH2 OT -0.834000 15.9994 0
+ 1954 WT1 1293 TIP3 H1 HT 0.417000 1.0080 0
+ 1955 WT1 1293 TIP3 H2 HT 0.417000 1.0080 0
+ 1956 WT1 1295 TIP3 OH2 OT -0.834000 15.9994 0
+ 1957 WT1 1295 TIP3 H1 HT 0.417000 1.0080 0
+ 1958 WT1 1295 TIP3 H2 HT 0.417000 1.0080 0
+ 1959 WT1 1297 TIP3 OH2 OT -0.834000 15.9994 0
+ 1960 WT1 1297 TIP3 H1 HT 0.417000 1.0080 0
+ 1961 WT1 1297 TIP3 H2 HT 0.417000 1.0080 0
+ 1962 WT1 1298 TIP3 OH2 OT -0.834000 15.9994 0
+ 1963 WT1 1298 TIP3 H1 HT 0.417000 1.0080 0
+ 1964 WT1 1298 TIP3 H2 HT 0.417000 1.0080 0
+ 1965 WT1 1301 TIP3 OH2 OT -0.834000 15.9994 0
+ 1966 WT1 1301 TIP3 H1 HT 0.417000 1.0080 0
+ 1967 WT1 1301 TIP3 H2 HT 0.417000 1.0080 0
+ 1968 WT1 1303 TIP3 OH2 OT -0.834000 15.9994 0
+ 1969 WT1 1303 TIP3 H1 HT 0.417000 1.0080 0
+ 1970 WT1 1303 TIP3 H2 HT 0.417000 1.0080 0
+ 1971 WT1 1306 TIP3 OH2 OT -0.834000 15.9994 0
+ 1972 WT1 1306 TIP3 H1 HT 0.417000 1.0080 0
+ 1973 WT1 1306 TIP3 H2 HT 0.417000 1.0080 0
+ 1974 WT1 1307 TIP3 OH2 OT -0.834000 15.9994 0
+ 1975 WT1 1307 TIP3 H1 HT 0.417000 1.0080 0
+ 1976 WT1 1307 TIP3 H2 HT 0.417000 1.0080 0
+ 1977 WT1 1308 TIP3 OH2 OT -0.834000 15.9994 0
+ 1978 WT1 1308 TIP3 H1 HT 0.417000 1.0080 0
+ 1979 WT1 1308 TIP3 H2 HT 0.417000 1.0080 0
+ 1980 WT1 1309 TIP3 OH2 OT -0.834000 15.9994 0
+ 1981 WT1 1309 TIP3 H1 HT 0.417000 1.0080 0
+ 1982 WT1 1309 TIP3 H2 HT 0.417000 1.0080 0
+ 1983 WT1 1311 TIP3 OH2 OT -0.834000 15.9994 0
+ 1984 WT1 1311 TIP3 H1 HT 0.417000 1.0080 0
+ 1985 WT1 1311 TIP3 H2 HT 0.417000 1.0080 0
+ 1986 WT1 1312 TIP3 OH2 OT -0.834000 15.9994 0
+ 1987 WT1 1312 TIP3 H1 HT 0.417000 1.0080 0
+ 1988 WT1 1312 TIP3 H2 HT 0.417000 1.0080 0
+ 1989 WT1 1313 TIP3 OH2 OT -0.834000 15.9994 0
+ 1990 WT1 1313 TIP3 H1 HT 0.417000 1.0080 0
+ 1991 WT1 1313 TIP3 H2 HT 0.417000 1.0080 0
+ 1992 WT1 1316 TIP3 OH2 OT -0.834000 15.9994 0
+ 1993 WT1 1316 TIP3 H1 HT 0.417000 1.0080 0
+ 1994 WT1 1316 TIP3 H2 HT 0.417000 1.0080 0
+ 1995 WT1 1317 TIP3 OH2 OT -0.834000 15.9994 0
+ 1996 WT1 1317 TIP3 H1 HT 0.417000 1.0080 0
+ 1997 WT1 1317 TIP3 H2 HT 0.417000 1.0080 0
+ 1998 WT1 1324 TIP3 OH2 OT -0.834000 15.9994 0
+ 1999 WT1 1324 TIP3 H1 HT 0.417000 1.0080 0
+ 2000 WT1 1324 TIP3 H2 HT 0.417000 1.0080 0
+ 2001 WT1 1326 TIP3 OH2 OT -0.834000 15.9994 0
+ 2002 WT1 1326 TIP3 H1 HT 0.417000 1.0080 0
+ 2003 WT1 1326 TIP3 H2 HT 0.417000 1.0080 0
+ 2004 WT1 1327 TIP3 OH2 OT -0.834000 15.9994 0
+ 2005 WT1 1327 TIP3 H1 HT 0.417000 1.0080 0
+ 2006 WT1 1327 TIP3 H2 HT 0.417000 1.0080 0
+ 2007 WT1 1328 TIP3 OH2 OT -0.834000 15.9994 0
+ 2008 WT1 1328 TIP3 H1 HT 0.417000 1.0080 0
+ 2009 WT1 1328 TIP3 H2 HT 0.417000 1.0080 0
+ 2010 WT1 1329 TIP3 OH2 OT -0.834000 15.9994 0
+ 2011 WT1 1329 TIP3 H1 HT 0.417000 1.0080 0
+ 2012 WT1 1329 TIP3 H2 HT 0.417000 1.0080 0
+ 2013 WT1 1330 TIP3 OH2 OT -0.834000 15.9994 0
+ 2014 WT1 1330 TIP3 H1 HT 0.417000 1.0080 0
+ 2015 WT1 1330 TIP3 H2 HT 0.417000 1.0080 0
+ 2016 WT1 1332 TIP3 OH2 OT -0.834000 15.9994 0
+ 2017 WT1 1332 TIP3 H1 HT 0.417000 1.0080 0
+ 2018 WT1 1332 TIP3 H2 HT 0.417000 1.0080 0
+ 2019 WT1 1333 TIP3 OH2 OT -0.834000 15.9994 0
+ 2020 WT1 1333 TIP3 H1 HT 0.417000 1.0080 0
+ 2021 WT1 1333 TIP3 H2 HT 0.417000 1.0080 0
+ 2022 WT1 1334 TIP3 OH2 OT -0.834000 15.9994 0
+ 2023 WT1 1334 TIP3 H1 HT 0.417000 1.0080 0
+ 2024 WT1 1334 TIP3 H2 HT 0.417000 1.0080 0
+ 2025 WT1 1335 TIP3 OH2 OT -0.834000 15.9994 0
+ 2026 WT1 1335 TIP3 H1 HT 0.417000 1.0080 0
+ 2027 WT1 1335 TIP3 H2 HT 0.417000 1.0080 0
+ 2028 WT1 1336 TIP3 OH2 OT -0.834000 15.9994 0
+ 2029 WT1 1336 TIP3 H1 HT 0.417000 1.0080 0
+ 2030 WT1 1336 TIP3 H2 HT 0.417000 1.0080 0
+ 2031 WT1 1337 TIP3 OH2 OT -0.834000 15.9994 0
+ 2032 WT1 1337 TIP3 H1 HT 0.417000 1.0080 0
+ 2033 WT1 1337 TIP3 H2 HT 0.417000 1.0080 0
+ 2034 WT1 1344 TIP3 OH2 OT -0.834000 15.9994 0
+ 2035 WT1 1344 TIP3 H1 HT 0.417000 1.0080 0
+ 2036 WT1 1344 TIP3 H2 HT 0.417000 1.0080 0
+ 2037 WT1 1346 TIP3 OH2 OT -0.834000 15.9994 0
+ 2038 WT1 1346 TIP3 H1 HT 0.417000 1.0080 0
+ 2039 WT1 1346 TIP3 H2 HT 0.417000 1.0080 0
+ 2040 WT1 1347 TIP3 OH2 OT -0.834000 15.9994 0
+ 2041 WT1 1347 TIP3 H1 HT 0.417000 1.0080 0
+ 2042 WT1 1347 TIP3 H2 HT 0.417000 1.0080 0
+ 2043 WT1 1349 TIP3 OH2 OT -0.834000 15.9994 0
+ 2044 WT1 1349 TIP3 H1 HT 0.417000 1.0080 0
+ 2045 WT1 1349 TIP3 H2 HT 0.417000 1.0080 0
+ 2046 WT1 1352 TIP3 OH2 OT -0.834000 15.9994 0
+ 2047 WT1 1352 TIP3 H1 HT 0.417000 1.0080 0
+ 2048 WT1 1352 TIP3 H2 HT 0.417000 1.0080 0
+ 2049 WT1 1353 TIP3 OH2 OT -0.834000 15.9994 0
+ 2050 WT1 1353 TIP3 H1 HT 0.417000 1.0080 0
+ 2051 WT1 1353 TIP3 H2 HT 0.417000 1.0080 0
+ 2052 WT1 1354 TIP3 OH2 OT -0.834000 15.9994 0
+ 2053 WT1 1354 TIP3 H1 HT 0.417000 1.0080 0
+ 2054 WT1 1354 TIP3 H2 HT 0.417000 1.0080 0
+ 2055 WT1 1355 TIP3 OH2 OT -0.834000 15.9994 0
+ 2056 WT1 1355 TIP3 H1 HT 0.417000 1.0080 0
+ 2057 WT1 1355 TIP3 H2 HT 0.417000 1.0080 0
+ 2058 WT1 1356 TIP3 OH2 OT -0.834000 15.9994 0
+ 2059 WT1 1356 TIP3 H1 HT 0.417000 1.0080 0
+ 2060 WT1 1356 TIP3 H2 HT 0.417000 1.0080 0
+ 2061 WT1 1357 TIP3 OH2 OT -0.834000 15.9994 0
+ 2062 WT1 1357 TIP3 H1 HT 0.417000 1.0080 0
+ 2063 WT1 1357 TIP3 H2 HT 0.417000 1.0080 0
+ 2064 WT1 1361 TIP3 OH2 OT -0.834000 15.9994 0
+ 2065 WT1 1361 TIP3 H1 HT 0.417000 1.0080 0
+ 2066 WT1 1361 TIP3 H2 HT 0.417000 1.0080 0
+ 2067 WT1 1367 TIP3 OH2 OT -0.834000 15.9994 0
+ 2068 WT1 1367 TIP3 H1 HT 0.417000 1.0080 0
+ 2069 WT1 1367 TIP3 H2 HT 0.417000 1.0080 0
+ 2070 WT1 1368 TIP3 OH2 OT -0.834000 15.9994 0
+ 2071 WT1 1368 TIP3 H1 HT 0.417000 1.0080 0
+ 2072 WT1 1368 TIP3 H2 HT 0.417000 1.0080 0
+ 2073 WT1 1370 TIP3 OH2 OT -0.834000 15.9994 0
+ 2074 WT1 1370 TIP3 H1 HT 0.417000 1.0080 0
+ 2075 WT1 1370 TIP3 H2 HT 0.417000 1.0080 0
+ 2076 WT1 1371 TIP3 OH2 OT -0.834000 15.9994 0
+ 2077 WT1 1371 TIP3 H1 HT 0.417000 1.0080 0
+ 2078 WT1 1371 TIP3 H2 HT 0.417000 1.0080 0
+ 2079 WT1 1372 TIP3 OH2 OT -0.834000 15.9994 0
+ 2080 WT1 1372 TIP3 H1 HT 0.417000 1.0080 0
+ 2081 WT1 1372 TIP3 H2 HT 0.417000 1.0080 0
+ 2082 WT1 1373 TIP3 OH2 OT -0.834000 15.9994 0
+ 2083 WT1 1373 TIP3 H1 HT 0.417000 1.0080 0
+ 2084 WT1 1373 TIP3 H2 HT 0.417000 1.0080 0
+ 2085 WT1 1374 TIP3 OH2 OT -0.834000 15.9994 0
+ 2086 WT1 1374 TIP3 H1 HT 0.417000 1.0080 0
+ 2087 WT1 1374 TIP3 H2 HT 0.417000 1.0080 0
+ 2088 WT1 1376 TIP3 OH2 OT -0.834000 15.9994 0
+ 2089 WT1 1376 TIP3 H1 HT 0.417000 1.0080 0
+ 2090 WT1 1376 TIP3 H2 HT 0.417000 1.0080 0
+ 2091 WT1 1379 TIP3 OH2 OT -0.834000 15.9994 0
+ 2092 WT1 1379 TIP3 H1 HT 0.417000 1.0080 0
+ 2093 WT1 1379 TIP3 H2 HT 0.417000 1.0080 0
+ 2094 WT1 1380 TIP3 OH2 OT -0.834000 15.9994 0
+ 2095 WT1 1380 TIP3 H1 HT 0.417000 1.0080 0
+ 2096 WT1 1380 TIP3 H2 HT 0.417000 1.0080 0
+ 2097 WT1 1387 TIP3 OH2 OT -0.834000 15.9994 0
+ 2098 WT1 1387 TIP3 H1 HT 0.417000 1.0080 0
+ 2099 WT1 1387 TIP3 H2 HT 0.417000 1.0080 0
+ 2100 WT1 1388 TIP3 OH2 OT -0.834000 15.9994 0
+ 2101 WT1 1388 TIP3 H1 HT 0.417000 1.0080 0
+ 2102 WT1 1388 TIP3 H2 HT 0.417000 1.0080 0
+ 2103 WT1 1389 TIP3 OH2 OT -0.834000 15.9994 0
+ 2104 WT1 1389 TIP3 H1 HT 0.417000 1.0080 0
+ 2105 WT1 1389 TIP3 H2 HT 0.417000 1.0080 0
+ 2106 WT1 1392 TIP3 OH2 OT -0.834000 15.9994 0
+ 2107 WT1 1392 TIP3 H1 HT 0.417000 1.0080 0
+ 2108 WT1 1392 TIP3 H2 HT 0.417000 1.0080 0
+ 2109 WT1 1394 TIP3 OH2 OT -0.834000 15.9994 0
+ 2110 WT1 1394 TIP3 H1 HT 0.417000 1.0080 0
+ 2111 WT1 1394 TIP3 H2 HT 0.417000 1.0080 0
+ 2112 WT1 1395 TIP3 OH2 OT -0.834000 15.9994 0
+ 2113 WT1 1395 TIP3 H1 HT 0.417000 1.0080 0
+ 2114 WT1 1395 TIP3 H2 HT 0.417000 1.0080 0
+ 2115 WT1 1396 TIP3 OH2 OT -0.834000 15.9994 0
+ 2116 WT1 1396 TIP3 H1 HT 0.417000 1.0080 0
+ 2117 WT1 1396 TIP3 H2 HT 0.417000 1.0080 0
+ 2118 WT1 1398 TIP3 OH2 OT -0.834000 15.9994 0
+ 2119 WT1 1398 TIP3 H1 HT 0.417000 1.0080 0
+ 2120 WT1 1398 TIP3 H2 HT 0.417000 1.0080 0
+ 2121 WT1 1401 TIP3 OH2 OT -0.834000 15.9994 0
+ 2122 WT1 1401 TIP3 H1 HT 0.417000 1.0080 0
+ 2123 WT1 1401 TIP3 H2 HT 0.417000 1.0080 0
+ 2124 WT1 1405 TIP3 OH2 OT -0.834000 15.9994 0
+ 2125 WT1 1405 TIP3 H1 HT 0.417000 1.0080 0
+ 2126 WT1 1405 TIP3 H2 HT 0.417000 1.0080 0
+ 2127 WT1 1407 TIP3 OH2 OT -0.834000 15.9994 0
+ 2128 WT1 1407 TIP3 H1 HT 0.417000 1.0080 0
+ 2129 WT1 1407 TIP3 H2 HT 0.417000 1.0080 0
+ 2130 WT1 1408 TIP3 OH2 OT -0.834000 15.9994 0
+ 2131 WT1 1408 TIP3 H1 HT 0.417000 1.0080 0
+ 2132 WT1 1408 TIP3 H2 HT 0.417000 1.0080 0
+ 2133 WT1 1411 TIP3 OH2 OT -0.834000 15.9994 0
+ 2134 WT1 1411 TIP3 H1 HT 0.417000 1.0080 0
+ 2135 WT1 1411 TIP3 H2 HT 0.417000 1.0080 0
+ 2136 WT1 1412 TIP3 OH2 OT -0.834000 15.9994 0
+ 2137 WT1 1412 TIP3 H1 HT 0.417000 1.0080 0
+ 2138 WT1 1412 TIP3 H2 HT 0.417000 1.0080 0
+ 2139 WT1 1413 TIP3 OH2 OT -0.834000 15.9994 0
+ 2140 WT1 1413 TIP3 H1 HT 0.417000 1.0080 0
+ 2141 WT1 1413 TIP3 H2 HT 0.417000 1.0080 0
+ 2142 WT1 1414 TIP3 OH2 OT -0.834000 15.9994 0
+ 2143 WT1 1414 TIP3 H1 HT 0.417000 1.0080 0
+ 2144 WT1 1414 TIP3 H2 HT 0.417000 1.0080 0
+ 2145 WT1 1415 TIP3 OH2 OT -0.834000 15.9994 0
+ 2146 WT1 1415 TIP3 H1 HT 0.417000 1.0080 0
+ 2147 WT1 1415 TIP3 H2 HT 0.417000 1.0080 0
+ 2148 WT1 1416 TIP3 OH2 OT -0.834000 15.9994 0
+ 2149 WT1 1416 TIP3 H1 HT 0.417000 1.0080 0
+ 2150 WT1 1416 TIP3 H2 HT 0.417000 1.0080 0
+ 2151 WT1 1418 TIP3 OH2 OT -0.834000 15.9994 0
+ 2152 WT1 1418 TIP3 H1 HT 0.417000 1.0080 0
+ 2153 WT1 1418 TIP3 H2 HT 0.417000 1.0080 0
+ 2154 WT1 1419 TIP3 OH2 OT -0.834000 15.9994 0
+ 2155 WT1 1419 TIP3 H1 HT 0.417000 1.0080 0
+ 2156 WT1 1419 TIP3 H2 HT 0.417000 1.0080 0
+ 2157 WT1 1421 TIP3 OH2 OT -0.834000 15.9994 0
+ 2158 WT1 1421 TIP3 H1 HT 0.417000 1.0080 0
+ 2159 WT1 1421 TIP3 H2 HT 0.417000 1.0080 0
+ 2160 WT1 1428 TIP3 OH2 OT -0.834000 15.9994 0
+ 2161 WT1 1428 TIP3 H1 HT 0.417000 1.0080 0
+ 2162 WT1 1428 TIP3 H2 HT 0.417000 1.0080 0
+ 2163 WT1 1429 TIP3 OH2 OT -0.834000 15.9994 0
+ 2164 WT1 1429 TIP3 H1 HT 0.417000 1.0080 0
+ 2165 WT1 1429 TIP3 H2 HT 0.417000 1.0080 0
+ 2166 WT1 1430 TIP3 OH2 OT -0.834000 15.9994 0
+ 2167 WT1 1430 TIP3 H1 HT 0.417000 1.0080 0
+ 2168 WT1 1430 TIP3 H2 HT 0.417000 1.0080 0
+ 2169 WT1 1431 TIP3 OH2 OT -0.834000 15.9994 0
+ 2170 WT1 1431 TIP3 H1 HT 0.417000 1.0080 0
+ 2171 WT1 1431 TIP3 H2 HT 0.417000 1.0080 0
+ 2172 WT1 1433 TIP3 OH2 OT -0.834000 15.9994 0
+ 2173 WT1 1433 TIP3 H1 HT 0.417000 1.0080 0
+ 2174 WT1 1433 TIP3 H2 HT 0.417000 1.0080 0
+ 2175 WT1 1435 TIP3 OH2 OT -0.834000 15.9994 0
+ 2176 WT1 1435 TIP3 H1 HT 0.417000 1.0080 0
+ 2177 WT1 1435 TIP3 H2 HT 0.417000 1.0080 0
+ 2178 WT1 1436 TIP3 OH2 OT -0.834000 15.9994 0
+ 2179 WT1 1436 TIP3 H1 HT 0.417000 1.0080 0
+ 2180 WT1 1436 TIP3 H2 HT 0.417000 1.0080 0
+ 2181 WT1 1437 TIP3 OH2 OT -0.834000 15.9994 0
+ 2182 WT1 1437 TIP3 H1 HT 0.417000 1.0080 0
+ 2183 WT1 1437 TIP3 H2 HT 0.417000 1.0080 0
+ 2184 WT1 1439 TIP3 OH2 OT -0.834000 15.9994 0
+ 2185 WT1 1439 TIP3 H1 HT 0.417000 1.0080 0
+ 2186 WT1 1439 TIP3 H2 HT 0.417000 1.0080 0
+ 2187 WT1 1440 TIP3 OH2 OT -0.834000 15.9994 0
+ 2188 WT1 1440 TIP3 H1 HT 0.417000 1.0080 0
+ 2189 WT1 1440 TIP3 H2 HT 0.417000 1.0080 0
+ 2190 WT1 1442 TIP3 OH2 OT -0.834000 15.9994 0
+ 2191 WT1 1442 TIP3 H1 HT 0.417000 1.0080 0
+ 2192 WT1 1442 TIP3 H2 HT 0.417000 1.0080 0
+ 2193 WT1 1443 TIP3 OH2 OT -0.834000 15.9994 0
+ 2194 WT1 1443 TIP3 H1 HT 0.417000 1.0080 0
+ 2195 WT1 1443 TIP3 H2 HT 0.417000 1.0080 0
+ 2196 WT1 1450 TIP3 OH2 OT -0.834000 15.9994 0
+ 2197 WT1 1450 TIP3 H1 HT 0.417000 1.0080 0
+ 2198 WT1 1450 TIP3 H2 HT 0.417000 1.0080 0
+ 2199 WT1 1451 TIP3 OH2 OT -0.834000 15.9994 0
+ 2200 WT1 1451 TIP3 H1 HT 0.417000 1.0080 0
+ 2201 WT1 1451 TIP3 H2 HT 0.417000 1.0080 0
+ 2202 WT1 1453 TIP3 OH2 OT -0.834000 15.9994 0
+ 2203 WT1 1453 TIP3 H1 HT 0.417000 1.0080 0
+ 2204 WT1 1453 TIP3 H2 HT 0.417000 1.0080 0
+ 2205 WT1 1454 TIP3 OH2 OT -0.834000 15.9994 0
+ 2206 WT1 1454 TIP3 H1 HT 0.417000 1.0080 0
+ 2207 WT1 1454 TIP3 H2 HT 0.417000 1.0080 0
+ 2208 WT1 1455 TIP3 OH2 OT -0.834000 15.9994 0
+ 2209 WT1 1455 TIP3 H1 HT 0.417000 1.0080 0
+ 2210 WT1 1455 TIP3 H2 HT 0.417000 1.0080 0
+ 2211 WT1 1456 TIP3 OH2 OT -0.834000 15.9994 0
+ 2212 WT1 1456 TIP3 H1 HT 0.417000 1.0080 0
+ 2213 WT1 1456 TIP3 H2 HT 0.417000 1.0080 0
+ 2214 WT1 1457 TIP3 OH2 OT -0.834000 15.9994 0
+ 2215 WT1 1457 TIP3 H1 HT 0.417000 1.0080 0
+ 2216 WT1 1457 TIP3 H2 HT 0.417000 1.0080 0
+ 2217 WT1 1458 TIP3 OH2 OT -0.834000 15.9994 0
+ 2218 WT1 1458 TIP3 H1 HT 0.417000 1.0080 0
+ 2219 WT1 1458 TIP3 H2 HT 0.417000 1.0080 0
+ 2220 WT1 1459 TIP3 OH2 OT -0.834000 15.9994 0
+ 2221 WT1 1459 TIP3 H1 HT 0.417000 1.0080 0
+ 2222 WT1 1459 TIP3 H2 HT 0.417000 1.0080 0
+ 2223 WT1 1460 TIP3 OH2 OT -0.834000 15.9994 0
+ 2224 WT1 1460 TIP3 H1 HT 0.417000 1.0080 0
+ 2225 WT1 1460 TIP3 H2 HT 0.417000 1.0080 0
+ 2226 WT1 1461 TIP3 OH2 OT -0.834000 15.9994 0
+ 2227 WT1 1461 TIP3 H1 HT 0.417000 1.0080 0
+ 2228 WT1 1461 TIP3 H2 HT 0.417000 1.0080 0
+ 2229 WT1 1463 TIP3 OH2 OT -0.834000 15.9994 0
+ 2230 WT1 1463 TIP3 H1 HT 0.417000 1.0080 0
+ 2231 WT1 1463 TIP3 H2 HT 0.417000 1.0080 0
+ 2232 WT1 1464 TIP3 OH2 OT -0.834000 15.9994 0
+ 2233 WT1 1464 TIP3 H1 HT 0.417000 1.0080 0
+ 2234 WT1 1464 TIP3 H2 HT 0.417000 1.0080 0
+ 2235 WT1 1465 TIP3 OH2 OT -0.834000 15.9994 0
+ 2236 WT1 1465 TIP3 H1 HT 0.417000 1.0080 0
+ 2237 WT1 1465 TIP3 H2 HT 0.417000 1.0080 0
+ 2238 WT1 1466 TIP3 OH2 OT -0.834000 15.9994 0
+ 2239 WT1 1466 TIP3 H1 HT 0.417000 1.0080 0
+ 2240 WT1 1466 TIP3 H2 HT 0.417000 1.0080 0
+ 2241 WT1 1471 TIP3 OH2 OT -0.834000 15.9994 0
+ 2242 WT1 1471 TIP3 H1 HT 0.417000 1.0080 0
+ 2243 WT1 1471 TIP3 H2 HT 0.417000 1.0080 0
+ 2244 WT1 1474 TIP3 OH2 OT -0.834000 15.9994 0
+ 2245 WT1 1474 TIP3 H1 HT 0.417000 1.0080 0
+ 2246 WT1 1474 TIP3 H2 HT 0.417000 1.0080 0
+ 2247 WT1 1475 TIP3 OH2 OT -0.834000 15.9994 0
+ 2248 WT1 1475 TIP3 H1 HT 0.417000 1.0080 0
+ 2249 WT1 1475 TIP3 H2 HT 0.417000 1.0080 0
+ 2250 WT1 1476 TIP3 OH2 OT -0.834000 15.9994 0
+ 2251 WT1 1476 TIP3 H1 HT 0.417000 1.0080 0
+ 2252 WT1 1476 TIP3 H2 HT 0.417000 1.0080 0
+ 2253 WT1 1477 TIP3 OH2 OT -0.834000 15.9994 0
+ 2254 WT1 1477 TIP3 H1 HT 0.417000 1.0080 0
+ 2255 WT1 1477 TIP3 H2 HT 0.417000 1.0080 0
+ 2256 WT1 1478 TIP3 OH2 OT -0.834000 15.9994 0
+ 2257 WT1 1478 TIP3 H1 HT 0.417000 1.0080 0
+ 2258 WT1 1478 TIP3 H2 HT 0.417000 1.0080 0
+ 2259 WT1 1479 TIP3 OH2 OT -0.834000 15.9994 0
+ 2260 WT1 1479 TIP3 H1 HT 0.417000 1.0080 0
+ 2261 WT1 1479 TIP3 H2 HT 0.417000 1.0080 0
+ 2262 WT1 1480 TIP3 OH2 OT -0.834000 15.9994 0
+ 2263 WT1 1480 TIP3 H1 HT 0.417000 1.0080 0
+ 2264 WT1 1480 TIP3 H2 HT 0.417000 1.0080 0
+ 2265 WT1 1481 TIP3 OH2 OT -0.834000 15.9994 0
+ 2266 WT1 1481 TIP3 H1 HT 0.417000 1.0080 0
+ 2267 WT1 1481 TIP3 H2 HT 0.417000 1.0080 0
+ 2268 WT1 1483 TIP3 OH2 OT -0.834000 15.9994 0
+ 2269 WT1 1483 TIP3 H1 HT 0.417000 1.0080 0
+ 2270 WT1 1483 TIP3 H2 HT 0.417000 1.0080 0
+ 2271 WT1 1485 TIP3 OH2 OT -0.834000 15.9994 0
+ 2272 WT1 1485 TIP3 H1 HT 0.417000 1.0080 0
+ 2273 WT1 1485 TIP3 H2 HT 0.417000 1.0080 0
+ 2274 WT1 1492 TIP3 OH2 OT -0.834000 15.9994 0
+ 2275 WT1 1492 TIP3 H1 HT 0.417000 1.0080 0
+ 2276 WT1 1492 TIP3 H2 HT 0.417000 1.0080 0
+ 2277 WT1 1493 TIP3 OH2 OT -0.834000 15.9994 0
+ 2278 WT1 1493 TIP3 H1 HT 0.417000 1.0080 0
+ 2279 WT1 1493 TIP3 H2 HT 0.417000 1.0080 0
+ 2280 WT1 1494 TIP3 OH2 OT -0.834000 15.9994 0
+ 2281 WT1 1494 TIP3 H1 HT 0.417000 1.0080 0
+ 2282 WT1 1494 TIP3 H2 HT 0.417000 1.0080 0
+ 2283 WT1 1497 TIP3 OH2 OT -0.834000 15.9994 0
+ 2284 WT1 1497 TIP3 H1 HT 0.417000 1.0080 0
+ 2285 WT1 1497 TIP3 H2 HT 0.417000 1.0080 0
+ 2286 WT1 1498 TIP3 OH2 OT -0.834000 15.9994 0
+ 2287 WT1 1498 TIP3 H1 HT 0.417000 1.0080 0
+ 2288 WT1 1498 TIP3 H2 HT 0.417000 1.0080 0
+ 2289 WT1 1499 TIP3 OH2 OT -0.834000 15.9994 0
+ 2290 WT1 1499 TIP3 H1 HT 0.417000 1.0080 0
+ 2291 WT1 1499 TIP3 H2 HT 0.417000 1.0080 0
+ 2292 WT1 1500 TIP3 OH2 OT -0.834000 15.9994 0
+ 2293 WT1 1500 TIP3 H1 HT 0.417000 1.0080 0
+ 2294 WT1 1500 TIP3 H2 HT 0.417000 1.0080 0
+ 2295 WT1 1501 TIP3 OH2 OT -0.834000 15.9994 0
+ 2296 WT1 1501 TIP3 H1 HT 0.417000 1.0080 0
+ 2297 WT1 1501 TIP3 H2 HT 0.417000 1.0080 0
+ 2298 WT1 1502 TIP3 OH2 OT -0.834000 15.9994 0
+ 2299 WT1 1502 TIP3 H1 HT 0.417000 1.0080 0
+ 2300 WT1 1502 TIP3 H2 HT 0.417000 1.0080 0
+ 2301 WT1 1506 TIP3 OH2 OT -0.834000 15.9994 0
+ 2302 WT1 1506 TIP3 H1 HT 0.417000 1.0080 0
+ 2303 WT1 1506 TIP3 H2 HT 0.417000 1.0080 0
+ 2304 WT1 1507 TIP3 OH2 OT -0.834000 15.9994 0
+ 2305 WT1 1507 TIP3 H1 HT 0.417000 1.0080 0
+ 2306 WT1 1507 TIP3 H2 HT 0.417000 1.0080 0
+ 2307 WT1 1512 TIP3 OH2 OT -0.834000 15.9994 0
+ 2308 WT1 1512 TIP3 H1 HT 0.417000 1.0080 0
+ 2309 WT1 1512 TIP3 H2 HT 0.417000 1.0080 0
+ 2310 WT1 1514 TIP3 OH2 OT -0.834000 15.9994 0
+ 2311 WT1 1514 TIP3 H1 HT 0.417000 1.0080 0
+ 2312 WT1 1514 TIP3 H2 HT 0.417000 1.0080 0
+ 2313 WT1 1515 TIP3 OH2 OT -0.834000 15.9994 0
+ 2314 WT1 1515 TIP3 H1 HT 0.417000 1.0080 0
+ 2315 WT1 1515 TIP3 H2 HT 0.417000 1.0080 0
+ 2316 WT1 1518 TIP3 OH2 OT -0.834000 15.9994 0
+ 2317 WT1 1518 TIP3 H1 HT 0.417000 1.0080 0
+ 2318 WT1 1518 TIP3 H2 HT 0.417000 1.0080 0
+ 2319 WT1 1519 TIP3 OH2 OT -0.834000 15.9994 0
+ 2320 WT1 1519 TIP3 H1 HT 0.417000 1.0080 0
+ 2321 WT1 1519 TIP3 H2 HT 0.417000 1.0080 0
+ 2322 WT1 1520 TIP3 OH2 OT -0.834000 15.9994 0
+ 2323 WT1 1520 TIP3 H1 HT 0.417000 1.0080 0
+ 2324 WT1 1520 TIP3 H2 HT 0.417000 1.0080 0
+ 2325 WT1 1522 TIP3 OH2 OT -0.834000 15.9994 0
+ 2326 WT1 1522 TIP3 H1 HT 0.417000 1.0080 0
+ 2327 WT1 1522 TIP3 H2 HT 0.417000 1.0080 0
+ 2328 WT1 1523 TIP3 OH2 OT -0.834000 15.9994 0
+ 2329 WT1 1523 TIP3 H1 HT 0.417000 1.0080 0
+ 2330 WT1 1523 TIP3 H2 HT 0.417000 1.0080 0
+ 2331 WT1 1524 TIP3 OH2 OT -0.834000 15.9994 0
+ 2332 WT1 1524 TIP3 H1 HT 0.417000 1.0080 0
+ 2333 WT1 1524 TIP3 H2 HT 0.417000 1.0080 0
+ 2334 WT1 1526 TIP3 OH2 OT -0.834000 15.9994 0
+ 2335 WT1 1526 TIP3 H1 HT 0.417000 1.0080 0
+ 2336 WT1 1526 TIP3 H2 HT 0.417000 1.0080 0
+ 2337 WT1 1527 TIP3 OH2 OT -0.834000 15.9994 0
+ 2338 WT1 1527 TIP3 H1 HT 0.417000 1.0080 0
+ 2339 WT1 1527 TIP3 H2 HT 0.417000 1.0080 0
+ 2340 WT1 1531 TIP3 OH2 OT -0.834000 15.9994 0
+ 2341 WT1 1531 TIP3 H1 HT 0.417000 1.0080 0
+ 2342 WT1 1531 TIP3 H2 HT 0.417000 1.0080 0
+ 2343 WT1 1532 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2345 WT1 1532 TIP3 H2 HT 0.417000 1.0080 0
+ 2346 WT1 1534 TIP3 OH2 OT -0.834000 15.9994 0
+ 2347 WT1 1534 TIP3 H1 HT 0.417000 1.0080 0
+ 2348 WT1 1534 TIP3 H2 HT 0.417000 1.0080 0
+ 2349 WT1 1536 TIP3 OH2 OT -0.834000 15.9994 0
+ 2350 WT1 1536 TIP3 H1 HT 0.417000 1.0080 0
+ 2351 WT1 1536 TIP3 H2 HT 0.417000 1.0080 0
+ 2352 WT1 1537 TIP3 OH2 OT -0.834000 15.9994 0
+ 2353 WT1 1537 TIP3 H1 HT 0.417000 1.0080 0
+ 2354 WT1 1537 TIP3 H2 HT 0.417000 1.0080 0
+ 2355 WT1 1538 TIP3 OH2 OT -0.834000 15.9994 0
+ 2356 WT1 1538 TIP3 H1 HT 0.417000 1.0080 0
+ 2357 WT1 1538 TIP3 H2 HT 0.417000 1.0080 0
+ 2358 WT1 1542 TIP3 OH2 OT -0.834000 15.9994 0
+ 2359 WT1 1542 TIP3 H1 HT 0.417000 1.0080 0
+ 2360 WT1 1542 TIP3 H2 HT 0.417000 1.0080 0
+ 2361 WT1 1543 TIP3 OH2 OT -0.834000 15.9994 0
+ 2362 WT1 1543 TIP3 H1 HT 0.417000 1.0080 0
+ 2363 WT1 1543 TIP3 H2 HT 0.417000 1.0080 0
+ 2364 WT1 1544 TIP3 OH2 OT -0.834000 15.9994 0
+ 2365 WT1 1544 TIP3 H1 HT 0.417000 1.0080 0
+ 2366 WT1 1544 TIP3 H2 HT 0.417000 1.0080 0
+ 2367 WT1 1545 TIP3 OH2 OT -0.834000 15.9994 0
+ 2368 WT1 1545 TIP3 H1 HT 0.417000 1.0080 0
+ 2369 WT1 1545 TIP3 H2 HT 0.417000 1.0080 0
+ 2370 WT1 1546 TIP3 OH2 OT -0.834000 15.9994 0
+ 2371 WT1 1546 TIP3 H1 HT 0.417000 1.0080 0
+ 2372 WT1 1546 TIP3 H2 HT 0.417000 1.0080 0
+ 2373 WT1 1547 TIP3 OH2 OT -0.834000 15.9994 0
+ 2374 WT1 1547 TIP3 H1 HT 0.417000 1.0080 0
+ 2375 WT1 1547 TIP3 H2 HT 0.417000 1.0080 0
+ 2376 WT1 1548 TIP3 OH2 OT -0.834000 15.9994 0
+ 2377 WT1 1548 TIP3 H1 HT 0.417000 1.0080 0
+ 2378 WT1 1548 TIP3 H2 HT 0.417000 1.0080 0
+ 2379 WT1 1552 TIP3 OH2 OT -0.834000 15.9994 0
+ 2380 WT1 1552 TIP3 H1 HT 0.417000 1.0080 0
+ 2381 WT1 1552 TIP3 H2 HT 0.417000 1.0080 0
+ 2382 WT1 1555 TIP3 OH2 OT -0.834000 15.9994 0
+ 2383 WT1 1555 TIP3 H1 HT 0.417000 1.0080 0
+ 2384 WT1 1555 TIP3 H2 HT 0.417000 1.0080 0
+ 2385 WT1 1557 TIP3 OH2 OT -0.834000 15.9994 0
+ 2386 WT1 1557 TIP3 H1 HT 0.417000 1.0080 0
+ 2387 WT1 1557 TIP3 H2 HT 0.417000 1.0080 0
+ 2388 WT1 1559 TIP3 OH2 OT -0.834000 15.9994 0
+ 2389 WT1 1559 TIP3 H1 HT 0.417000 1.0080 0
+ 2390 WT1 1559 TIP3 H2 HT 0.417000 1.0080 0
+ 2391 WT1 1562 TIP3 OH2 OT -0.834000 15.9994 0
+ 2392 WT1 1562 TIP3 H1 HT 0.417000 1.0080 0
+ 2393 WT1 1562 TIP3 H2 HT 0.417000 1.0080 0
+ 2394 WT1 1565 TIP3 OH2 OT -0.834000 15.9994 0
+ 2395 WT1 1565 TIP3 H1 HT 0.417000 1.0080 0
+ 2396 WT1 1565 TIP3 H2 HT 0.417000 1.0080 0
+ 2397 WT1 1566 TIP3 OH2 OT -0.834000 15.9994 0
+ 2398 WT1 1566 TIP3 H1 HT 0.417000 1.0080 0
+ 2399 WT1 1566 TIP3 H2 HT 0.417000 1.0080 0
+ 2400 WT1 1568 TIP3 OH2 OT -0.834000 15.9994 0
+ 2401 WT1 1568 TIP3 H1 HT 0.417000 1.0080 0
+ 2402 WT1 1568 TIP3 H2 HT 0.417000 1.0080 0
+ 2403 WT1 1569 TIP3 OH2 OT -0.834000 15.9994 0
+ 2404 WT1 1569 TIP3 H1 HT 0.417000 1.0080 0
+ 2405 WT1 1569 TIP3 H2 HT 0.417000 1.0080 0
+ 2406 WT1 1570 TIP3 OH2 OT -0.834000 15.9994 0
+ 2407 WT1 1570 TIP3 H1 HT 0.417000 1.0080 0
+ 2408 WT1 1570 TIP3 H2 HT 0.417000 1.0080 0
+ 2409 WT1 1576 TIP3 OH2 OT -0.834000 15.9994 0
+ 2410 WT1 1576 TIP3 H1 HT 0.417000 1.0080 0
+ 2411 WT1 1576 TIP3 H2 HT 0.417000 1.0080 0
+ 2412 WT1 1577 TIP3 OH2 OT -0.834000 15.9994 0
+ 2413 WT1 1577 TIP3 H1 HT 0.417000 1.0080 0
+ 2414 WT1 1577 TIP3 H2 HT 0.417000 1.0080 0
+ 2415 WT1 1578 TIP3 OH2 OT -0.834000 15.9994 0
+ 2416 WT1 1578 TIP3 H1 HT 0.417000 1.0080 0
+ 2417 WT1 1578 TIP3 H2 HT 0.417000 1.0080 0
+ 2418 WT1 1579 TIP3 OH2 OT -0.834000 15.9994 0
+ 2419 WT1 1579 TIP3 H1 HT 0.417000 1.0080 0
+ 2420 WT1 1579 TIP3 H2 HT 0.417000 1.0080 0
+ 2421 WT1 1580 TIP3 OH2 OT -0.834000 15.9994 0
+ 2422 WT1 1580 TIP3 H1 HT 0.417000 1.0080 0
+ 2423 WT1 1580 TIP3 H2 HT 0.417000 1.0080 0
+ 2424 WT1 1581 TIP3 OH2 OT -0.834000 15.9994 0
+ 2425 WT1 1581 TIP3 H1 HT 0.417000 1.0080 0
+ 2426 WT1 1581 TIP3 H2 HT 0.417000 1.0080 0
+ 2427 WT1 1582 TIP3 OH2 OT -0.834000 15.9994 0
+ 2428 WT1 1582 TIP3 H1 HT 0.417000 1.0080 0
+ 2429 WT1 1582 TIP3 H2 HT 0.417000 1.0080 0
+ 2430 WT1 1583 TIP3 OH2 OT -0.834000 15.9994 0
+ 2431 WT1 1583 TIP3 H1 HT 0.417000 1.0080 0
+ 2432 WT1 1583 TIP3 H2 HT 0.417000 1.0080 0
+ 2433 WT1 1586 TIP3 OH2 OT -0.834000 15.9994 0
+ 2434 WT1 1586 TIP3 H1 HT 0.417000 1.0080 0
+ 2435 WT1 1586 TIP3 H2 HT 0.417000 1.0080 0
+ 2436 WT1 1587 TIP3 OH2 OT -0.834000 15.9994 0
+ 2437 WT1 1587 TIP3 H1 HT 0.417000 1.0080 0
+ 2438 WT1 1587 TIP3 H2 HT 0.417000 1.0080 0
+ 2439 WT1 1589 TIP3 OH2 OT -0.834000 15.9994 0
+ 2440 WT1 1589 TIP3 H1 HT 0.417000 1.0080 0
+ 2441 WT1 1589 TIP3 H2 HT 0.417000 1.0080 0
+ 2442 WT1 1590 TIP3 OH2 OT -0.834000 15.9994 0
+ 2443 WT1 1590 TIP3 H1 HT 0.417000 1.0080 0
+ 2444 WT1 1590 TIP3 H2 HT 0.417000 1.0080 0
+ 2445 WT1 1592 TIP3 OH2 OT -0.834000 15.9994 0
+ 2446 WT1 1592 TIP3 H1 HT 0.417000 1.0080 0
+ 2447 WT1 1592 TIP3 H2 HT 0.417000 1.0080 0
+ 2448 WT1 1593 TIP3 OH2 OT -0.834000 15.9994 0
+ 2449 WT1 1593 TIP3 H1 HT 0.417000 1.0080 0
+ 2450 WT1 1593 TIP3 H2 HT 0.417000 1.0080 0
+ 2451 WT1 1598 TIP3 OH2 OT -0.834000 15.9994 0
+ 2452 WT1 1598 TIP3 H1 HT 0.417000 1.0080 0
+ 2453 WT1 1598 TIP3 H2 HT 0.417000 1.0080 0
+ 2454 WT1 1599 TIP3 OH2 OT -0.834000 15.9994 0
+ 2455 WT1 1599 TIP3 H1 HT 0.417000 1.0080 0
+ 2456 WT1 1599 TIP3 H2 HT 0.417000 1.0080 0
+ 2457 WT1 1600 TIP3 OH2 OT -0.834000 15.9994 0
+ 2458 WT1 1600 TIP3 H1 HT 0.417000 1.0080 0
+ 2459 WT1 1600 TIP3 H2 HT 0.417000 1.0080 0
+ 2460 WT1 1602 TIP3 OH2 OT -0.834000 15.9994 0
+ 2461 WT1 1602 TIP3 H1 HT 0.417000 1.0080 0
+ 2462 WT1 1602 TIP3 H2 HT 0.417000 1.0080 0
+ 2463 WT1 1603 TIP3 OH2 OT -0.834000 15.9994 0
+ 2464 WT1 1603 TIP3 H1 HT 0.417000 1.0080 0
+ 2465 WT1 1603 TIP3 H2 HT 0.417000 1.0080 0
+ 2466 WT1 1604 TIP3 OH2 OT -0.834000 15.9994 0
+ 2467 WT1 1604 TIP3 H1 HT 0.417000 1.0080 0
+ 2468 WT1 1604 TIP3 H2 HT 0.417000 1.0080 0
+ 2469 WT1 1605 TIP3 OH2 OT -0.834000 15.9994 0
+ 2470 WT1 1605 TIP3 H1 HT 0.417000 1.0080 0
+ 2471 WT1 1605 TIP3 H2 HT 0.417000 1.0080 0
+ 2472 WT1 1607 TIP3 OH2 OT -0.834000 15.9994 0
+ 2473 WT1 1607 TIP3 H1 HT 0.417000 1.0080 0
+ 2474 WT1 1607 TIP3 H2 HT 0.417000 1.0080 0
+ 2475 WT1 1608 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2477 WT1 1608 TIP3 H2 HT 0.417000 1.0080 0
+ 2478 WT1 1609 TIP3 OH2 OT -0.834000 15.9994 0
+ 2479 WT1 1609 TIP3 H1 HT 0.417000 1.0080 0
+ 2480 WT1 1609 TIP3 H2 HT 0.417000 1.0080 0
+ 2481 WT1 1610 TIP3 OH2 OT -0.834000 15.9994 0
+ 2482 WT1 1610 TIP3 H1 HT 0.417000 1.0080 0
+ 2483 WT1 1610 TIP3 H2 HT 0.417000 1.0080 0
+ 2484 WT1 1611 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2486 WT1 1611 TIP3 H2 HT 0.417000 1.0080 0
+ 2487 WT1 1612 TIP3 OH2 OT -0.834000 15.9994 0
+ 2488 WT1 1612 TIP3 H1 HT 0.417000 1.0080 0
+ 2489 WT1 1612 TIP3 H2 HT 0.417000 1.0080 0
+ 2490 WT1 1616 TIP3 OH2 OT -0.834000 15.9994 0
+ 2491 WT1 1616 TIP3 H1 HT 0.417000 1.0080 0
+ 2492 WT1 1616 TIP3 H2 HT 0.417000 1.0080 0
+ 2493 WT1 1617 TIP3 OH2 OT -0.834000 15.9994 0
+ 2494 WT1 1617 TIP3 H1 HT 0.417000 1.0080 0
+ 2495 WT1 1617 TIP3 H2 HT 0.417000 1.0080 0
+ 2496 WT1 1618 TIP3 OH2 OT -0.834000 15.9994 0
+ 2497 WT1 1618 TIP3 H1 HT 0.417000 1.0080 0
+ 2498 WT1 1618 TIP3 H2 HT 0.417000 1.0080 0
+ 2499 WT1 1620 TIP3 OH2 OT -0.834000 15.9994 0
+ 2500 WT1 1620 TIP3 H1 HT 0.417000 1.0080 0
+ 2501 WT1 1620 TIP3 H2 HT 0.417000 1.0080 0
+ 2502 WT1 1622 TIP3 OH2 OT -0.834000 15.9994 0
+ 2503 WT1 1622 TIP3 H1 HT 0.417000 1.0080 0
+ 2504 WT1 1622 TIP3 H2 HT 0.417000 1.0080 0
+ 2505 WT1 1623 TIP3 OH2 OT -0.834000 15.9994 0
+ 2506 WT1 1623 TIP3 H1 HT 0.417000 1.0080 0
+ 2507 WT1 1623 TIP3 H2 HT 0.417000 1.0080 0
+ 2508 WT1 1625 TIP3 OH2 OT -0.834000 15.9994 0
+ 2509 WT1 1625 TIP3 H1 HT 0.417000 1.0080 0
+ 2510 WT1 1625 TIP3 H2 HT 0.417000 1.0080 0
+ 2511 WT1 1626 TIP3 OH2 OT -0.834000 15.9994 0
+ 2512 WT1 1626 TIP3 H1 HT 0.417000 1.0080 0
+ 2513 WT1 1626 TIP3 H2 HT 0.417000 1.0080 0
+ 2514 WT1 1627 TIP3 OH2 OT -0.834000 15.9994 0
+ 2515 WT1 1627 TIP3 H1 HT 0.417000 1.0080 0
+ 2516 WT1 1627 TIP3 H2 HT 0.417000 1.0080 0
+ 2517 WT1 1628 TIP3 OH2 OT -0.834000 15.9994 0
+ 2518 WT1 1628 TIP3 H1 HT 0.417000 1.0080 0
+ 2519 WT1 1628 TIP3 H2 HT 0.417000 1.0080 0
+ 2520 WT1 1629 TIP3 OH2 OT -0.834000 15.9994 0
+ 2521 WT1 1629 TIP3 H1 HT 0.417000 1.0080 0
+ 2522 WT1 1629 TIP3 H2 HT 0.417000 1.0080 0
+ 2523 WT1 1632 TIP3 OH2 OT -0.834000 15.9994 0
+ 2524 WT1 1632 TIP3 H1 HT 0.417000 1.0080 0
+ 2525 WT1 1632 TIP3 H2 HT 0.417000 1.0080 0
+ 2526 WT1 1638 TIP3 OH2 OT -0.834000 15.9994 0
+ 2527 WT1 1638 TIP3 H1 HT 0.417000 1.0080 0
+ 2528 WT1 1638 TIP3 H2 HT 0.417000 1.0080 0
+ 2529 WT1 1639 TIP3 OH2 OT -0.834000 15.9994 0
+ 2530 WT1 1639 TIP3 H1 HT 0.417000 1.0080 0
+ 2531 WT1 1639 TIP3 H2 HT 0.417000 1.0080 0
+ 2532 WT1 1641 TIP3 OH2 OT -0.834000 15.9994 0
+ 2533 WT1 1641 TIP3 H1 HT 0.417000 1.0080 0
+ 2534 WT1 1641 TIP3 H2 HT 0.417000 1.0080 0
+ 2535 WT1 1642 TIP3 OH2 OT -0.834000 15.9994 0
+ 2536 WT1 1642 TIP3 H1 HT 0.417000 1.0080 0
+ 2537 WT1 1642 TIP3 H2 HT 0.417000 1.0080 0
+ 2538 WT1 1643 TIP3 OH2 OT -0.834000 15.9994 0
+ 2539 WT1 1643 TIP3 H1 HT 0.417000 1.0080 0
+ 2540 WT1 1643 TIP3 H2 HT 0.417000 1.0080 0
+ 2541 WT1 1644 TIP3 OH2 OT -0.834000 15.9994 0
+ 2542 WT1 1644 TIP3 H1 HT 0.417000 1.0080 0
+ 2543 WT1 1644 TIP3 H2 HT 0.417000 1.0080 0
+ 2544 WT1 1645 TIP3 OH2 OT -0.834000 15.9994 0
+ 2545 WT1 1645 TIP3 H1 HT 0.417000 1.0080 0
+ 2546 WT1 1645 TIP3 H2 HT 0.417000 1.0080 0
+ 2547 WT1 1646 TIP3 OH2 OT -0.834000 15.9994 0
+ 2548 WT1 1646 TIP3 H1 HT 0.417000 1.0080 0
+ 2549 WT1 1646 TIP3 H2 HT 0.417000 1.0080 0
+ 2550 WT1 1647 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2553 WT1 1648 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2558 WT1 1649 TIP3 H2 HT 0.417000 1.0080 0
+ 2559 WT1 1651 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2562 WT1 1653 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2577 WT1 1661 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2580 WT1 1663 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2583 WT1 1664 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2589 WT1 1667 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2592 WT1 1668 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2595 WT1 1670 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2598 WT1 1671 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2601 WT1 1681 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2607 WT1 1686 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2610 WT1 1687 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2613 WT1 1688 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2616 WT1 1689 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2619 WT1 1691 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2622 WT1 1692 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2624 WT1 1692 TIP3 H2 HT 0.417000 1.0080 0
+ 2625 WT1 1693 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2628 WT1 1695 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2631 WT1 1701 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2634 WT1 1702 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2637 WT1 1704 TIP3 OH2 OT -0.834000 15.9994 0
+ 2638 WT1 1704 TIP3 H1 HT 0.417000 1.0080 0
+ 2639 WT1 1704 TIP3 H2 HT 0.417000 1.0080 0
+ 2640 WT1 1706 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2646 WT1 1708 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2649 WT1 1709 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2652 WT1 1711 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2654 WT1 1711 TIP3 H2 HT 0.417000 1.0080 0
+ 2655 WT1 1713 TIP3 OH2 OT -0.834000 15.9994 0
+ 2656 WT1 1713 TIP3 H1 HT 0.417000 1.0080 0
+ 2657 WT1 1713 TIP3 H2 HT 0.417000 1.0080 0
+ 2658 WT1 1718 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2660 WT1 1718 TIP3 H2 HT 0.417000 1.0080 0
+ 2661 WT1 1719 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2664 WT1 1722 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2667 WT1 1723 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2669 WT1 1723 TIP3 H2 HT 0.417000 1.0080 0
+ 2670 WT1 1725 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2673 WT1 1727 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2676 WT1 1728 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2679 WT1 1729 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2681 WT1 1729 TIP3 H2 HT 0.417000 1.0080 0
+ 2682 WT1 1730 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2688 WT1 1732 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2690 WT1 1732 TIP3 H2 HT 0.417000 1.0080 0
+ 2691 WT1 1733 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2694 WT1 1734 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2853 WT1 1829 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2856 WT1 1830 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2859 WT1 1831 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2862 WT1 1832 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2871 WT1 1836 TIP3 OH2 OT -0.834000 15.9994 0
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+ 2877 WT1 1838 TIP3 OH2 OT -0.834000 15.9994 0
+ 2878 WT1 1838 TIP3 H1 HT 0.417000 1.0080 0
+ 2879 WT1 1838 TIP3 H2 HT 0.417000 1.0080 0
+ 2880 WT1 1839 TIP3 OH2 OT -0.834000 15.9994 0
+ 2881 WT1 1839 TIP3 H1 HT 0.417000 1.0080 0
+ 2882 WT1 1839 TIP3 H2 HT 0.417000 1.0080 0
+ 2883 WT1 1840 TIP3 OH2 OT -0.834000 15.9994 0
+ 2884 WT1 1840 TIP3 H1 HT 0.417000 1.0080 0
+ 2885 WT1 1840 TIP3 H2 HT 0.417000 1.0080 0
+ 2886 WT1 1841 TIP3 OH2 OT -0.834000 15.9994 0
+ 2887 WT1 1841 TIP3 H1 HT 0.417000 1.0080 0
+ 2888 WT1 1841 TIP3 H2 HT 0.417000 1.0080 0
+ 2889 WT1 1842 TIP3 OH2 OT -0.834000 15.9994 0
+ 2890 WT1 1842 TIP3 H1 HT 0.417000 1.0080 0
+ 2891 WT1 1842 TIP3 H2 HT 0.417000 1.0080 0
+ 2892 WT1 1844 TIP3 OH2 OT -0.834000 15.9994 0
+ 2893 WT1 1844 TIP3 H1 HT 0.417000 1.0080 0
+ 2894 WT1 1844 TIP3 H2 HT 0.417000 1.0080 0
+ 2895 WT1 1847 TIP3 OH2 OT -0.834000 15.9994 0
+ 2896 WT1 1847 TIP3 H1 HT 0.417000 1.0080 0
+ 2897 WT1 1847 TIP3 H2 HT 0.417000 1.0080 0
+ 2898 WT1 1850 TIP3 OH2 OT -0.834000 15.9994 0
+ 2899 WT1 1850 TIP3 H1 HT 0.417000 1.0080 0
+ 2900 WT1 1850 TIP3 H2 HT 0.417000 1.0080 0
+ 2901 WT1 1851 TIP3 OH2 OT -0.834000 15.9994 0
+ 2902 WT1 1851 TIP3 H1 HT 0.417000 1.0080 0
+ 2903 WT1 1851 TIP3 H2 HT 0.417000 1.0080 0
+ 2904 WT1 1852 TIP3 OH2 OT -0.834000 15.9994 0
+ 2905 WT1 1852 TIP3 H1 HT 0.417000 1.0080 0
+ 2906 WT1 1852 TIP3 H2 HT 0.417000 1.0080 0
+ 2907 WT1 1853 TIP3 OH2 OT -0.834000 15.9994 0
+ 2908 WT1 1853 TIP3 H1 HT 0.417000 1.0080 0
+ 2909 WT1 1853 TIP3 H2 HT 0.417000 1.0080 0
+ 2910 WT1 1854 TIP3 OH2 OT -0.834000 15.9994 0
+ 2911 WT1 1854 TIP3 H1 HT 0.417000 1.0080 0
+ 2912 WT1 1854 TIP3 H2 HT 0.417000 1.0080 0
+ 2913 WT1 1856 TIP3 OH2 OT -0.834000 15.9994 0
+ 2914 WT1 1856 TIP3 H1 HT 0.417000 1.0080 0
+ 2915 WT1 1856 TIP3 H2 HT 0.417000 1.0080 0
+ 2916 WT1 1857 TIP3 OH2 OT -0.834000 15.9994 0
+ 2917 WT1 1857 TIP3 H1 HT 0.417000 1.0080 0
+ 2918 WT1 1857 TIP3 H2 HT 0.417000 1.0080 0
+ 2919 WT1 1858 TIP3 OH2 OT -0.834000 15.9994 0
+ 2920 WT1 1858 TIP3 H1 HT 0.417000 1.0080 0
+ 2921 WT1 1858 TIP3 H2 HT 0.417000 1.0080 0
+ 2922 WT1 1859 TIP3 OH2 OT -0.834000 15.9994 0
+ 2923 WT1 1859 TIP3 H1 HT 0.417000 1.0080 0
+ 2924 WT1 1859 TIP3 H2 HT 0.417000 1.0080 0
+ 2925 WT1 1860 TIP3 OH2 OT -0.834000 15.9994 0
+ 2926 WT1 1860 TIP3 H1 HT 0.417000 1.0080 0
+ 2927 WT1 1860 TIP3 H2 HT 0.417000 1.0080 0
+ 2928 WT1 1862 TIP3 OH2 OT -0.834000 15.9994 0
+ 2929 WT1 1862 TIP3 H1 HT 0.417000 1.0080 0
+ 2930 WT1 1862 TIP3 H2 HT 0.417000 1.0080 0
+ 2931 WT1 1864 TIP3 OH2 OT -0.834000 15.9994 0
+ 2932 WT1 1864 TIP3 H1 HT 0.417000 1.0080 0
+ 2933 WT1 1864 TIP3 H2 HT 0.417000 1.0080 0
+ 2934 WT1 1866 TIP3 OH2 OT -0.834000 15.9994 0
+ 2935 WT1 1866 TIP3 H1 HT 0.417000 1.0080 0
+ 2936 WT1 1866 TIP3 H2 HT 0.417000 1.0080 0
+ 2937 WT1 1870 TIP3 OH2 OT -0.834000 15.9994 0
+ 2938 WT1 1870 TIP3 H1 HT 0.417000 1.0080 0
+ 2939 WT1 1870 TIP3 H2 HT 0.417000 1.0080 0
+ 2940 WT1 1871 TIP3 OH2 OT -0.834000 15.9994 0
+ 2941 WT1 1871 TIP3 H1 HT 0.417000 1.0080 0
+ 2942 WT1 1871 TIP3 H2 HT 0.417000 1.0080 0
+ 2943 WT1 1872 TIP3 OH2 OT -0.834000 15.9994 0
+ 2944 WT1 1872 TIP3 H1 HT 0.417000 1.0080 0
+ 2945 WT1 1872 TIP3 H2 HT 0.417000 1.0080 0
+ 2946 WT1 1873 TIP3 OH2 OT -0.834000 15.9994 0
+ 2947 WT1 1873 TIP3 H1 HT 0.417000 1.0080 0
+ 2948 WT1 1873 TIP3 H2 HT 0.417000 1.0080 0
+ 2949 WT1 1874 TIP3 OH2 OT -0.834000 15.9994 0
+ 2950 WT1 1874 TIP3 H1 HT 0.417000 1.0080 0
+ 2951 WT1 1874 TIP3 H2 HT 0.417000 1.0080 0
+ 2952 WT1 1875 TIP3 OH2 OT -0.834000 15.9994 0
+ 2953 WT1 1875 TIP3 H1 HT 0.417000 1.0080 0
+ 2954 WT1 1875 TIP3 H2 HT 0.417000 1.0080 0
+ 2955 WT1 1876 TIP3 OH2 OT -0.834000 15.9994 0
+ 2956 WT1 1876 TIP3 H1 HT 0.417000 1.0080 0
+ 2957 WT1 1876 TIP3 H2 HT 0.417000 1.0080 0
+ 2958 WT1 1878 TIP3 OH2 OT -0.834000 15.9994 0
+ 2959 WT1 1878 TIP3 H1 HT 0.417000 1.0080 0
+ 2960 WT1 1878 TIP3 H2 HT 0.417000 1.0080 0
+ 2961 WT1 1879 TIP3 OH2 OT -0.834000 15.9994 0
+ 2962 WT1 1879 TIP3 H1 HT 0.417000 1.0080 0
+ 2963 WT1 1879 TIP3 H2 HT 0.417000 1.0080 0
+ 2964 WT1 1880 TIP3 OH2 OT -0.834000 15.9994 0
+ 2965 WT1 1880 TIP3 H1 HT 0.417000 1.0080 0
+ 2966 WT1 1880 TIP3 H2 HT 0.417000 1.0080 0
+ 2967 WT1 1881 TIP3 OH2 OT -0.834000 15.9994 0
+ 2968 WT1 1881 TIP3 H1 HT 0.417000 1.0080 0
+ 2969 WT1 1881 TIP3 H2 HT 0.417000 1.0080 0
+ 2970 WT1 1882 TIP3 OH2 OT -0.834000 15.9994 0
+ 2971 WT1 1882 TIP3 H1 HT 0.417000 1.0080 0
+ 2972 WT1 1882 TIP3 H2 HT 0.417000 1.0080 0
+ 2973 WT1 1883 TIP3 OH2 OT -0.834000 15.9994 0
+ 2974 WT1 1883 TIP3 H1 HT 0.417000 1.0080 0
+ 2975 WT1 1883 TIP3 H2 HT 0.417000 1.0080 0
+ 2976 WT1 1885 TIP3 OH2 OT -0.834000 15.9994 0
+ 2977 WT1 1885 TIP3 H1 HT 0.417000 1.0080 0
+ 2978 WT1 1885 TIP3 H2 HT 0.417000 1.0080 0
+ 2979 WT1 1891 TIP3 OH2 OT -0.834000 15.9994 0
+ 2980 WT1 1891 TIP3 H1 HT 0.417000 1.0080 0
+ 2981 WT1 1891 TIP3 H2 HT 0.417000 1.0080 0
+ 2982 WT1 1892 TIP3 OH2 OT -0.834000 15.9994 0
+ 2983 WT1 1892 TIP3 H1 HT 0.417000 1.0080 0
+ 2984 WT1 1892 TIP3 H2 HT 0.417000 1.0080 0
+ 2985 WT1 1894 TIP3 OH2 OT -0.834000 15.9994 0
+ 2986 WT1 1894 TIP3 H1 HT 0.417000 1.0080 0
+ 2987 WT1 1894 TIP3 H2 HT 0.417000 1.0080 0
+ 2988 WT1 1895 TIP3 OH2 OT -0.834000 15.9994 0
+ 2989 WT1 1895 TIP3 H1 HT 0.417000 1.0080 0
+ 2990 WT1 1895 TIP3 H2 HT 0.417000 1.0080 0
+ 2991 WT1 1896 TIP3 OH2 OT -0.834000 15.9994 0
+ 2992 WT1 1896 TIP3 H1 HT 0.417000 1.0080 0
+ 2993 WT1 1896 TIP3 H2 HT 0.417000 1.0080 0
+ 2994 WT1 1897 TIP3 OH2 OT -0.834000 15.9994 0
+ 2995 WT1 1897 TIP3 H1 HT 0.417000 1.0080 0
+ 2996 WT1 1897 TIP3 H2 HT 0.417000 1.0080 0
+ 2997 WT1 1898 TIP3 OH2 OT -0.834000 15.9994 0
+ 2998 WT1 1898 TIP3 H1 HT 0.417000 1.0080 0
+ 2999 WT1 1898 TIP3 H2 HT 0.417000 1.0080 0
+ 3000 WT1 1899 TIP3 OH2 OT -0.834000 15.9994 0
+ 3001 WT1 1899 TIP3 H1 HT 0.417000 1.0080 0
+ 3002 WT1 1899 TIP3 H2 HT 0.417000 1.0080 0
+ 3003 WT1 1900 TIP3 OH2 OT -0.834000 15.9994 0
+ 3004 WT1 1900 TIP3 H1 HT 0.417000 1.0080 0
+ 3005 WT1 1900 TIP3 H2 HT 0.417000 1.0080 0
+ 3006 WT1 1901 TIP3 OH2 OT -0.834000 15.9994 0
+ 3007 WT1 1901 TIP3 H1 HT 0.417000 1.0080 0
+ 3008 WT1 1901 TIP3 H2 HT 0.417000 1.0080 0
+ 3009 WT1 1902 TIP3 OH2 OT -0.834000 15.9994 0
+ 3010 WT1 1902 TIP3 H1 HT 0.417000 1.0080 0
+ 3011 WT1 1902 TIP3 H2 HT 0.417000 1.0080 0
+ 3012 WT1 1906 TIP3 OH2 OT -0.834000 15.9994 0
+ 3013 WT1 1906 TIP3 H1 HT 0.417000 1.0080 0
+ 3014 WT1 1906 TIP3 H2 HT 0.417000 1.0080 0
+ 3015 WT1 1907 TIP3 OH2 OT -0.834000 15.9994 0
+ 3016 WT1 1907 TIP3 H1 HT 0.417000 1.0080 0
+ 3017 WT1 1907 TIP3 H2 HT 0.417000 1.0080 0
+ 3018 WT1 1911 TIP3 OH2 OT -0.834000 15.9994 0
+ 3019 WT1 1911 TIP3 H1 HT 0.417000 1.0080 0
+ 3020 WT1 1911 TIP3 H2 HT 0.417000 1.0080 0
+ 3021 WT1 1912 TIP3 OH2 OT -0.834000 15.9994 0
+ 3022 WT1 1912 TIP3 H1 HT 0.417000 1.0080 0
+ 3023 WT1 1912 TIP3 H2 HT 0.417000 1.0080 0
+ 3024 WT1 1913 TIP3 OH2 OT -0.834000 15.9994 0
+ 3025 WT1 1913 TIP3 H1 HT 0.417000 1.0080 0
+ 3026 WT1 1913 TIP3 H2 HT 0.417000 1.0080 0
+ 3027 WT1 1914 TIP3 OH2 OT -0.834000 15.9994 0
+ 3028 WT1 1914 TIP3 H1 HT 0.417000 1.0080 0
+ 3029 WT1 1914 TIP3 H2 HT 0.417000 1.0080 0
+ 3030 WT1 1915 TIP3 OH2 OT -0.834000 15.9994 0
+ 3031 WT1 1915 TIP3 H1 HT 0.417000 1.0080 0
+ 3032 WT1 1915 TIP3 H2 HT 0.417000 1.0080 0
+ 3033 WT1 1916 TIP3 OH2 OT -0.834000 15.9994 0
+ 3034 WT1 1916 TIP3 H1 HT 0.417000 1.0080 0
+ 3035 WT1 1916 TIP3 H2 HT 0.417000 1.0080 0
+ 3036 WT1 1918 TIP3 OH2 OT -0.834000 15.9994 0
+ 3037 WT1 1918 TIP3 H1 HT 0.417000 1.0080 0
+ 3038 WT1 1918 TIP3 H2 HT 0.417000 1.0080 0
+ 3039 WT1 1919 TIP3 OH2 OT -0.834000 15.9994 0
+ 3040 WT1 1919 TIP3 H1 HT 0.417000 1.0080 0
+ 3041 WT1 1919 TIP3 H2 HT 0.417000 1.0080 0
+ 3042 WT1 1920 TIP3 OH2 OT -0.834000 15.9994 0
+ 3043 WT1 1920 TIP3 H1 HT 0.417000 1.0080 0
+ 3044 WT1 1920 TIP3 H2 HT 0.417000 1.0080 0
+ 3045 WT1 1921 TIP3 OH2 OT -0.834000 15.9994 0
+ 3046 WT1 1921 TIP3 H1 HT 0.417000 1.0080 0
+ 3047 WT1 1921 TIP3 H2 HT 0.417000 1.0080 0
+ 3048 WT1 1922 TIP3 OH2 OT -0.834000 15.9994 0
+ 3049 WT1 1922 TIP3 H1 HT 0.417000 1.0080 0
+ 3050 WT1 1922 TIP3 H2 HT 0.417000 1.0080 0
+ 3051 WT1 1923 TIP3 OH2 OT -0.834000 15.9994 0
+ 3052 WT1 1923 TIP3 H1 HT 0.417000 1.0080 0
+ 3053 WT1 1923 TIP3 H2 HT 0.417000 1.0080 0
+ 3054 WT1 1924 TIP3 OH2 OT -0.834000 15.9994 0
+ 3055 WT1 1924 TIP3 H1 HT 0.417000 1.0080 0
+ 3056 WT1 1924 TIP3 H2 HT 0.417000 1.0080 0
+ 3057 WT1 1925 TIP3 OH2 OT -0.834000 15.9994 0
+ 3058 WT1 1925 TIP3 H1 HT 0.417000 1.0080 0
+ 3059 WT1 1925 TIP3 H2 HT 0.417000 1.0080 0
+ 3060 WT1 1926 TIP3 OH2 OT -0.834000 15.9994 0
+ 3061 WT1 1926 TIP3 H1 HT 0.417000 1.0080 0
+ 3062 WT1 1926 TIP3 H2 HT 0.417000 1.0080 0
+ 3063 WT1 1934 TIP3 OH2 OT -0.834000 15.9994 0
+ 3064 WT1 1934 TIP3 H1 HT 0.417000 1.0080 0
+ 3065 WT1 1934 TIP3 H2 HT 0.417000 1.0080 0
+ 3066 WT1 1935 TIP3 OH2 OT -0.834000 15.9994 0
+ 3067 WT1 1935 TIP3 H1 HT 0.417000 1.0080 0
+ 3068 WT1 1935 TIP3 H2 HT 0.417000 1.0080 0
+ 3069 WT1 1936 TIP3 OH2 OT -0.834000 15.9994 0
+ 3070 WT1 1936 TIP3 H1 HT 0.417000 1.0080 0
+ 3071 WT1 1936 TIP3 H2 HT 0.417000 1.0080 0
+ 3072 WT1 1937 TIP3 OH2 OT -0.834000 15.9994 0
+ 3073 WT1 1937 TIP3 H1 HT 0.417000 1.0080 0
+ 3074 WT1 1937 TIP3 H2 HT 0.417000 1.0080 0
+ 3075 WT1 1938 TIP3 OH2 OT -0.834000 15.9994 0
+ 3076 WT1 1938 TIP3 H1 HT 0.417000 1.0080 0
+ 3077 WT1 1938 TIP3 H2 HT 0.417000 1.0080 0
+ 3078 WT1 1939 TIP3 OH2 OT -0.834000 15.9994 0
+ 3079 WT1 1939 TIP3 H1 HT 0.417000 1.0080 0
+ 3080 WT1 1939 TIP3 H2 HT 0.417000 1.0080 0
+ 3081 WT1 1940 TIP3 OH2 OT -0.834000 15.9994 0
+ 3082 WT1 1940 TIP3 H1 HT 0.417000 1.0080 0
+ 3083 WT1 1940 TIP3 H2 HT 0.417000 1.0080 0
+ 3084 WT1 1942 TIP3 OH2 OT -0.834000 15.9994 0
+ 3085 WT1 1942 TIP3 H1 HT 0.417000 1.0080 0
+ 3086 WT1 1942 TIP3 H2 HT 0.417000 1.0080 0
+ 3087 WT1 1943 TIP3 OH2 OT -0.834000 15.9994 0
+ 3088 WT1 1943 TIP3 H1 HT 0.417000 1.0080 0
+ 3089 WT1 1943 TIP3 H2 HT 0.417000 1.0080 0
+ 3090 WT1 1944 TIP3 OH2 OT -0.834000 15.9994 0
+ 3091 WT1 1944 TIP3 H1 HT 0.417000 1.0080 0
+ 3092 WT1 1944 TIP3 H2 HT 0.417000 1.0080 0
+ 3093 WT1 1945 TIP3 OH2 OT -0.834000 15.9994 0
+ 3094 WT1 1945 TIP3 H1 HT 0.417000 1.0080 0
+ 3095 WT1 1945 TIP3 H2 HT 0.417000 1.0080 0
+ 3096 WT1 1946 TIP3 OH2 OT -0.834000 15.9994 0
+ 3097 WT1 1946 TIP3 H1 HT 0.417000 1.0080 0
+ 3098 WT1 1946 TIP3 H2 HT 0.417000 1.0080 0
+ 3099 WT1 1947 TIP3 OH2 OT -0.834000 15.9994 0
+ 3100 WT1 1947 TIP3 H1 HT 0.417000 1.0080 0
+ 3101 WT1 1947 TIP3 H2 HT 0.417000 1.0080 0
+ 3102 WT1 1948 TIP3 OH2 OT -0.834000 15.9994 0
+ 3103 WT1 1948 TIP3 H1 HT 0.417000 1.0080 0
+ 3104 WT1 1948 TIP3 H2 HT 0.417000 1.0080 0
+ 3105 WT1 1949 TIP3 OH2 OT -0.834000 15.9994 0
+ 3106 WT1 1949 TIP3 H1 HT 0.417000 1.0080 0
+ 3107 WT1 1949 TIP3 H2 HT 0.417000 1.0080 0
+ 3108 WT1 1950 TIP3 OH2 OT -0.834000 15.9994 0
+ 3109 WT1 1950 TIP3 H1 HT 0.417000 1.0080 0
+ 3110 WT1 1950 TIP3 H2 HT 0.417000 1.0080 0
+ 3111 WT1 1952 TIP3 OH2 OT -0.834000 15.9994 0
+ 3112 WT1 1952 TIP3 H1 HT 0.417000 1.0080 0
+ 3113 WT1 1952 TIP3 H2 HT 0.417000 1.0080 0
+ 3114 WT1 1953 TIP3 OH2 OT -0.834000 15.9994 0
+ 3115 WT1 1953 TIP3 H1 HT 0.417000 1.0080 0
+ 3116 WT1 1953 TIP3 H2 HT 0.417000 1.0080 0
+ 3117 WT1 1954 TIP3 OH2 OT -0.834000 15.9994 0
+ 3118 WT1 1954 TIP3 H1 HT 0.417000 1.0080 0
+ 3119 WT1 1954 TIP3 H2 HT 0.417000 1.0080 0
+ 3120 WT1 1955 TIP3 OH2 OT -0.834000 15.9994 0
+ 3121 WT1 1955 TIP3 H1 HT 0.417000 1.0080 0
+ 3122 WT1 1955 TIP3 H2 HT 0.417000 1.0080 0
+ 3123 WT1 1960 TIP3 OH2 OT -0.834000 15.9994 0
+ 3124 WT1 1960 TIP3 H1 HT 0.417000 1.0080 0
+ 3125 WT1 1960 TIP3 H2 HT 0.417000 1.0080 0
+ 3126 WT1 1961 TIP3 OH2 OT -0.834000 15.9994 0
+ 3127 WT1 1961 TIP3 H1 HT 0.417000 1.0080 0
+ 3128 WT1 1961 TIP3 H2 HT 0.417000 1.0080 0
+ 3129 WT1 1963 TIP3 OH2 OT -0.834000 15.9994 0
+ 3130 WT1 1963 TIP3 H1 HT 0.417000 1.0080 0
+ 3131 WT1 1963 TIP3 H2 HT 0.417000 1.0080 0
+ 3132 WT1 1965 TIP3 OH2 OT -0.834000 15.9994 0
+ 3133 WT1 1965 TIP3 H1 HT 0.417000 1.0080 0
+ 3134 WT1 1965 TIP3 H2 HT 0.417000 1.0080 0
+ 3135 WT1 1966 TIP3 OH2 OT -0.834000 15.9994 0
+ 3136 WT1 1966 TIP3 H1 HT 0.417000 1.0080 0
+ 3137 WT1 1966 TIP3 H2 HT 0.417000 1.0080 0
+ 3138 WT1 1967 TIP3 OH2 OT -0.834000 15.9994 0
+ 3139 WT1 1967 TIP3 H1 HT 0.417000 1.0080 0
+ 3140 WT1 1967 TIP3 H2 HT 0.417000 1.0080 0
+ 3141 WT1 1968 TIP3 OH2 OT -0.834000 15.9994 0
+ 3142 WT1 1968 TIP3 H1 HT 0.417000 1.0080 0
+ 3143 WT1 1968 TIP3 H2 HT 0.417000 1.0080 0
+ 3144 WT1 1969 TIP3 OH2 OT -0.834000 15.9994 0
+ 3145 WT1 1969 TIP3 H1 HT 0.417000 1.0080 0
+ 3146 WT1 1969 TIP3 H2 HT 0.417000 1.0080 0
+ 3147 WT1 1976 TIP3 OH2 OT -0.834000 15.9994 0
+ 3148 WT1 1976 TIP3 H1 HT 0.417000 1.0080 0
+ 3149 WT1 1976 TIP3 H2 HT 0.417000 1.0080 0
+ 3150 WT1 1977 TIP3 OH2 OT -0.834000 15.9994 0
+ 3151 WT1 1977 TIP3 H1 HT 0.417000 1.0080 0
+ 3152 WT1 1977 TIP3 H2 HT 0.417000 1.0080 0
+ 3153 WT1 1978 TIP3 OH2 OT -0.834000 15.9994 0
+ 3154 WT1 1978 TIP3 H1 HT 0.417000 1.0080 0
+ 3155 WT1 1978 TIP3 H2 HT 0.417000 1.0080 0
+ 3156 WT1 1980 TIP3 OH2 OT -0.834000 15.9994 0
+ 3157 WT1 1980 TIP3 H1 HT 0.417000 1.0080 0
+ 3158 WT1 1980 TIP3 H2 HT 0.417000 1.0080 0
+ 3159 WT1 1981 TIP3 OH2 OT -0.834000 15.9994 0
+ 3160 WT1 1981 TIP3 H1 HT 0.417000 1.0080 0
+ 3161 WT1 1981 TIP3 H2 HT 0.417000 1.0080 0
+ 3162 WT1 1982 TIP3 OH2 OT -0.834000 15.9994 0
+ 3163 WT1 1982 TIP3 H1 HT 0.417000 1.0080 0
+ 3164 WT1 1982 TIP3 H2 HT 0.417000 1.0080 0
+ 3165 WT1 1984 TIP3 OH2 OT -0.834000 15.9994 0
+ 3166 WT1 1984 TIP3 H1 HT 0.417000 1.0080 0
+ 3167 WT1 1984 TIP3 H2 HT 0.417000 1.0080 0
+ 3168 WT1 1986 TIP3 OH2 OT -0.834000 15.9994 0
+ 3169 WT1 1986 TIP3 H1 HT 0.417000 1.0080 0
+ 3170 WT1 1986 TIP3 H2 HT 0.417000 1.0080 0
+ 3171 WT1 1988 TIP3 OH2 OT -0.834000 15.9994 0
+ 3172 WT1 1988 TIP3 H1 HT 0.417000 1.0080 0
+ 3173 WT1 1988 TIP3 H2 HT 0.417000 1.0080 0
+ 3174 WT1 1989 TIP3 OH2 OT -0.834000 15.9994 0
+ 3175 WT1 1989 TIP3 H1 HT 0.417000 1.0080 0
+ 3176 WT1 1989 TIP3 H2 HT 0.417000 1.0080 0
+ 3177 WT1 1993 TIP3 OH2 OT -0.834000 15.9994 0
+ 3178 WT1 1993 TIP3 H1 HT 0.417000 1.0080 0
+ 3179 WT1 1993 TIP3 H2 HT 0.417000 1.0080 0
+ 3180 WT1 1994 TIP3 OH2 OT -0.834000 15.9994 0
+ 3181 WT1 1994 TIP3 H1 HT 0.417000 1.0080 0
+ 3182 WT1 1994 TIP3 H2 HT 0.417000 1.0080 0
+ 3183 WT1 1998 TIP3 OH2 OT -0.834000 15.9994 0
+ 3184 WT1 1998 TIP3 H1 HT 0.417000 1.0080 0
+ 3185 WT1 1998 TIP3 H2 HT 0.417000 1.0080 0
+ 3186 WT1 1999 TIP3 OH2 OT -0.834000 15.9994 0
+ 3187 WT1 1999 TIP3 H1 HT 0.417000 1.0080 0
+ 3188 WT1 1999 TIP3 H2 HT 0.417000 1.0080 0
+ 3189 WT1 2000 TIP3 OH2 OT -0.834000 15.9994 0
+ 3190 WT1 2000 TIP3 H1 HT 0.417000 1.0080 0
+ 3191 WT1 2000 TIP3 H2 HT 0.417000 1.0080 0
+ 3192 WT1 2001 TIP3 OH2 OT -0.834000 15.9994 0
+ 3193 WT1 2001 TIP3 H1 HT 0.417000 1.0080 0
+ 3194 WT1 2001 TIP3 H2 HT 0.417000 1.0080 0
+ 3195 WT1 2002 TIP3 OH2 OT -0.834000 15.9994 0
+ 3196 WT1 2002 TIP3 H1 HT 0.417000 1.0080 0
+ 3197 WT1 2002 TIP3 H2 HT 0.417000 1.0080 0
+ 3198 WT1 2003 TIP3 OH2 OT -0.834000 15.9994 0
+ 3199 WT1 2003 TIP3 H1 HT 0.417000 1.0080 0
+ 3200 WT1 2003 TIP3 H2 HT 0.417000 1.0080 0
+ 3201 WT1 2005 TIP3 OH2 OT -0.834000 15.9994 0
+ 3202 WT1 2005 TIP3 H1 HT 0.417000 1.0080 0
+ 3203 WT1 2005 TIP3 H2 HT 0.417000 1.0080 0
+ 3204 WT1 2007 TIP3 OH2 OT -0.834000 15.9994 0
+ 3205 WT1 2007 TIP3 H1 HT 0.417000 1.0080 0
+ 3206 WT1 2007 TIP3 H2 HT 0.417000 1.0080 0
+ 3207 WT1 2009 TIP3 OH2 OT -0.834000 15.9994 0
+ 3208 WT1 2009 TIP3 H1 HT 0.417000 1.0080 0
+ 3209 WT1 2009 TIP3 H2 HT 0.417000 1.0080 0
+ 3210 WT1 2011 TIP3 OH2 OT -0.834000 15.9994 0
+ 3211 WT1 2011 TIP3 H1 HT 0.417000 1.0080 0
+ 3212 WT1 2011 TIP3 H2 HT 0.417000 1.0080 0
+ 3213 WT1 2014 TIP3 OH2 OT -0.834000 15.9994 0
+ 3214 WT1 2014 TIP3 H1 HT 0.417000 1.0080 0
+ 3215 WT1 2014 TIP3 H2 HT 0.417000 1.0080 0
+ 3216 WT1 2016 TIP3 OH2 OT -0.834000 15.9994 0
+ 3217 WT1 2016 TIP3 H1 HT 0.417000 1.0080 0
+ 3218 WT1 2016 TIP3 H2 HT 0.417000 1.0080 0
+ 3219 WT1 2018 TIP3 OH2 OT -0.834000 15.9994 0
+ 3220 WT1 2018 TIP3 H1 HT 0.417000 1.0080 0
+ 3221 WT1 2018 TIP3 H2 HT 0.417000 1.0080 0
+ 3222 WT1 2021 TIP3 OH2 OT -0.834000 15.9994 0
+ 3223 WT1 2021 TIP3 H1 HT 0.417000 1.0080 0
+ 3224 WT1 2021 TIP3 H2 HT 0.417000 1.0080 0
+ 3225 WT1 2022 TIP3 OH2 OT -0.834000 15.9994 0
+ 3226 WT1 2022 TIP3 H1 HT 0.417000 1.0080 0
+ 3227 WT1 2022 TIP3 H2 HT 0.417000 1.0080 0
+ 3228 WT1 2023 TIP3 OH2 OT -0.834000 15.9994 0
+ 3229 WT1 2023 TIP3 H1 HT 0.417000 1.0080 0
+ 3230 WT1 2023 TIP3 H2 HT 0.417000 1.0080 0
+ 3231 WT1 2024 TIP3 OH2 OT -0.834000 15.9994 0
+ 3232 WT1 2024 TIP3 H1 HT 0.417000 1.0080 0
+ 3233 WT1 2024 TIP3 H2 HT 0.417000 1.0080 0
+ 3234 WT1 2025 TIP3 OH2 OT -0.834000 15.9994 0
+ 3235 WT1 2025 TIP3 H1 HT 0.417000 1.0080 0
+ 3236 WT1 2025 TIP3 H2 HT 0.417000 1.0080 0
+ 3237 WT1 2026 TIP3 OH2 OT -0.834000 15.9994 0
+ 3238 WT1 2026 TIP3 H1 HT 0.417000 1.0080 0
+ 3239 WT1 2026 TIP3 H2 HT 0.417000 1.0080 0
+ 3240 WT1 2027 TIP3 OH2 OT -0.834000 15.9994 0
+ 3241 WT1 2027 TIP3 H1 HT 0.417000 1.0080 0
+ 3242 WT1 2027 TIP3 H2 HT 0.417000 1.0080 0
+ 3243 WT1 2028 TIP3 OH2 OT -0.834000 15.9994 0
+ 3244 WT1 2028 TIP3 H1 HT 0.417000 1.0080 0
+ 3245 WT1 2028 TIP3 H2 HT 0.417000 1.0080 0
+ 3246 WT1 2029 TIP3 OH2 OT -0.834000 15.9994 0
+ 3247 WT1 2029 TIP3 H1 HT 0.417000 1.0080 0
+ 3248 WT1 2029 TIP3 H2 HT 0.417000 1.0080 0
+ 3249 WT1 2031 TIP3 OH2 OT -0.834000 15.9994 0
+ 3250 WT1 2031 TIP3 H1 HT 0.417000 1.0080 0
+ 3251 WT1 2031 TIP3 H2 HT 0.417000 1.0080 0
+ 3252 WT1 2032 TIP3 OH2 OT -0.834000 15.9994 0
+ 3253 WT1 2032 TIP3 H1 HT 0.417000 1.0080 0
+ 3254 WT1 2032 TIP3 H2 HT 0.417000 1.0080 0
+ 3255 WT1 2037 TIP3 OH2 OT -0.834000 15.9994 0
+ 3256 WT1 2037 TIP3 H1 HT 0.417000 1.0080 0
+ 3257 WT1 2037 TIP3 H2 HT 0.417000 1.0080 0
+ 3258 WT1 2038 TIP3 OH2 OT -0.834000 15.9994 0
+ 3259 WT1 2038 TIP3 H1 HT 0.417000 1.0080 0
+ 3260 WT1 2038 TIP3 H2 HT 0.417000 1.0080 0
+ 3261 WT1 2039 TIP3 OH2 OT -0.834000 15.9994 0
+ 3262 WT1 2039 TIP3 H1 HT 0.417000 1.0080 0
+ 3263 WT1 2039 TIP3 H2 HT 0.417000 1.0080 0
+ 3264 WT1 2040 TIP3 OH2 OT -0.834000 15.9994 0
+ 3265 WT1 2040 TIP3 H1 HT 0.417000 1.0080 0
+ 3266 WT1 2040 TIP3 H2 HT 0.417000 1.0080 0
+ 3267 WT1 2041 TIP3 OH2 OT -0.834000 15.9994 0
+ 3268 WT1 2041 TIP3 H1 HT 0.417000 1.0080 0
+ 3269 WT1 2041 TIP3 H2 HT 0.417000 1.0080 0
+ 3270 WT1 2043 TIP3 OH2 OT -0.834000 15.9994 0
+ 3271 WT1 2043 TIP3 H1 HT 0.417000 1.0080 0
+ 3272 WT1 2043 TIP3 H2 HT 0.417000 1.0080 0
+ 3273 WT1 2046 TIP3 OH2 OT -0.834000 15.9994 0
+ 3274 WT1 2046 TIP3 H1 HT 0.417000 1.0080 0
+ 3275 WT1 2046 TIP3 H2 HT 0.417000 1.0080 0
+ 3276 WT1 2047 TIP3 OH2 OT -0.834000 15.9994 0
+ 3277 WT1 2047 TIP3 H1 HT 0.417000 1.0080 0
+ 3278 WT1 2047 TIP3 H2 HT 0.417000 1.0080 0
+ 3279 WT1 2048 TIP3 OH2 OT -0.834000 15.9994 0
+ 3280 WT1 2048 TIP3 H1 HT 0.417000 1.0080 0
+ 3281 WT1 2048 TIP3 H2 HT 0.417000 1.0080 0
+ 3282 WT1 2049 TIP3 OH2 OT -0.834000 15.9994 0
+ 3283 WT1 2049 TIP3 H1 HT 0.417000 1.0080 0
+ 3284 WT1 2049 TIP3 H2 HT 0.417000 1.0080 0
+ 3285 WT1 2050 TIP3 OH2 OT -0.834000 15.9994 0
+ 3286 WT1 2050 TIP3 H1 HT 0.417000 1.0080 0
+ 3287 WT1 2050 TIP3 H2 HT 0.417000 1.0080 0
+ 3288 WT1 2052 TIP3 OH2 OT -0.834000 15.9994 0
+ 3289 WT1 2052 TIP3 H1 HT 0.417000 1.0080 0
+ 3290 WT1 2052 TIP3 H2 HT 0.417000 1.0080 0
+ 3291 WT1 2053 TIP3 OH2 OT -0.834000 15.9994 0
+ 3292 WT1 2053 TIP3 H1 HT 0.417000 1.0080 0
+ 3293 WT1 2053 TIP3 H2 HT 0.417000 1.0080 0
+ 3294 WT1 2060 TIP3 OH2 OT -0.834000 15.9994 0
+ 3295 WT1 2060 TIP3 H1 HT 0.417000 1.0080 0
+ 3296 WT1 2060 TIP3 H2 HT 0.417000 1.0080 0
+ 3297 WT1 2061 TIP3 OH2 OT -0.834000 15.9994 0
+ 3298 WT1 2061 TIP3 H1 HT 0.417000 1.0080 0
+ 3299 WT1 2061 TIP3 H2 HT 0.417000 1.0080 0
+ 3300 WT1 2063 TIP3 OH2 OT -0.834000 15.9994 0
+ 3301 WT1 2063 TIP3 H1 HT 0.417000 1.0080 0
+ 3302 WT1 2063 TIP3 H2 HT 0.417000 1.0080 0
+ 3303 WT1 2064 TIP3 OH2 OT -0.834000 15.9994 0
+ 3304 WT1 2064 TIP3 H1 HT 0.417000 1.0080 0
+ 3305 WT1 2064 TIP3 H2 HT 0.417000 1.0080 0
+ 3306 WT1 2065 TIP3 OH2 OT -0.834000 15.9994 0
+ 3307 WT1 2065 TIP3 H1 HT 0.417000 1.0080 0
+ 3308 WT1 2065 TIP3 H2 HT 0.417000 1.0080 0
+ 3309 WT1 2066 TIP3 OH2 OT -0.834000 15.9994 0
+ 3310 WT1 2066 TIP3 H1 HT 0.417000 1.0080 0
+ 3311 WT1 2066 TIP3 H2 HT 0.417000 1.0080 0
+ 3312 WT1 2067 TIP3 OH2 OT -0.834000 15.9994 0
+ 3313 WT1 2067 TIP3 H1 HT 0.417000 1.0080 0
+ 3314 WT1 2067 TIP3 H2 HT 0.417000 1.0080 0
+ 3315 WT1 2068 TIP3 OH2 OT -0.834000 15.9994 0
+ 3316 WT1 2068 TIP3 H1 HT 0.417000 1.0080 0
+ 3317 WT1 2068 TIP3 H2 HT 0.417000 1.0080 0
+ 3318 WT1 2069 TIP3 OH2 OT -0.834000 15.9994 0
+ 3319 WT1 2069 TIP3 H1 HT 0.417000 1.0080 0
+ 3320 WT1 2069 TIP3 H2 HT 0.417000 1.0080 0
+ 3321 WT1 2070 TIP3 OH2 OT -0.834000 15.9994 0
+ 3322 WT1 2070 TIP3 H1 HT 0.417000 1.0080 0
+ 3323 WT1 2070 TIP3 H2 HT 0.417000 1.0080 0
+ 3324 WT1 2072 TIP3 OH2 OT -0.834000 15.9994 0
+ 3325 WT1 2072 TIP3 H1 HT 0.417000 1.0080 0
+ 3326 WT1 2072 TIP3 H2 HT 0.417000 1.0080 0
+ 3327 WT1 2073 TIP3 OH2 OT -0.834000 15.9994 0
+ 3328 WT1 2073 TIP3 H1 HT 0.417000 1.0080 0
+ 3329 WT1 2073 TIP3 H2 HT 0.417000 1.0080 0
+ 3330 WT1 2079 TIP3 OH2 OT -0.834000 15.9994 0
+ 3331 WT1 2079 TIP3 H1 HT 0.417000 1.0080 0
+ 3332 WT1 2079 TIP3 H2 HT 0.417000 1.0080 0
+ 3333 WT1 2081 TIP3 OH2 OT -0.834000 15.9994 0
+ 3334 WT1 2081 TIP3 H1 HT 0.417000 1.0080 0
+ 3335 WT1 2081 TIP3 H2 HT 0.417000 1.0080 0
+ 3336 WT1 2082 TIP3 OH2 OT -0.834000 15.9994 0
+ 3337 WT1 2082 TIP3 H1 HT 0.417000 1.0080 0
+ 3338 WT1 2082 TIP3 H2 HT 0.417000 1.0080 0
+ 3339 WT1 2083 TIP3 OH2 OT -0.834000 15.9994 0
+ 3340 WT1 2083 TIP3 H1 HT 0.417000 1.0080 0
+ 3341 WT1 2083 TIP3 H2 HT 0.417000 1.0080 0
+ 3342 WT1 2084 TIP3 OH2 OT -0.834000 15.9994 0
+ 3343 WT1 2084 TIP3 H1 HT 0.417000 1.0080 0
+ 3344 WT1 2084 TIP3 H2 HT 0.417000 1.0080 0
+ 3345 WT1 2087 TIP3 OH2 OT -0.834000 15.9994 0
+ 3346 WT1 2087 TIP3 H1 HT 0.417000 1.0080 0
+ 3347 WT1 2087 TIP3 H2 HT 0.417000 1.0080 0
+ 3348 WT1 2088 TIP3 OH2 OT -0.834000 15.9994 0
+ 3349 WT1 2088 TIP3 H1 HT 0.417000 1.0080 0
+ 3350 WT1 2088 TIP3 H2 HT 0.417000 1.0080 0
+ 3351 WT1 2089 TIP3 OH2 OT -0.834000 15.9994 0
+ 3352 WT1 2089 TIP3 H1 HT 0.417000 1.0080 0
+ 3353 WT1 2089 TIP3 H2 HT 0.417000 1.0080 0
+ 3354 WT1 2090 TIP3 OH2 OT -0.834000 15.9994 0
+ 3355 WT1 2090 TIP3 H1 HT 0.417000 1.0080 0
+ 3356 WT1 2090 TIP3 H2 HT 0.417000 1.0080 0
+ 3357 WT1 2092 TIP3 OH2 OT -0.834000 15.9994 0
+ 3358 WT1 2092 TIP3 H1 HT 0.417000 1.0080 0
+ 3359 WT1 2092 TIP3 H2 HT 0.417000 1.0080 0
+ 3360 WT1 2093 TIP3 OH2 OT -0.834000 15.9994 0
+ 3361 WT1 2093 TIP3 H1 HT 0.417000 1.0080 0
+ 3362 WT1 2093 TIP3 H2 HT 0.417000 1.0080 0
+ 3363 WT1 2095 TIP3 OH2 OT -0.834000 15.9994 0
+ 3364 WT1 2095 TIP3 H1 HT 0.417000 1.0080 0
+ 3365 WT1 2095 TIP3 H2 HT 0.417000 1.0080 0
+ 3366 WT1 2098 TIP3 OH2 OT -0.834000 15.9994 0
+ 3367 WT1 2098 TIP3 H1 HT 0.417000 1.0080 0
+ 3368 WT1 2098 TIP3 H2 HT 0.417000 1.0080 0
+ 3369 WT1 2102 TIP3 OH2 OT -0.834000 15.9994 0
+ 3370 WT1 2102 TIP3 H1 HT 0.417000 1.0080 0
+ 3371 WT1 2102 TIP3 H2 HT 0.417000 1.0080 0
+ 3372 WT1 2103 TIP3 OH2 OT -0.834000 15.9994 0
+ 3373 WT1 2103 TIP3 H1 HT 0.417000 1.0080 0
+ 3374 WT1 2103 TIP3 H2 HT 0.417000 1.0080 0
+ 3375 WT1 2104 TIP3 OH2 OT -0.834000 15.9994 0
+ 3376 WT1 2104 TIP3 H1 HT 0.417000 1.0080 0
+ 3377 WT1 2104 TIP3 H2 HT 0.417000 1.0080 0
+ 3378 WT1 2105 TIP3 OH2 OT -0.834000 15.9994 0
+ 3379 WT1 2105 TIP3 H1 HT 0.417000 1.0080 0
+ 3380 WT1 2105 TIP3 H2 HT 0.417000 1.0080 0
+ 3381 WT1 2106 TIP3 OH2 OT -0.834000 15.9994 0
+ 3382 WT1 2106 TIP3 H1 HT 0.417000 1.0080 0
+ 3383 WT1 2106 TIP3 H2 HT 0.417000 1.0080 0
+ 3384 WT1 2107 TIP3 OH2 OT -0.834000 15.9994 0
+ 3385 WT1 2107 TIP3 H1 HT 0.417000 1.0080 0
+ 3386 WT1 2107 TIP3 H2 HT 0.417000 1.0080 0
+ 3387 WT1 2108 TIP3 OH2 OT -0.834000 15.9994 0
+ 3388 WT1 2108 TIP3 H1 HT 0.417000 1.0080 0
+ 3389 WT1 2108 TIP3 H2 HT 0.417000 1.0080 0
+ 3390 WT1 2109 TIP3 OH2 OT -0.834000 15.9994 0
+ 3391 WT1 2109 TIP3 H1 HT 0.417000 1.0080 0
+ 3392 WT1 2109 TIP3 H2 HT 0.417000 1.0080 0
+ 3393 WT1 2110 TIP3 OH2 OT -0.834000 15.9994 0
+ 3394 WT1 2110 TIP3 H1 HT 0.417000 1.0080 0
+ 3395 WT1 2110 TIP3 H2 HT 0.417000 1.0080 0
+ 3396 WT1 2111 TIP3 OH2 OT -0.834000 15.9994 0
+ 3397 WT1 2111 TIP3 H1 HT 0.417000 1.0080 0
+ 3398 WT1 2111 TIP3 H2 HT 0.417000 1.0080 0
+ 3399 WT1 2112 TIP3 OH2 OT -0.834000 15.9994 0
+ 3400 WT1 2112 TIP3 H1 HT 0.417000 1.0080 0
+ 3401 WT1 2112 TIP3 H2 HT 0.417000 1.0080 0
+ 3402 WT1 2116 TIP3 OH2 OT -0.834000 15.9994 0
+ 3403 WT1 2116 TIP3 H1 HT 0.417000 1.0080 0
+ 3404 WT1 2116 TIP3 H2 HT 0.417000 1.0080 0
+ 3405 WT1 2122 TIP3 OH2 OT -0.834000 15.9994 0
+ 3406 WT1 2122 TIP3 H1 HT 0.417000 1.0080 0
+ 3407 WT1 2122 TIP3 H2 HT 0.417000 1.0080 0
+ 3408 WT1 2123 TIP3 OH2 OT -0.834000 15.9994 0
+ 3409 WT1 2123 TIP3 H1 HT 0.417000 1.0080 0
+ 3410 WT1 2123 TIP3 H2 HT 0.417000 1.0080 0
+ 3411 WT1 2124 TIP3 OH2 OT -0.834000 15.9994 0
+ 3412 WT1 2124 TIP3 H1 HT 0.417000 1.0080 0
+ 3413 WT1 2124 TIP3 H2 HT 0.417000 1.0080 0
+ 3414 WT1 2125 TIP3 OH2 OT -0.834000 15.9994 0
+ 3415 WT1 2125 TIP3 H1 HT 0.417000 1.0080 0
+ 3416 WT1 2125 TIP3 H2 HT 0.417000 1.0080 0
+ 3417 WT1 2126 TIP3 OH2 OT -0.834000 15.9994 0
+ 3418 WT1 2126 TIP3 H1 HT 0.417000 1.0080 0
+ 3419 WT1 2126 TIP3 H2 HT 0.417000 1.0080 0
+ 3420 WT1 2127 TIP3 OH2 OT -0.834000 15.9994 0
+ 3421 WT1 2127 TIP3 H1 HT 0.417000 1.0080 0
+ 3422 WT1 2127 TIP3 H2 HT 0.417000 1.0080 0
+ 3423 WT1 2128 TIP3 OH2 OT -0.834000 15.9994 0
+ 3424 WT1 2128 TIP3 H1 HT 0.417000 1.0080 0
+ 3425 WT1 2128 TIP3 H2 HT 0.417000 1.0080 0
+ 3426 WT1 2129 TIP3 OH2 OT -0.834000 15.9994 0
+ 3427 WT1 2129 TIP3 H1 HT 0.417000 1.0080 0
+ 3428 WT1 2129 TIP3 H2 HT 0.417000 1.0080 0
+ 3429 WT1 2131 TIP3 OH2 OT -0.834000 15.9994 0
+ 3430 WT1 2131 TIP3 H1 HT 0.417000 1.0080 0
+ 3431 WT1 2131 TIP3 H2 HT 0.417000 1.0080 0
+ 3432 WT1 2132 TIP3 OH2 OT -0.834000 15.9994 0
+ 3433 WT1 2132 TIP3 H1 HT 0.417000 1.0080 0
+ 3434 WT1 2132 TIP3 H2 HT 0.417000 1.0080 0
+ 3435 WT1 2133 TIP3 OH2 OT -0.834000 15.9994 0
+ 3436 WT1 2133 TIP3 H1 HT 0.417000 1.0080 0
+ 3437 WT1 2133 TIP3 H2 HT 0.417000 1.0080 0
+ 3438 WT1 2135 TIP3 OH2 OT -0.834000 15.9994 0
+ 3439 WT1 2135 TIP3 H1 HT 0.417000 1.0080 0
+ 3440 WT1 2135 TIP3 H2 HT 0.417000 1.0080 0
+ 3441 WT1 2136 TIP3 OH2 OT -0.834000 15.9994 0
+ 3442 WT1 2136 TIP3 H1 HT 0.417000 1.0080 0
+ 3443 WT1 2136 TIP3 H2 HT 0.417000 1.0080 0
+ 3444 WT1 2138 TIP3 OH2 OT -0.834000 15.9994 0
+ 3445 WT1 2138 TIP3 H1 HT 0.417000 1.0080 0
+ 3446 WT1 2138 TIP3 H2 HT 0.417000 1.0080 0
+ 3447 WT1 2143 TIP3 OH2 OT -0.834000 15.9994 0
+ 3448 WT1 2143 TIP3 H1 HT 0.417000 1.0080 0
+ 3449 WT1 2143 TIP3 H2 HT 0.417000 1.0080 0
+ 3450 WT1 2146 TIP3 OH2 OT -0.834000 15.9994 0
+ 3451 WT1 2146 TIP3 H1 HT 0.417000 1.0080 0
+ 3452 WT1 2146 TIP3 H2 HT 0.417000 1.0080 0
+ 3453 WT1 2147 TIP3 OH2 OT -0.834000 15.9994 0
+ 3454 WT1 2147 TIP3 H1 HT 0.417000 1.0080 0
+ 3455 WT1 2147 TIP3 H2 HT 0.417000 1.0080 0
+ 3456 WT1 2148 TIP3 OH2 OT -0.834000 15.9994 0
+ 3457 WT1 2148 TIP3 H1 HT 0.417000 1.0080 0
+ 3458 WT1 2148 TIP3 H2 HT 0.417000 1.0080 0
+ 3459 WT1 2150 TIP3 OH2 OT -0.834000 15.9994 0
+ 3460 WT1 2150 TIP3 H1 HT 0.417000 1.0080 0
+ 3461 WT1 2150 TIP3 H2 HT 0.417000 1.0080 0
+ 3462 WT1 2151 TIP3 OH2 OT -0.834000 15.9994 0
+ 3463 WT1 2151 TIP3 H1 HT 0.417000 1.0080 0
+ 3464 WT1 2151 TIP3 H2 HT 0.417000 1.0080 0
+ 3465 WT1 2152 TIP3 OH2 OT -0.834000 15.9994 0
+ 3466 WT1 2152 TIP3 H1 HT 0.417000 1.0080 0
+ 3467 WT1 2152 TIP3 H2 HT 0.417000 1.0080 0
+ 3468 WT1 2153 TIP3 OH2 OT -0.834000 15.9994 0
+ 3469 WT1 2153 TIP3 H1 HT 0.417000 1.0080 0
+ 3470 WT1 2153 TIP3 H2 HT 0.417000 1.0080 0
+ 3471 WT1 2154 TIP3 OH2 OT -0.834000 15.9994 0
+ 3472 WT1 2154 TIP3 H1 HT 0.417000 1.0080 0
+ 3473 WT1 2154 TIP3 H2 HT 0.417000 1.0080 0
+ 3474 WT1 2155 TIP3 OH2 OT -0.834000 15.9994 0
+ 3475 WT1 2155 TIP3 H1 HT 0.417000 1.0080 0
+ 3476 WT1 2155 TIP3 H2 HT 0.417000 1.0080 0
+ 3477 WT1 2156 TIP3 OH2 OT -0.834000 15.9994 0
+ 3478 WT1 2156 TIP3 H1 HT 0.417000 1.0080 0
+ 3479 WT1 2156 TIP3 H2 HT 0.417000 1.0080 0
+ 3480 WT1 2158 TIP3 OH2 OT -0.834000 15.9994 0
+ 3481 WT1 2158 TIP3 H1 HT 0.417000 1.0080 0
+ 3482 WT1 2158 TIP3 H2 HT 0.417000 1.0080 0
+ 3483 WT1 2163 TIP3 OH2 OT -0.834000 15.9994 0
+ 3484 WT1 2163 TIP3 H1 HT 0.417000 1.0080 0
+ 3485 WT1 2163 TIP3 H2 HT 0.417000 1.0080 0
+ 3486 WT1 2165 TIP3 OH2 OT -0.834000 15.9994 0
+ 3487 WT1 2165 TIP3 H1 HT 0.417000 1.0080 0
+ 3488 WT1 2165 TIP3 H2 HT 0.417000 1.0080 0
+ 3489 WT1 2166 TIP3 OH2 OT -0.834000 15.9994 0
+ 3490 WT1 2166 TIP3 H1 HT 0.417000 1.0080 0
+ 3491 WT1 2166 TIP3 H2 HT 0.417000 1.0080 0
+ 3492 WT1 2167 TIP3 OH2 OT -0.834000 15.9994 0
+ 3493 WT1 2167 TIP3 H1 HT 0.417000 1.0080 0
+ 3494 WT1 2167 TIP3 H2 HT 0.417000 1.0080 0
+ 3495 WT1 2168 TIP3 OH2 OT -0.834000 15.9994 0
+ 3496 WT1 2168 TIP3 H1 HT 0.417000 1.0080 0
+ 3497 WT1 2168 TIP3 H2 HT 0.417000 1.0080 0
+ 3498 WT1 2169 TIP3 OH2 OT -0.834000 15.9994 0
+ 3499 WT1 2169 TIP3 H1 HT 0.417000 1.0080 0
+ 3500 WT1 2169 TIP3 H2 HT 0.417000 1.0080 0
+ 3501 WT1 2170 TIP3 OH2 OT -0.834000 15.9994 0
+ 3502 WT1 2170 TIP3 H1 HT 0.417000 1.0080 0
+ 3503 WT1 2170 TIP3 H2 HT 0.417000 1.0080 0
+ 3504 WT1 2171 TIP3 OH2 OT -0.834000 15.9994 0
+ 3505 WT1 2171 TIP3 H1 HT 0.417000 1.0080 0
+ 3506 WT1 2171 TIP3 H2 HT 0.417000 1.0080 0
+ 3507 WT1 2172 TIP3 OH2 OT -0.834000 15.9994 0
+ 3508 WT1 2172 TIP3 H1 HT 0.417000 1.0080 0
+ 3509 WT1 2172 TIP3 H2 HT 0.417000 1.0080 0
+ 3510 WT1 2173 TIP3 OH2 OT -0.834000 15.9994 0
+ 3511 WT1 2173 TIP3 H1 HT 0.417000 1.0080 0
+ 3512 WT1 2173 TIP3 H2 HT 0.417000 1.0080 0
+ 3513 WT1 2174 TIP3 OH2 OT -0.834000 15.9994 0
+ 3514 WT1 2174 TIP3 H1 HT 0.417000 1.0080 0
+ 3515 WT1 2174 TIP3 H2 HT 0.417000 1.0080 0
+ 3516 WT1 2176 TIP3 OH2 OT -0.834000 15.9994 0
+ 3517 WT1 2176 TIP3 H1 HT 0.417000 1.0080 0
+ 3518 WT1 2176 TIP3 H2 HT 0.417000 1.0080 0
+ 3519 WT1 2177 TIP3 OH2 OT -0.834000 15.9994 0
+ 3520 WT1 2177 TIP3 H1 HT 0.417000 1.0080 0
+ 3521 WT1 2177 TIP3 H2 HT 0.417000 1.0080 0
+ 3522 WT1 2178 TIP3 OH2 OT -0.834000 15.9994 0
+ 3523 WT1 2178 TIP3 H1 HT 0.417000 1.0080 0
+ 3524 WT1 2178 TIP3 H2 HT 0.417000 1.0080 0
+ 3525 WT1 2183 TIP3 OH2 OT -0.834000 15.9994 0
+ 3526 WT1 2183 TIP3 H1 HT 0.417000 1.0080 0
+ 3527 WT1 2183 TIP3 H2 HT 0.417000 1.0080 0
+ 3528 WT1 2185 TIP3 OH2 OT -0.834000 15.9994 0
+ 3529 WT1 2185 TIP3 H1 HT 0.417000 1.0080 0
+ 3530 WT1 2185 TIP3 H2 HT 0.417000 1.0080 0
+ 3531 WT1 2186 TIP3 OH2 OT -0.834000 15.9994 0
+ 3532 WT1 2186 TIP3 H1 HT 0.417000 1.0080 0
+ 3533 WT1 2186 TIP3 H2 HT 0.417000 1.0080 0
+ 3534 WT1 2187 TIP3 OH2 OT -0.834000 15.9994 0
+ 3535 WT1 2187 TIP3 H1 HT 0.417000 1.0080 0
+ 3536 WT1 2187 TIP3 H2 HT 0.417000 1.0080 0
+ 3537 WT1 2188 TIP3 OH2 OT -0.834000 15.9994 0
+ 3538 WT1 2188 TIP3 H1 HT 0.417000 1.0080 0
+ 3539 WT1 2188 TIP3 H2 HT 0.417000 1.0080 0
+ 3540 WT1 2189 TIP3 OH2 OT -0.834000 15.9994 0
+ 3541 WT1 2189 TIP3 H1 HT 0.417000 1.0080 0
+ 3542 WT1 2189 TIP3 H2 HT 0.417000 1.0080 0
+ 3543 WT1 2190 TIP3 OH2 OT -0.834000 15.9994 0
+ 3544 WT1 2190 TIP3 H1 HT 0.417000 1.0080 0
+ 3545 WT1 2190 TIP3 H2 HT 0.417000 1.0080 0
+ 3546 WT1 2193 TIP3 OH2 OT -0.834000 15.9994 0
+ 3547 WT1 2193 TIP3 H1 HT 0.417000 1.0080 0
+ 3548 WT1 2193 TIP3 H2 HT 0.417000 1.0080 0
+ 3549 WT1 2194 TIP3 OH2 OT -0.834000 15.9994 0
+ 3550 WT1 2194 TIP3 H1 HT 0.417000 1.0080 0
+ 3551 WT1 2194 TIP3 H2 HT 0.417000 1.0080 0
+ 3552 WT1 2195 TIP3 OH2 OT -0.834000 15.9994 0
+ 3553 WT1 2195 TIP3 H1 HT 0.417000 1.0080 0
+ 3554 WT1 2195 TIP3 H2 HT 0.417000 1.0080 0
+ 3555 WT1 2197 TIP3 OH2 OT -0.834000 15.9994 0
+ 3556 WT1 2197 TIP3 H1 HT 0.417000 1.0080 0
+ 3557 WT1 2197 TIP3 H2 HT 0.417000 1.0080 0
+ 3558 WT1 2198 TIP3 OH2 OT -0.834000 15.9994 0
+ 3559 WT1 2198 TIP3 H1 HT 0.417000 1.0080 0
+ 3560 WT1 2198 TIP3 H2 HT 0.417000 1.0080 0
+ 3561 WT1 2200 TIP3 OH2 OT -0.834000 15.9994 0
+ 3562 WT1 2200 TIP3 H1 HT 0.417000 1.0080 0
+ 3563 WT1 2200 TIP3 H2 HT 0.417000 1.0080 0
+ 3564 WT1 2204 TIP3 OH2 OT -0.834000 15.9994 0
+ 3565 WT1 2204 TIP3 H1 HT 0.417000 1.0080 0
+ 3566 WT1 2204 TIP3 H2 HT 0.417000 1.0080 0
+ 3567 WT1 2205 TIP3 OH2 OT -0.834000 15.9994 0
+ 3568 WT1 2205 TIP3 H1 HT 0.417000 1.0080 0
+ 3569 WT1 2205 TIP3 H2 HT 0.417000 1.0080 0
+ 3570 WT1 2206 TIP3 OH2 OT -0.834000 15.9994 0
+ 3571 WT1 2206 TIP3 H1 HT 0.417000 1.0080 0
+ 3572 WT1 2206 TIP3 H2 HT 0.417000 1.0080 0
+ 3573 WT1 2207 TIP3 OH2 OT -0.834000 15.9994 0
+ 3574 WT1 2207 TIP3 H1 HT 0.417000 1.0080 0
+ 3575 WT1 2207 TIP3 H2 HT 0.417000 1.0080 0
+ 3576 WT1 2208 TIP3 OH2 OT -0.834000 15.9994 0
+ 3577 WT1 2208 TIP3 H1 HT 0.417000 1.0080 0
+ 3578 WT1 2208 TIP3 H2 HT 0.417000 1.0080 0
+ 3579 WT1 2209 TIP3 OH2 OT -0.834000 15.9994 0
+ 3580 WT1 2209 TIP3 H1 HT 0.417000 1.0080 0
+ 3581 WT1 2209 TIP3 H2 HT 0.417000 1.0080 0
+ 3582 WT1 2210 TIP3 OH2 OT -0.834000 15.9994 0
+ 3583 WT1 2210 TIP3 H1 HT 0.417000 1.0080 0
+ 3584 WT1 2210 TIP3 H2 HT 0.417000 1.0080 0
+ 3585 WT1 2211 TIP3 OH2 OT -0.834000 15.9994 0
+ 3586 WT1 2211 TIP3 H1 HT 0.417000 1.0080 0
+ 3587 WT1 2211 TIP3 H2 HT 0.417000 1.0080 0
+ 3588 WT1 2212 TIP3 OH2 OT -0.834000 15.9994 0
+ 3589 WT1 2212 TIP3 H1 HT 0.417000 1.0080 0
+ 3590 WT1 2212 TIP3 H2 HT 0.417000 1.0080 0
+ 3591 WT1 2213 TIP3 OH2 OT -0.834000 15.9994 0
+ 3592 WT1 2213 TIP3 H1 HT 0.417000 1.0080 0
+ 3593 WT1 2213 TIP3 H2 HT 0.417000 1.0080 0
+ 3594 WT1 2214 TIP3 OH2 OT -0.834000 15.9994 0
+ 3595 WT1 2214 TIP3 H1 HT 0.417000 1.0080 0
+ 3596 WT1 2214 TIP3 H2 HT 0.417000 1.0080 0
+ 3597 WT1 2215 TIP3 OH2 OT -0.834000 15.9994 0
+ 3598 WT1 2215 TIP3 H1 HT 0.417000 1.0080 0
+ 3599 WT1 2215 TIP3 H2 HT 0.417000 1.0080 0
+ 3600 WT1 2216 TIP3 OH2 OT -0.834000 15.9994 0
+ 3601 WT1 2216 TIP3 H1 HT 0.417000 1.0080 0
+ 3602 WT1 2216 TIP3 H2 HT 0.417000 1.0080 0
+ 3603 WT1 2217 TIP3 OH2 OT -0.834000 15.9994 0
+ 3604 WT1 2217 TIP3 H1 HT 0.417000 1.0080 0
+ 3605 WT1 2217 TIP3 H2 HT 0.417000 1.0080 0
+ 3606 WT1 2219 TIP3 OH2 OT -0.834000 15.9994 0
+ 3607 WT1 2219 TIP3 H1 HT 0.417000 1.0080 0
+ 3608 WT1 2219 TIP3 H2 HT 0.417000 1.0080 0
+ 3609 WT1 2220 TIP3 OH2 OT -0.834000 15.9994 0
+ 3610 WT1 2220 TIP3 H1 HT 0.417000 1.0080 0
+ 3611 WT1 2220 TIP3 H2 HT 0.417000 1.0080 0
+ 3612 WT1 2227 TIP3 OH2 OT -0.834000 15.9994 0
+ 3613 WT1 2227 TIP3 H1 HT 0.417000 1.0080 0
+ 3614 WT1 2227 TIP3 H2 HT 0.417000 1.0080 0
+ 3615 WT1 2228 TIP3 OH2 OT -0.834000 15.9994 0
+ 3616 WT1 2228 TIP3 H1 HT 0.417000 1.0080 0
+ 3617 WT1 2228 TIP3 H2 HT 0.417000 1.0080 0
+ 3618 WT1 2229 TIP3 OH2 OT -0.834000 15.9994 0
+ 3619 WT1 2229 TIP3 H1 HT 0.417000 1.0080 0
+ 3620 WT1 2229 TIP3 H2 HT 0.417000 1.0080 0
+ 3621 WT1 2231 TIP3 OH2 OT -0.834000 15.9994 0
+ 3622 WT1 2231 TIP3 H1 HT 0.417000 1.0080 0
+ 3623 WT1 2231 TIP3 H2 HT 0.417000 1.0080 0
+ 3624 WT1 2232 TIP3 OH2 OT -0.834000 15.9994 0
+ 3625 WT1 2232 TIP3 H1 HT 0.417000 1.0080 0
+ 3626 WT1 2232 TIP3 H2 HT 0.417000 1.0080 0
+ 3627 WT1 2234 TIP3 OH2 OT -0.834000 15.9994 0
+ 3628 WT1 2234 TIP3 H1 HT 0.417000 1.0080 0
+ 3629 WT1 2234 TIP3 H2 HT 0.417000 1.0080 0
+ 3630 WT1 2235 TIP3 OH2 OT -0.834000 15.9994 0
+ 3631 WT1 2235 TIP3 H1 HT 0.417000 1.0080 0
+ 3632 WT1 2235 TIP3 H2 HT 0.417000 1.0080 0
+ 3633 WT1 2236 TIP3 OH2 OT -0.834000 15.9994 0
+ 3634 WT1 2236 TIP3 H1 HT 0.417000 1.0080 0
+ 3635 WT1 2236 TIP3 H2 HT 0.417000 1.0080 0
+ 3636 WT1 2237 TIP3 OH2 OT -0.834000 15.9994 0
+ 3637 WT1 2237 TIP3 H1 HT 0.417000 1.0080 0
+ 3638 WT1 2237 TIP3 H2 HT 0.417000 1.0080 0
+ 3639 WT1 2238 TIP3 OH2 OT -0.834000 15.9994 0
+ 3640 WT1 2238 TIP3 H1 HT 0.417000 1.0080 0
+ 3641 WT1 2238 TIP3 H2 HT 0.417000 1.0080 0
+ 3642 WT1 2239 TIP3 OH2 OT -0.834000 15.9994 0
+ 3643 WT1 2239 TIP3 H1 HT 0.417000 1.0080 0
+ 3644 WT1 2239 TIP3 H2 HT 0.417000 1.0080 0
+ 3645 WT1 2240 TIP3 OH2 OT -0.834000 15.9994 0
+ 3646 WT1 2240 TIP3 H1 HT 0.417000 1.0080 0
+ 3647 WT1 2240 TIP3 H2 HT 0.417000 1.0080 0
+ 3648 WT1 2241 TIP3 OH2 OT -0.834000 15.9994 0
+ 3649 WT1 2241 TIP3 H1 HT 0.417000 1.0080 0
+ 3650 WT1 2241 TIP3 H2 HT 0.417000 1.0080 0
+ 3651 WT1 2244 TIP3 OH2 OT -0.834000 15.9994 0
+ 3652 WT1 2244 TIP3 H1 HT 0.417000 1.0080 0
+ 3653 WT1 2244 TIP3 H2 HT 0.417000 1.0080 0
+ 3654 WT1 2250 TIP3 OH2 OT -0.834000 15.9994 0
+ 3655 WT1 2250 TIP3 H1 HT 0.417000 1.0080 0
+ 3656 WT1 2250 TIP3 H2 HT 0.417000 1.0080 0
+ 3657 WT1 2251 TIP3 OH2 OT -0.834000 15.9994 0
+ 3658 WT1 2251 TIP3 H1 HT 0.417000 1.0080 0
+ 3659 WT1 2251 TIP3 H2 HT 0.417000 1.0080 0
+ 3660 WT1 2252 TIP3 OH2 OT -0.834000 15.9994 0
+ 3661 WT1 2252 TIP3 H1 HT 0.417000 1.0080 0
+ 3662 WT1 2252 TIP3 H2 HT 0.417000 1.0080 0
+ 3663 WT1 2253 TIP3 OH2 OT -0.834000 15.9994 0
+ 3664 WT1 2253 TIP3 H1 HT 0.417000 1.0080 0
+ 3665 WT1 2253 TIP3 H2 HT 0.417000 1.0080 0
+ 3666 WT1 2254 TIP3 OH2 OT -0.834000 15.9994 0
+ 3667 WT1 2254 TIP3 H1 HT 0.417000 1.0080 0
+ 3668 WT1 2254 TIP3 H2 HT 0.417000 1.0080 0
+ 3669 WT1 2256 TIP3 OH2 OT -0.834000 15.9994 0
+ 3670 WT1 2256 TIP3 H1 HT 0.417000 1.0080 0
+ 3671 WT1 2256 TIP3 H2 HT 0.417000 1.0080 0
+ 3672 WT1 2257 TIP3 OH2 OT -0.834000 15.9994 0
+ 3673 WT1 2257 TIP3 H1 HT 0.417000 1.0080 0
+ 3674 WT1 2257 TIP3 H2 HT 0.417000 1.0080 0
+ 3675 WT1 2258 TIP3 OH2 OT -0.834000 15.9994 0
+ 3676 WT1 2258 TIP3 H1 HT 0.417000 1.0080 0
+ 3677 WT1 2258 TIP3 H2 HT 0.417000 1.0080 0
+ 3678 WT1 2259 TIP3 OH2 OT -0.834000 15.9994 0
+ 3679 WT1 2259 TIP3 H1 HT 0.417000 1.0080 0
+ 3680 WT1 2259 TIP3 H2 HT 0.417000 1.0080 0
+ 3681 WT1 2260 TIP3 OH2 OT -0.834000 15.9994 0
+ 3682 WT1 2260 TIP3 H1 HT 0.417000 1.0080 0
+ 3683 WT1 2260 TIP3 H2 HT 0.417000 1.0080 0
+ 3684 WT1 2261 TIP3 OH2 OT -0.834000 15.9994 0
+ 3685 WT1 2261 TIP3 H1 HT 0.417000 1.0080 0
+ 3686 WT1 2261 TIP3 H2 HT 0.417000 1.0080 0
+ 3687 WT1 2269 TIP3 OH2 OT -0.834000 15.9994 0
+ 3688 WT1 2269 TIP3 H1 HT 0.417000 1.0080 0
+ 3689 WT1 2269 TIP3 H2 HT 0.417000 1.0080 0
+ 3690 WT1 2270 TIP3 OH2 OT -0.834000 15.9994 0
+ 3691 WT1 2270 TIP3 H1 HT 0.417000 1.0080 0
+ 3692 WT1 2270 TIP3 H2 HT 0.417000 1.0080 0
+ 3693 WT1 2271 TIP3 OH2 OT -0.834000 15.9994 0
+ 3694 WT1 2271 TIP3 H1 HT 0.417000 1.0080 0
+ 3695 WT1 2271 TIP3 H2 HT 0.417000 1.0080 0
+ 3696 WT1 2272 TIP3 OH2 OT -0.834000 15.9994 0
+ 3697 WT1 2272 TIP3 H1 HT 0.417000 1.0080 0
+ 3698 WT1 2272 TIP3 H2 HT 0.417000 1.0080 0
+ 3699 WT1 2273 TIP3 OH2 OT -0.834000 15.9994 0
+ 3700 WT1 2273 TIP3 H1 HT 0.417000 1.0080 0
+ 3701 WT1 2273 TIP3 H2 HT 0.417000 1.0080 0
+ 3702 WT1 2274 TIP3 OH2 OT -0.834000 15.9994 0
+ 3703 WT1 2274 TIP3 H1 HT 0.417000 1.0080 0
+ 3704 WT1 2274 TIP3 H2 HT 0.417000 1.0080 0
+ 3705 WT1 2275 TIP3 OH2 OT -0.834000 15.9994 0
+ 3706 WT1 2275 TIP3 H1 HT 0.417000 1.0080 0
+ 3707 WT1 2275 TIP3 H2 HT 0.417000 1.0080 0
+ 3708 WT1 2277 TIP3 OH2 OT -0.834000 15.9994 0
+ 3709 WT1 2277 TIP3 H1 HT 0.417000 1.0080 0
+ 3710 WT1 2277 TIP3 H2 HT 0.417000 1.0080 0
+ 3711 WT1 2278 TIP3 OH2 OT -0.834000 15.9994 0
+ 3712 WT1 2278 TIP3 H1 HT 0.417000 1.0080 0
+ 3713 WT1 2278 TIP3 H2 HT 0.417000 1.0080 0
+ 3714 WT1 2280 TIP3 OH2 OT -0.834000 15.9994 0
+ 3715 WT1 2280 TIP3 H1 HT 0.417000 1.0080 0
+ 3716 WT1 2280 TIP3 H2 HT 0.417000 1.0080 0
+ 3717 WT1 2281 TIP3 OH2 OT -0.834000 15.9994 0
+ 3718 WT1 2281 TIP3 H1 HT 0.417000 1.0080 0
+ 3719 WT1 2281 TIP3 H2 HT 0.417000 1.0080 0
+ 3720 WT1 2282 TIP3 OH2 OT -0.834000 15.9994 0
+ 3721 WT1 2282 TIP3 H1 HT 0.417000 1.0080 0
+ 3722 WT1 2282 TIP3 H2 HT 0.417000 1.0080 0
+ 3723 WT1 2283 TIP3 OH2 OT -0.834000 15.9994 0
+ 3724 WT1 2283 TIP3 H1 HT 0.417000 1.0080 0
+ 3725 WT1 2283 TIP3 H2 HT 0.417000 1.0080 0
+ 3726 WT1 2284 TIP3 OH2 OT -0.834000 15.9994 0
+ 3727 WT1 2284 TIP3 H1 HT 0.417000 1.0080 0
+ 3728 WT1 2284 TIP3 H2 HT 0.417000 1.0080 0
+ 3729 WT1 2285 TIP3 OH2 OT -0.834000 15.9994 0
+ 3730 WT1 2285 TIP3 H1 HT 0.417000 1.0080 0
+ 3731 WT1 2285 TIP3 H2 HT 0.417000 1.0080 0
+ 3732 WT1 2286 TIP3 OH2 OT -0.834000 15.9994 0
+ 3733 WT1 2286 TIP3 H1 HT 0.417000 1.0080 0
+ 3734 WT1 2286 TIP3 H2 HT 0.417000 1.0080 0
+ 3735 WT1 2288 TIP3 OH2 OT -0.834000 15.9994 0
+ 3736 WT1 2288 TIP3 H1 HT 0.417000 1.0080 0
+ 3737 WT1 2288 TIP3 H2 HT 0.417000 1.0080 0
+ 3738 WT1 2290 TIP3 OH2 OT -0.834000 15.9994 0
+ 3739 WT1 2290 TIP3 H1 HT 0.417000 1.0080 0
+ 3740 WT1 2290 TIP3 H2 HT 0.417000 1.0080 0
+ 3741 WT1 2292 TIP3 OH2 OT -0.834000 15.9994 0
+ 3742 WT1 2292 TIP3 H1 HT 0.417000 1.0080 0
+ 3743 WT1 2292 TIP3 H2 HT 0.417000 1.0080 0
+ 3744 WT1 2293 TIP3 OH2 OT -0.834000 15.9994 0
+ 3745 WT1 2293 TIP3 H1 HT 0.417000 1.0080 0
+ 3746 WT1 2293 TIP3 H2 HT 0.417000 1.0080 0
+ 3747 WT1 2294 TIP3 OH2 OT -0.834000 15.9994 0
+ 3748 WT1 2294 TIP3 H1 HT 0.417000 1.0080 0
+ 3749 WT1 2294 TIP3 H2 HT 0.417000 1.0080 0
+ 3750 WT1 2295 TIP3 OH2 OT -0.834000 15.9994 0
+ 3751 WT1 2295 TIP3 H1 HT 0.417000 1.0080 0
+ 3752 WT1 2295 TIP3 H2 HT 0.417000 1.0080 0
+ 3753 WT1 2296 TIP3 OH2 OT -0.834000 15.9994 0
+ 3754 WT1 2296 TIP3 H1 HT 0.417000 1.0080 0
+ 3755 WT1 2296 TIP3 H2 HT 0.417000 1.0080 0
+ 3756 WT1 2298 TIP3 OH2 OT -0.834000 15.9994 0
+ 3757 WT1 2298 TIP3 H1 HT 0.417000 1.0080 0
+ 3758 WT1 2298 TIP3 H2 HT 0.417000 1.0080 0
+ 3759 WT1 2299 TIP3 OH2 OT -0.834000 15.9994 0
+ 3760 WT1 2299 TIP3 H1 HT 0.417000 1.0080 0
+ 3761 WT1 2299 TIP3 H2 HT 0.417000 1.0080 0
+ 3762 WT1 2300 TIP3 OH2 OT -0.834000 15.9994 0
+ 3763 WT1 2300 TIP3 H1 HT 0.417000 1.0080 0
+ 3764 WT1 2300 TIP3 H2 HT 0.417000 1.0080 0
+ 3765 WT1 2301 TIP3 OH2 OT -0.834000 15.9994 0
+ 3766 WT1 2301 TIP3 H1 HT 0.417000 1.0080 0
+ 3767 WT1 2301 TIP3 H2 HT 0.417000 1.0080 0
+ 3768 WT1 2302 TIP3 OH2 OT -0.834000 15.9994 0
+ 3769 WT1 2302 TIP3 H1 HT 0.417000 1.0080 0
+ 3770 WT1 2302 TIP3 H2 HT 0.417000 1.0080 0
+ 3771 WT1 2305 TIP3 OH2 OT -0.834000 15.9994 0
+ 3772 WT1 2305 TIP3 H1 HT 0.417000 1.0080 0
+ 3773 WT1 2305 TIP3 H2 HT 0.417000 1.0080 0
+ 3774 WT1 2309 TIP3 OH2 OT -0.834000 15.9994 0
+ 3775 WT1 2309 TIP3 H1 HT 0.417000 1.0080 0
+ 3776 WT1 2309 TIP3 H2 HT 0.417000 1.0080 0
+ 3777 WT1 2311 TIP3 OH2 OT -0.834000 15.9994 0
+ 3778 WT1 2311 TIP3 H1 HT 0.417000 1.0080 0
+ 3779 WT1 2311 TIP3 H2 HT 0.417000 1.0080 0
+ 3780 WT1 2313 TIP3 OH2 OT -0.834000 15.9994 0
+ 3781 WT1 2313 TIP3 H1 HT 0.417000 1.0080 0
+ 3782 WT1 2313 TIP3 H2 HT 0.417000 1.0080 0
+ 3783 WT1 2316 TIP3 OH2 OT -0.834000 15.9994 0
+ 3784 WT1 2316 TIP3 H1 HT 0.417000 1.0080 0
+ 3785 WT1 2316 TIP3 H2 HT 0.417000 1.0080 0
+ 3786 WT1 2317 TIP3 OH2 OT -0.834000 15.9994 0
+ 3787 WT1 2317 TIP3 H1 HT 0.417000 1.0080 0
+ 3788 WT1 2317 TIP3 H2 HT 0.417000 1.0080 0
+ 3789 WT1 2318 TIP3 OH2 OT -0.834000 15.9994 0
+ 3790 WT1 2318 TIP3 H1 HT 0.417000 1.0080 0
+ 3791 WT1 2318 TIP3 H2 HT 0.417000 1.0080 0
+ 3792 WT1 2321 TIP3 OH2 OT -0.834000 15.9994 0
+ 3793 WT1 2321 TIP3 H1 HT 0.417000 1.0080 0
+ 3794 WT1 2321 TIP3 H2 HT 0.417000 1.0080 0
+ 3795 WT1 2322 TIP3 OH2 OT -0.834000 15.9994 0
+ 3796 WT1 2322 TIP3 H1 HT 0.417000 1.0080 0
+ 3797 WT1 2322 TIP3 H2 HT 0.417000 1.0080 0
+ 3798 WT1 2324 TIP3 OH2 OT -0.834000 15.9994 0
+ 3799 WT1 2324 TIP3 H1 HT 0.417000 1.0080 0
+ 3800 WT1 2324 TIP3 H2 HT 0.417000 1.0080 0
+ 3801 WT1 2325 TIP3 OH2 OT -0.834000 15.9994 0
+ 3802 WT1 2325 TIP3 H1 HT 0.417000 1.0080 0
+ 3803 WT1 2325 TIP3 H2 HT 0.417000 1.0080 0
+ 3804 WT1 2326 TIP3 OH2 OT -0.834000 15.9994 0
+ 3805 WT1 2326 TIP3 H1 HT 0.417000 1.0080 0
+ 3806 WT1 2326 TIP3 H2 HT 0.417000 1.0080 0
+ 3807 WT1 2327 TIP3 OH2 OT -0.834000 15.9994 0
+ 3808 WT1 2327 TIP3 H1 HT 0.417000 1.0080 0
+ 3809 WT1 2327 TIP3 H2 HT 0.417000 1.0080 0
+ 3810 WT1 2328 TIP3 OH2 OT -0.834000 15.9994 0
+ 3811 WT1 2328 TIP3 H1 HT 0.417000 1.0080 0
+ 3812 WT1 2328 TIP3 H2 HT 0.417000 1.0080 0
+ 3813 WT1 2329 TIP3 OH2 OT -0.834000 15.9994 0
+ 3814 WT1 2329 TIP3 H1 HT 0.417000 1.0080 0
+ 3815 WT1 2329 TIP3 H2 HT 0.417000 1.0080 0
+ 3816 WT1 2331 TIP3 OH2 OT -0.834000 15.9994 0
+ 3817 WT1 2331 TIP3 H1 HT 0.417000 1.0080 0
+ 3818 WT1 2331 TIP3 H2 HT 0.417000 1.0080 0
+ 3819 WT1 2332 TIP3 OH2 OT -0.834000 15.9994 0
+ 3820 WT1 2332 TIP3 H1 HT 0.417000 1.0080 0
+ 3821 WT1 2332 TIP3 H2 HT 0.417000 1.0080 0
+ 3822 WT1 2333 TIP3 OH2 OT -0.834000 15.9994 0
+ 3823 WT1 2333 TIP3 H1 HT 0.417000 1.0080 0
+ 3824 WT1 2333 TIP3 H2 HT 0.417000 1.0080 0
+ 3825 WT1 2335 TIP3 OH2 OT -0.834000 15.9994 0
+ 3826 WT1 2335 TIP3 H1 HT 0.417000 1.0080 0
+ 3827 WT1 2335 TIP3 H2 HT 0.417000 1.0080 0
+ 3828 WT1 2336 TIP3 OH2 OT -0.834000 15.9994 0
+ 3829 WT1 2336 TIP3 H1 HT 0.417000 1.0080 0
+ 3830 WT1 2336 TIP3 H2 HT 0.417000 1.0080 0
+ 3831 WT1 2337 TIP3 OH2 OT -0.834000 15.9994 0
+ 3832 WT1 2337 TIP3 H1 HT 0.417000 1.0080 0
+ 3833 WT1 2337 TIP3 H2 HT 0.417000 1.0080 0
+ 3834 WT1 2338 TIP3 OH2 OT -0.834000 15.9994 0
+ 3835 WT1 2338 TIP3 H1 HT 0.417000 1.0080 0
+ 3836 WT1 2338 TIP3 H2 HT 0.417000 1.0080 0
+ 3837 WT1 2339 TIP3 OH2 OT -0.834000 15.9994 0
+ 3838 WT1 2339 TIP3 H1 HT 0.417000 1.0080 0
+ 3839 WT1 2339 TIP3 H2 HT 0.417000 1.0080 0
+ 3840 WT1 2340 TIP3 OH2 OT -0.834000 15.9994 0
+ 3841 WT1 2340 TIP3 H1 HT 0.417000 1.0080 0
+ 3842 WT1 2340 TIP3 H2 HT 0.417000 1.0080 0
+ 3843 WT1 2341 TIP3 OH2 OT -0.834000 15.9994 0
+ 3844 WT1 2341 TIP3 H1 HT 0.417000 1.0080 0
+ 3845 WT1 2341 TIP3 H2 HT 0.417000 1.0080 0
+ 3846 WT1 2342 TIP3 OH2 OT -0.834000 15.9994 0
+ 3847 WT1 2342 TIP3 H1 HT 0.417000 1.0080 0
+ 3848 WT1 2342 TIP3 H2 HT 0.417000 1.0080 0
+ 3849 WT1 2343 TIP3 OH2 OT -0.834000 15.9994 0
+ 3850 WT1 2343 TIP3 H1 HT 0.417000 1.0080 0
+ 3851 WT1 2343 TIP3 H2 HT 0.417000 1.0080 0
+ 3852 WT1 2344 TIP3 OH2 OT -0.834000 15.9994 0
+ 3853 WT1 2344 TIP3 H1 HT 0.417000 1.0080 0
+ 3854 WT1 2344 TIP3 H2 HT 0.417000 1.0080 0
+ 3855 WT1 2345 TIP3 OH2 OT -0.834000 15.9994 0
+ 3856 WT1 2345 TIP3 H1 HT 0.417000 1.0080 0
+ 3857 WT1 2345 TIP3 H2 HT 0.417000 1.0080 0
+ 3858 WT1 2346 TIP3 OH2 OT -0.834000 15.9994 0
+ 3859 WT1 2346 TIP3 H1 HT 0.417000 1.0080 0
+ 3860 WT1 2346 TIP3 H2 HT 0.417000 1.0080 0
+ 3861 WT1 2351 TIP3 OH2 OT -0.834000 15.9994 0
+ 3862 WT1 2351 TIP3 H1 HT 0.417000 1.0080 0
+ 3863 WT1 2351 TIP3 H2 HT 0.417000 1.0080 0
+ 3864 WT1 2352 TIP3 OH2 OT -0.834000 15.9994 0
+ 3865 WT1 2352 TIP3 H1 HT 0.417000 1.0080 0
+ 3866 WT1 2352 TIP3 H2 HT 0.417000 1.0080 0
+ 3867 WT1 2354 TIP3 OH2 OT -0.834000 15.9994 0
+ 3868 WT1 2354 TIP3 H1 HT 0.417000 1.0080 0
+ 3869 WT1 2354 TIP3 H2 HT 0.417000 1.0080 0
+ 3870 WT1 2355 TIP3 OH2 OT -0.834000 15.9994 0
+ 3871 WT1 2355 TIP3 H1 HT 0.417000 1.0080 0
+ 3872 WT1 2355 TIP3 H2 HT 0.417000 1.0080 0
+ 3873 WT1 2357 TIP3 OH2 OT -0.834000 15.9994 0
+ 3874 WT1 2357 TIP3 H1 HT 0.417000 1.0080 0
+ 3875 WT1 2357 TIP3 H2 HT 0.417000 1.0080 0
+ 3876 WT1 2358 TIP3 OH2 OT -0.834000 15.9994 0
+ 3877 WT1 2358 TIP3 H1 HT 0.417000 1.0080 0
+ 3878 WT1 2358 TIP3 H2 HT 0.417000 1.0080 0
+ 3879 WT1 2359 TIP3 OH2 OT -0.834000 15.9994 0
+ 3880 WT1 2359 TIP3 H1 HT 0.417000 1.0080 0
+ 3881 WT1 2359 TIP3 H2 HT 0.417000 1.0080 0
+ 3882 WT1 2360 TIP3 OH2 OT -0.834000 15.9994 0
+ 3883 WT1 2360 TIP3 H1 HT 0.417000 1.0080 0
+ 3884 WT1 2360 TIP3 H2 HT 0.417000 1.0080 0
+ 3885 WT1 2361 TIP3 OH2 OT -0.834000 15.9994 0
+ 3886 WT1 2361 TIP3 H1 HT 0.417000 1.0080 0
+ 3887 WT1 2361 TIP3 H2 HT 0.417000 1.0080 0
+ 3888 WT1 2362 TIP3 OH2 OT -0.834000 15.9994 0
+ 3889 WT1 2362 TIP3 H1 HT 0.417000 1.0080 0
+ 3890 WT1 2362 TIP3 H2 HT 0.417000 1.0080 0
+ 3891 WT1 2363 TIP3 OH2 OT -0.834000 15.9994 0
+ 3892 WT1 2363 TIP3 H1 HT 0.417000 1.0080 0
+ 3893 WT1 2363 TIP3 H2 HT 0.417000 1.0080 0
+ 3894 WT1 2364 TIP3 OH2 OT -0.834000 15.9994 0
+ 3895 WT1 2364 TIP3 H1 HT 0.417000 1.0080 0
+ 3896 WT1 2364 TIP3 H2 HT 0.417000 1.0080 0
+ 3897 WT1 2365 TIP3 OH2 OT -0.834000 15.9994 0
+ 3898 WT1 2365 TIP3 H1 HT 0.417000 1.0080 0
+ 3899 WT1 2365 TIP3 H2 HT 0.417000 1.0080 0
+ 3900 WT1 2367 TIP3 OH2 OT -0.834000 15.9994 0
+ 3901 WT1 2367 TIP3 H1 HT 0.417000 1.0080 0
+ 3902 WT1 2367 TIP3 H2 HT 0.417000 1.0080 0
+ 3903 WT1 2368 TIP3 OH2 OT -0.834000 15.9994 0
+ 3904 WT1 2368 TIP3 H1 HT 0.417000 1.0080 0
+ 3905 WT1 2368 TIP3 H2 HT 0.417000 1.0080 0
+ 3906 WT1 2376 TIP3 OH2 OT -0.834000 15.9994 0
+ 3907 WT1 2376 TIP3 H1 HT 0.417000 1.0080 0
+ 3908 WT1 2376 TIP3 H2 HT 0.417000 1.0080 0
+ 3909 WT1 2377 TIP3 OH2 OT -0.834000 15.9994 0
+ 3910 WT1 2377 TIP3 H1 HT 0.417000 1.0080 0
+ 3911 WT1 2377 TIP3 H2 HT 0.417000 1.0080 0
+ 3912 WT1 2380 TIP3 OH2 OT -0.834000 15.9994 0
+ 3913 WT1 2380 TIP3 H1 HT 0.417000 1.0080 0
+ 3914 WT1 2380 TIP3 H2 HT 0.417000 1.0080 0
+ 3915 WT1 2381 TIP3 OH2 OT -0.834000 15.9994 0
+ 3916 WT1 2381 TIP3 H1 HT 0.417000 1.0080 0
+ 3917 WT1 2381 TIP3 H2 HT 0.417000 1.0080 0
+ 3918 WT1 2383 TIP3 OH2 OT -0.834000 15.9994 0
+ 3919 WT1 2383 TIP3 H1 HT 0.417000 1.0080 0
+ 3920 WT1 2383 TIP3 H2 HT 0.417000 1.0080 0
+ 3921 WT1 2384 TIP3 OH2 OT -0.834000 15.9994 0
+ 3922 WT1 2384 TIP3 H1 HT 0.417000 1.0080 0
+ 3923 WT1 2384 TIP3 H2 HT 0.417000 1.0080 0
+ 3924 WT1 2385 TIP3 OH2 OT -0.834000 15.9994 0
+ 3925 WT1 2385 TIP3 H1 HT 0.417000 1.0080 0
+ 3926 WT1 2385 TIP3 H2 HT 0.417000 1.0080 0
+ 3927 WT1 2392 TIP3 OH2 OT -0.834000 15.9994 0
+ 3928 WT1 2392 TIP3 H1 HT 0.417000 1.0080 0
+ 3929 WT1 2392 TIP3 H2 HT 0.417000 1.0080 0
+ 3930 WT1 2395 TIP3 OH2 OT -0.834000 15.9994 0
+ 3931 WT1 2395 TIP3 H1 HT 0.417000 1.0080 0
+ 3932 WT1 2395 TIP3 H2 HT 0.417000 1.0080 0
+ 3933 WT1 2397 TIP3 OH2 OT -0.834000 15.9994 0
+ 3934 WT1 2397 TIP3 H1 HT 0.417000 1.0080 0
+ 3935 WT1 2397 TIP3 H2 HT 0.417000 1.0080 0
+ 3936 WT1 2399 TIP3 OH2 OT -0.834000 15.9994 0
+ 3937 WT1 2399 TIP3 H1 HT 0.417000 1.0080 0
+ 3938 WT1 2399 TIP3 H2 HT 0.417000 1.0080 0
+ 3939 WT1 2400 TIP3 OH2 OT -0.834000 15.9994 0
+ 3940 WT1 2400 TIP3 H1 HT 0.417000 1.0080 0
+ 3941 WT1 2400 TIP3 H2 HT 0.417000 1.0080 0
+ 3942 WT1 2402 TIP3 OH2 OT -0.834000 15.9994 0
+ 3943 WT1 2402 TIP3 H1 HT 0.417000 1.0080 0
+ 3944 WT1 2402 TIP3 H2 HT 0.417000 1.0080 0
+ 3945 WT1 2404 TIP3 OH2 OT -0.834000 15.9994 0
+ 3946 WT1 2404 TIP3 H1 HT 0.417000 1.0080 0
+ 3947 WT1 2404 TIP3 H2 HT 0.417000 1.0080 0
+ 3948 WT1 2405 TIP3 OH2 OT -0.834000 15.9994 0
+ 3949 WT1 2405 TIP3 H1 HT 0.417000 1.0080 0
+ 3950 WT1 2405 TIP3 H2 HT 0.417000 1.0080 0
+ 3951 WT1 2406 TIP3 OH2 OT -0.834000 15.9994 0
+ 3952 WT1 2406 TIP3 H1 HT 0.417000 1.0080 0
+ 3953 WT1 2406 TIP3 H2 HT 0.417000 1.0080 0
+ 3954 WT1 2407 TIP3 OH2 OT -0.834000 15.9994 0
+ 3955 WT1 2407 TIP3 H1 HT 0.417000 1.0080 0
+ 3956 WT1 2407 TIP3 H2 HT 0.417000 1.0080 0
+ 3957 WT1 2416 TIP3 OH2 OT -0.834000 15.9994 0
+ 3958 WT1 2416 TIP3 H1 HT 0.417000 1.0080 0
+ 3959 WT1 2416 TIP3 H2 HT 0.417000 1.0080 0
+ 3960 WT1 2417 TIP3 OH2 OT -0.834000 15.9994 0
+ 3961 WT1 2417 TIP3 H1 HT 0.417000 1.0080 0
+ 3962 WT1 2417 TIP3 H2 HT 0.417000 1.0080 0
+ 3963 WT1 2419 TIP3 OH2 OT -0.834000 15.9994 0
+ 3964 WT1 2419 TIP3 H1 HT 0.417000 1.0080 0
+ 3965 WT1 2419 TIP3 H2 HT 0.417000 1.0080 0
+ 3966 WT1 2420 TIP3 OH2 OT -0.834000 15.9994 0
+ 3967 WT1 2420 TIP3 H1 HT 0.417000 1.0080 0
+ 3968 WT1 2420 TIP3 H2 HT 0.417000 1.0080 0
+ 3969 WT1 2421 TIP3 OH2 OT -0.834000 15.9994 0
+ 3970 WT1 2421 TIP3 H1 HT 0.417000 1.0080 0
+ 3971 WT1 2421 TIP3 H2 HT 0.417000 1.0080 0
+ 3972 WT1 2423 TIP3 OH2 OT -0.834000 15.9994 0
+ 3973 WT1 2423 TIP3 H1 HT 0.417000 1.0080 0
+ 3974 WT1 2423 TIP3 H2 HT 0.417000 1.0080 0
+ 3975 WT1 2424 TIP3 OH2 OT -0.834000 15.9994 0
+ 3976 WT1 2424 TIP3 H1 HT 0.417000 1.0080 0
+ 3977 WT1 2424 TIP3 H2 HT 0.417000 1.0080 0
+ 3978 WT1 2425 TIP3 OH2 OT -0.834000 15.9994 0
+ 3979 WT1 2425 TIP3 H1 HT 0.417000 1.0080 0
+ 3980 WT1 2425 TIP3 H2 HT 0.417000 1.0080 0
+ 3981 WT1 2427 TIP3 OH2 OT -0.834000 15.9994 0
+ 3982 WT1 2427 TIP3 H1 HT 0.417000 1.0080 0
+ 3983 WT1 2427 TIP3 H2 HT 0.417000 1.0080 0
+ 3984 WT1 2428 TIP3 OH2 OT -0.834000 15.9994 0
+ 3985 WT1 2428 TIP3 H1 HT 0.417000 1.0080 0
+ 3986 WT1 2428 TIP3 H2 HT 0.417000 1.0080 0
+ 3987 WT1 2430 TIP3 OH2 OT -0.834000 15.9994 0
+ 3988 WT1 2430 TIP3 H1 HT 0.417000 1.0080 0
+ 3989 WT1 2430 TIP3 H2 HT 0.417000 1.0080 0
+ 3990 WT1 2431 TIP3 OH2 OT -0.834000 15.9994 0
+ 3991 WT1 2431 TIP3 H1 HT 0.417000 1.0080 0
+ 3992 WT1 2431 TIP3 H2 HT 0.417000 1.0080 0
+ 3993 WT1 2436 TIP3 OH2 OT -0.834000 15.9994 0
+ 3994 WT1 2436 TIP3 H1 HT 0.417000 1.0080 0
+ 3995 WT1 2436 TIP3 H2 HT 0.417000 1.0080 0
+ 3996 WT1 2440 TIP3 OH2 OT -0.834000 15.9994 0
+ 3997 WT1 2440 TIP3 H1 HT 0.417000 1.0080 0
+ 3998 WT1 2440 TIP3 H2 HT 0.417000 1.0080 0
+ 3999 WT1 2441 TIP3 OH2 OT -0.834000 15.9994 0
+ 4000 WT1 2441 TIP3 H1 HT 0.417000 1.0080 0
+ 4001 WT1 2441 TIP3 H2 HT 0.417000 1.0080 0
+ 4002 WT1 2443 TIP3 OH2 OT -0.834000 15.9994 0
+ 4003 WT1 2443 TIP3 H1 HT 0.417000 1.0080 0
+ 4004 WT1 2443 TIP3 H2 HT 0.417000 1.0080 0
+ 4005 WT1 2446 TIP3 OH2 OT -0.834000 15.9994 0
+ 4006 WT1 2446 TIP3 H1 HT 0.417000 1.0080 0
+ 4007 WT1 2446 TIP3 H2 HT 0.417000 1.0080 0
+ 4008 WT1 2447 TIP3 OH2 OT -0.834000 15.9994 0
+ 4009 WT1 2447 TIP3 H1 HT 0.417000 1.0080 0
+ 4010 WT1 2447 TIP3 H2 HT 0.417000 1.0080 0
+ 4011 WT1 2448 TIP3 OH2 OT -0.834000 15.9994 0
+ 4012 WT1 2448 TIP3 H1 HT 0.417000 1.0080 0
+ 4013 WT1 2448 TIP3 H2 HT 0.417000 1.0080 0
+ 4014 WT1 2449 TIP3 OH2 OT -0.834000 15.9994 0
+ 4015 WT1 2449 TIP3 H1 HT 0.417000 1.0080 0
+ 4016 WT1 2449 TIP3 H2 HT 0.417000 1.0080 0
+ 4017 WT1 2450 TIP3 OH2 OT -0.834000 15.9994 0
+ 4018 WT1 2450 TIP3 H1 HT 0.417000 1.0080 0
+ 4019 WT1 2450 TIP3 H2 HT 0.417000 1.0080 0
+ 4020 WT1 2452 TIP3 OH2 OT -0.834000 15.9994 0
+ 4021 WT1 2452 TIP3 H1 HT 0.417000 1.0080 0
+ 4022 WT1 2452 TIP3 H2 HT 0.417000 1.0080 0
+ 4023 WT1 2453 TIP3 OH2 OT -0.834000 15.9994 0
+ 4024 WT1 2453 TIP3 H1 HT 0.417000 1.0080 0
+ 4025 WT1 2453 TIP3 H2 HT 0.417000 1.0080 0
+ 4026 WT1 2454 TIP3 OH2 OT -0.834000 15.9994 0
+ 4027 WT1 2454 TIP3 H1 HT 0.417000 1.0080 0
+ 4028 WT1 2454 TIP3 H2 HT 0.417000 1.0080 0
+ 4029 WT1 2458 TIP3 OH2 OT -0.834000 15.9994 0
+ 4030 WT1 2458 TIP3 H1 HT 0.417000 1.0080 0
+ 4031 WT1 2458 TIP3 H2 HT 0.417000 1.0080 0
+ 4032 WT1 2459 TIP3 OH2 OT -0.834000 15.9994 0
+ 4033 WT1 2459 TIP3 H1 HT 0.417000 1.0080 0
+ 4034 WT1 2459 TIP3 H2 HT 0.417000 1.0080 0
+ 4035 WT1 2460 TIP3 OH2 OT -0.834000 15.9994 0
+ 4036 WT1 2460 TIP3 H1 HT 0.417000 1.0080 0
+ 4037 WT1 2460 TIP3 H2 HT 0.417000 1.0080 0
+ 4038 WT1 2461 TIP3 OH2 OT -0.834000 15.9994 0
+ 4039 WT1 2461 TIP3 H1 HT 0.417000 1.0080 0
+ 4040 WT1 2461 TIP3 H2 HT 0.417000 1.0080 0
+ 4041 WT1 2462 TIP3 OH2 OT -0.834000 15.9994 0
+ 4042 WT1 2462 TIP3 H1 HT 0.417000 1.0080 0
+ 4043 WT1 2462 TIP3 H2 HT 0.417000 1.0080 0
+ 4044 WT1 2463 TIP3 OH2 OT -0.834000 15.9994 0
+ 4045 WT1 2463 TIP3 H1 HT 0.417000 1.0080 0
+ 4046 WT1 2463 TIP3 H2 HT 0.417000 1.0080 0
+ 4047 WT1 2464 TIP3 OH2 OT -0.834000 15.9994 0
+ 4048 WT1 2464 TIP3 H1 HT 0.417000 1.0080 0
+ 4049 WT1 2464 TIP3 H2 HT 0.417000 1.0080 0
+ 4050 WT1 2466 TIP3 OH2 OT -0.834000 15.9994 0
+ 4051 WT1 2466 TIP3 H1 HT 0.417000 1.0080 0
+ 4052 WT1 2466 TIP3 H2 HT 0.417000 1.0080 0
+ 4053 WT1 2467 TIP3 OH2 OT -0.834000 15.9994 0
+ 4054 WT1 2467 TIP3 H1 HT 0.417000 1.0080 0
+ 4055 WT1 2467 TIP3 H2 HT 0.417000 1.0080 0
+ 4056 WT1 2468 TIP3 OH2 OT -0.834000 15.9994 0
+ 4057 WT1 2468 TIP3 H1 HT 0.417000 1.0080 0
+ 4058 WT1 2468 TIP3 H2 HT 0.417000 1.0080 0
+ 4059 WT1 2471 TIP3 OH2 OT -0.834000 15.9994 0
+ 4060 WT1 2471 TIP3 H1 HT 0.417000 1.0080 0
+ 4061 WT1 2471 TIP3 H2 HT 0.417000 1.0080 0
+ 4062 WT1 2473 TIP3 OH2 OT -0.834000 15.9994 0
+ 4063 WT1 2473 TIP3 H1 HT 0.417000 1.0080 0
+ 4064 WT1 2473 TIP3 H2 HT 0.417000 1.0080 0
+ 4065 WT1 2479 TIP3 OH2 OT -0.834000 15.9994 0
+ 4066 WT1 2479 TIP3 H1 HT 0.417000 1.0080 0
+ 4067 WT1 2479 TIP3 H2 HT 0.417000 1.0080 0
+ 4068 WT1 2480 TIP3 OH2 OT -0.834000 15.9994 0
+ 4069 WT1 2480 TIP3 H1 HT 0.417000 1.0080 0
+ 4070 WT1 2480 TIP3 H2 HT 0.417000 1.0080 0
+ 4071 WT1 2482 TIP3 OH2 OT -0.834000 15.9994 0
+ 4072 WT1 2482 TIP3 H1 HT 0.417000 1.0080 0
+ 4073 WT1 2482 TIP3 H2 HT 0.417000 1.0080 0
+ 4074 WT1 2483 TIP3 OH2 OT -0.834000 15.9994 0
+ 4075 WT1 2483 TIP3 H1 HT 0.417000 1.0080 0
+ 4076 WT1 2483 TIP3 H2 HT 0.417000 1.0080 0
+ 4077 WT1 2484 TIP3 OH2 OT -0.834000 15.9994 0
+ 4078 WT1 2484 TIP3 H1 HT 0.417000 1.0080 0
+ 4079 WT1 2484 TIP3 H2 HT 0.417000 1.0080 0
+ 4080 WT1 2485 TIP3 OH2 OT -0.834000 15.9994 0
+ 4081 WT1 2485 TIP3 H1 HT 0.417000 1.0080 0
+ 4082 WT1 2485 TIP3 H2 HT 0.417000 1.0080 0
+ 4083 WT1 2486 TIP3 OH2 OT -0.834000 15.9994 0
+ 4084 WT1 2486 TIP3 H1 HT 0.417000 1.0080 0
+ 4085 WT1 2486 TIP3 H2 HT 0.417000 1.0080 0
+ 4086 WT1 2487 TIP3 OH2 OT -0.834000 15.9994 0
+ 4087 WT1 2487 TIP3 H1 HT 0.417000 1.0080 0
+ 4088 WT1 2487 TIP3 H2 HT 0.417000 1.0080 0
+ 4089 WT1 2488 TIP3 OH2 OT -0.834000 15.9994 0
+ 4090 WT1 2488 TIP3 H1 HT 0.417000 1.0080 0
+ 4091 WT1 2488 TIP3 H2 HT 0.417000 1.0080 0
+ 4092 WT1 2489 TIP3 OH2 OT -0.834000 15.9994 0
+ 4093 WT1 2489 TIP3 H1 HT 0.417000 1.0080 0
+ 4094 WT1 2489 TIP3 H2 HT 0.417000 1.0080 0
+ 4095 WT1 2491 TIP3 OH2 OT -0.834000 15.9994 0
+ 4096 WT1 2491 TIP3 H1 HT 0.417000 1.0080 0
+ 4097 WT1 2491 TIP3 H2 HT 0.417000 1.0080 0
+ 4098 WT1 2492 TIP3 OH2 OT -0.834000 15.9994 0
+ 4099 WT1 2492 TIP3 H1 HT 0.417000 1.0080 0
+ 4100 WT1 2492 TIP3 H2 HT 0.417000 1.0080 0
+ 4101 WT1 2494 TIP3 OH2 OT -0.834000 15.9994 0
+ 4102 WT1 2494 TIP3 H1 HT 0.417000 1.0080 0
+ 4103 WT1 2494 TIP3 H2 HT 0.417000 1.0080 0
+ 4104 WT1 2499 TIP3 OH2 OT -0.834000 15.9994 0
+ 4105 WT1 2499 TIP3 H1 HT 0.417000 1.0080 0
+ 4106 WT1 2499 TIP3 H2 HT 0.417000 1.0080 0
+ 4107 WT1 2500 TIP3 OH2 OT -0.834000 15.9994 0
+ 4108 WT1 2500 TIP3 H1 HT 0.417000 1.0080 0
+ 4109 WT1 2500 TIP3 H2 HT 0.417000 1.0080 0
+ 4110 WT1 2501 TIP3 OH2 OT -0.834000 15.9994 0
+ 4111 WT1 2501 TIP3 H1 HT 0.417000 1.0080 0
+ 4112 WT1 2501 TIP3 H2 HT 0.417000 1.0080 0
+ 4113 WT1 2503 TIP3 OH2 OT -0.834000 15.9994 0
+ 4114 WT1 2503 TIP3 H1 HT 0.417000 1.0080 0
+ 4115 WT1 2503 TIP3 H2 HT 0.417000 1.0080 0
+ 4116 WT1 2504 TIP3 OH2 OT -0.834000 15.9994 0
+ 4117 WT1 2504 TIP3 H1 HT 0.417000 1.0080 0
+ 4118 WT1 2504 TIP3 H2 HT 0.417000 1.0080 0
+ 4119 WT1 2507 TIP3 OH2 OT -0.834000 15.9994 0
+ 4120 WT1 2507 TIP3 H1 HT 0.417000 1.0080 0
+ 4121 WT1 2507 TIP3 H2 HT 0.417000 1.0080 0
+ 4122 WT1 2508 TIP3 OH2 OT -0.834000 15.9994 0
+ 4123 WT1 2508 TIP3 H1 HT 0.417000 1.0080 0
+ 4124 WT1 2508 TIP3 H2 HT 0.417000 1.0080 0
+ 4125 WT1 2509 TIP3 OH2 OT -0.834000 15.9994 0
+ 4126 WT1 2509 TIP3 H1 HT 0.417000 1.0080 0
+ 4127 WT1 2509 TIP3 H2 HT 0.417000 1.0080 0
+ 4128 WT1 2510 TIP3 OH2 OT -0.834000 15.9994 0
+ 4129 WT1 2510 TIP3 H1 HT 0.417000 1.0080 0
+ 4130 WT1 2510 TIP3 H2 HT 0.417000 1.0080 0
+ 4131 WT1 2511 TIP3 OH2 OT -0.834000 15.9994 0
+ 4132 WT1 2511 TIP3 H1 HT 0.417000 1.0080 0
+ 4133 WT1 2511 TIP3 H2 HT 0.417000 1.0080 0
+ 4134 WT1 2512 TIP3 OH2 OT -0.834000 15.9994 0
+ 4135 WT1 2512 TIP3 H1 HT 0.417000 1.0080 0
+ 4136 WT1 2512 TIP3 H2 HT 0.417000 1.0080 0
+ 4137 WT1 2513 TIP3 OH2 OT -0.834000 15.9994 0
+ 4138 WT1 2513 TIP3 H1 HT 0.417000 1.0080 0
+ 4139 WT1 2513 TIP3 H2 HT 0.417000 1.0080 0
+ 4140 WT1 2514 TIP3 OH2 OT -0.834000 15.9994 0
+ 4141 WT1 2514 TIP3 H1 HT 0.417000 1.0080 0
+ 4142 WT1 2514 TIP3 H2 HT 0.417000 1.0080 0
+ 4143 WT1 2515 TIP3 OH2 OT -0.834000 15.9994 0
+ 4144 WT1 2515 TIP3 H1 HT 0.417000 1.0080 0
+ 4145 WT1 2515 TIP3 H2 HT 0.417000 1.0080 0
+ 4146 WT1 2519 TIP3 OH2 OT -0.834000 15.9994 0
+ 4147 WT1 2519 TIP3 H1 HT 0.417000 1.0080 0
+ 4148 WT1 2519 TIP3 H2 HT 0.417000 1.0080 0
+ 4149 WT1 2521 TIP3 OH2 OT -0.834000 15.9994 0
+ 4150 WT1 2521 TIP3 H1 HT 0.417000 1.0080 0
+ 4151 WT1 2521 TIP3 H2 HT 0.417000 1.0080 0
+ 4152 WT1 2522 TIP3 OH2 OT -0.834000 15.9994 0
+ 4153 WT1 2522 TIP3 H1 HT 0.417000 1.0080 0
+ 4154 WT1 2522 TIP3 H2 HT 0.417000 1.0080 0
+ 4155 WT1 2523 TIP3 OH2 OT -0.834000 15.9994 0
+ 4156 WT1 2523 TIP3 H1 HT 0.417000 1.0080 0
+ 4157 WT1 2523 TIP3 H2 HT 0.417000 1.0080 0
+ 4158 WT1 2525 TIP3 OH2 OT -0.834000 15.9994 0
+ 4159 WT1 2525 TIP3 H1 HT 0.417000 1.0080 0
+ 4160 WT1 2525 TIP3 H2 HT 0.417000 1.0080 0
+ 4161 WT1 2526 TIP3 OH2 OT -0.834000 15.9994 0
+ 4162 WT1 2526 TIP3 H1 HT 0.417000 1.0080 0
+ 4163 WT1 2526 TIP3 H2 HT 0.417000 1.0080 0
+ 4164 WT1 2527 TIP3 OH2 OT -0.834000 15.9994 0
+ 4165 WT1 2527 TIP3 H1 HT 0.417000 1.0080 0
+ 4166 WT1 2527 TIP3 H2 HT 0.417000 1.0080 0
+ 4167 WT1 2528 TIP3 OH2 OT -0.834000 15.9994 0
+ 4168 WT1 2528 TIP3 H1 HT 0.417000 1.0080 0
+ 4169 WT1 2528 TIP3 H2 HT 0.417000 1.0080 0
+ 4170 WT1 2529 TIP3 OH2 OT -0.834000 15.9994 0
+ 4171 WT1 2529 TIP3 H1 HT 0.417000 1.0080 0
+ 4172 WT1 2529 TIP3 H2 HT 0.417000 1.0080 0
+ 4173 WT1 2531 TIP3 OH2 OT -0.834000 15.9994 0
+ 4174 WT1 2531 TIP3 H1 HT 0.417000 1.0080 0
+ 4175 WT1 2531 TIP3 H2 HT 0.417000 1.0080 0
+ 4176 WT1 2532 TIP3 OH2 OT -0.834000 15.9994 0
+ 4177 WT1 2532 TIP3 H1 HT 0.417000 1.0080 0
+ 4178 WT1 2532 TIP3 H2 HT 0.417000 1.0080 0
+ 4179 WT1 2533 TIP3 OH2 OT -0.834000 15.9994 0
+ 4180 WT1 2533 TIP3 H1 HT 0.417000 1.0080 0
+ 4181 WT1 2533 TIP3 H2 HT 0.417000 1.0080 0
+ 4182 WT1 2539 TIP3 OH2 OT -0.834000 15.9994 0
+ 4183 WT1 2539 TIP3 H1 HT 0.417000 1.0080 0
+ 4184 WT1 2539 TIP3 H2 HT 0.417000 1.0080 0
+ 4185 WT1 2540 TIP3 OH2 OT -0.834000 15.9994 0
+ 4186 WT1 2540 TIP3 H1 HT 0.417000 1.0080 0
+ 4187 WT1 2540 TIP3 H2 HT 0.417000 1.0080 0
+ 4188 WT1 2541 TIP3 OH2 OT -0.834000 15.9994 0
+ 4189 WT1 2541 TIP3 H1 HT 0.417000 1.0080 0
+ 4190 WT1 2541 TIP3 H2 HT 0.417000 1.0080 0
+ 4191 WT1 2544 TIP3 OH2 OT -0.834000 15.9994 0
+ 4192 WT1 2544 TIP3 H1 HT 0.417000 1.0080 0
+ 4193 WT1 2544 TIP3 H2 HT 0.417000 1.0080 0
+ 4194 WT1 2545 TIP3 OH2 OT -0.834000 15.9994 0
+ 4195 WT1 2545 TIP3 H1 HT 0.417000 1.0080 0
+ 4196 WT1 2545 TIP3 H2 HT 0.417000 1.0080 0
+ 4197 WT1 2547 TIP3 OH2 OT -0.834000 15.9994 0
+ 4198 WT1 2547 TIP3 H1 HT 0.417000 1.0080 0
+ 4199 WT1 2547 TIP3 H2 HT 0.417000 1.0080 0
+ 4200 WT1 2548 TIP3 OH2 OT -0.834000 15.9994 0
+ 4201 WT1 2548 TIP3 H1 HT 0.417000 1.0080 0
+ 4202 WT1 2548 TIP3 H2 HT 0.417000 1.0080 0
+ 4203 WT1 2549 TIP3 OH2 OT -0.834000 15.9994 0
+ 4204 WT1 2549 TIP3 H1 HT 0.417000 1.0080 0
+ 4205 WT1 2549 TIP3 H2 HT 0.417000 1.0080 0
+ 4206 WT1 2550 TIP3 OH2 OT -0.834000 15.9994 0
+ 4207 WT1 2550 TIP3 H1 HT 0.417000 1.0080 0
+ 4208 WT1 2550 TIP3 H2 HT 0.417000 1.0080 0
+ 4209 WT1 2551 TIP3 OH2 OT -0.834000 15.9994 0
+ 4210 WT1 2551 TIP3 H1 HT 0.417000 1.0080 0
+ 4211 WT1 2551 TIP3 H2 HT 0.417000 1.0080 0
+ 4212 WT1 2552 TIP3 OH2 OT -0.834000 15.9994 0
+ 4213 WT1 2552 TIP3 H1 HT 0.417000 1.0080 0
+ 4214 WT1 2552 TIP3 H2 HT 0.417000 1.0080 0
+ 4215 WT1 2553 TIP3 OH2 OT -0.834000 15.9994 0
+ 4216 WT1 2553 TIP3 H1 HT 0.417000 1.0080 0
+ 4217 WT1 2553 TIP3 H2 HT 0.417000 1.0080 0
+ 4218 WT1 2554 TIP3 OH2 OT -0.834000 15.9994 0
+ 4219 WT1 2554 TIP3 H1 HT 0.417000 1.0080 0
+ 4220 WT1 2554 TIP3 H2 HT 0.417000 1.0080 0
+ 4221 WT1 2556 TIP3 OH2 OT -0.834000 15.9994 0
+ 4222 WT1 2556 TIP3 H1 HT 0.417000 1.0080 0
+ 4223 WT1 2556 TIP3 H2 HT 0.417000 1.0080 0
+ 4224 WT1 2558 TIP3 OH2 OT -0.834000 15.9994 0
+ 4225 WT1 2558 TIP3 H1 HT 0.417000 1.0080 0
+ 4226 WT1 2558 TIP3 H2 HT 0.417000 1.0080 0
+ 4227 WT1 2562 TIP3 OH2 OT -0.834000 15.9994 0
+ 4228 WT1 2562 TIP3 H1 HT 0.417000 1.0080 0
+ 4229 WT1 2562 TIP3 H2 HT 0.417000 1.0080 0
+ 4230 WT1 2563 TIP3 OH2 OT -0.834000 15.9994 0
+ 4231 WT1 2563 TIP3 H1 HT 0.417000 1.0080 0
+ 4232 WT1 2563 TIP3 H2 HT 0.417000 1.0080 0
+ 4233 WT1 2564 TIP3 OH2 OT -0.834000 15.9994 0
+ 4234 WT1 2564 TIP3 H1 HT 0.417000 1.0080 0
+ 4235 WT1 2564 TIP3 H2 HT 0.417000 1.0080 0
+ 4236 WT1 2565 TIP3 OH2 OT -0.834000 15.9994 0
+ 4237 WT1 2565 TIP3 H1 HT 0.417000 1.0080 0
+ 4238 WT1 2565 TIP3 H2 HT 0.417000 1.0080 0
+ 4239 WT1 2567 TIP3 OH2 OT -0.834000 15.9994 0
+ 4240 WT1 2567 TIP3 H1 HT 0.417000 1.0080 0
+ 4241 WT1 2567 TIP3 H2 HT 0.417000 1.0080 0
+ 4242 WT1 2568 TIP3 OH2 OT -0.834000 15.9994 0
+ 4243 WT1 2568 TIP3 H1 HT 0.417000 1.0080 0
+ 4244 WT1 2568 TIP3 H2 HT 0.417000 1.0080 0
+ 4245 WT1 2569 TIP3 OH2 OT -0.834000 15.9994 0
+ 4246 WT1 2569 TIP3 H1 HT 0.417000 1.0080 0
+ 4247 WT1 2569 TIP3 H2 HT 0.417000 1.0080 0
+ 4248 WT1 2570 TIP3 OH2 OT -0.834000 15.9994 0
+ 4249 WT1 2570 TIP3 H1 HT 0.417000 1.0080 0
+ 4250 WT1 2570 TIP3 H2 HT 0.417000 1.0080 0
+ 4251 WT1 2571 TIP3 OH2 OT -0.834000 15.9994 0
+ 4252 WT1 2571 TIP3 H1 HT 0.417000 1.0080 0
+ 4253 WT1 2571 TIP3 H2 HT 0.417000 1.0080 0
+ 4254 WT1 2572 TIP3 OH2 OT -0.834000 15.9994 0
+ 4255 WT1 2572 TIP3 H1 HT 0.417000 1.0080 0
+ 4256 WT1 2572 TIP3 H2 HT 0.417000 1.0080 0
+ 4257 WT1 2574 TIP3 OH2 OT -0.834000 15.9994 0
+ 4258 WT1 2574 TIP3 H1 HT 0.417000 1.0080 0
+ 4259 WT1 2574 TIP3 H2 HT 0.417000 1.0080 0
+ 4260 WT1 2575 TIP3 OH2 OT -0.834000 15.9994 0
+ 4261 WT1 2575 TIP3 H1 HT 0.417000 1.0080 0
+ 4262 WT1 2575 TIP3 H2 HT 0.417000 1.0080 0
+ 4263 WT1 2580 TIP3 OH2 OT -0.834000 15.9994 0
+ 4264 WT1 2580 TIP3 H1 HT 0.417000 1.0080 0
+ 4265 WT1 2580 TIP3 H2 HT 0.417000 1.0080 0
+ 4266 WT1 2582 TIP3 OH2 OT -0.834000 15.9994 0
+ 4267 WT1 2582 TIP3 H1 HT 0.417000 1.0080 0
+ 4268 WT1 2582 TIP3 H2 HT 0.417000 1.0080 0
+ 4269 WT1 2584 TIP3 OH2 OT -0.834000 15.9994 0
+ 4270 WT1 2584 TIP3 H1 HT 0.417000 1.0080 0
+ 4271 WT1 2584 TIP3 H2 HT 0.417000 1.0080 0
+ 4272 WT1 2587 TIP3 OH2 OT -0.834000 15.9994 0
+ 4273 WT1 2587 TIP3 H1 HT 0.417000 1.0080 0
+ 4274 WT1 2587 TIP3 H2 HT 0.417000 1.0080 0
+ 4275 WT1 2588 TIP3 OH2 OT -0.834000 15.9994 0
+ 4276 WT1 2588 TIP3 H1 HT 0.417000 1.0080 0
+ 4277 WT1 2588 TIP3 H2 HT 0.417000 1.0080 0
+ 4278 WT1 2589 TIP3 OH2 OT -0.834000 15.9994 0
+ 4279 WT1 2589 TIP3 H1 HT 0.417000 1.0080 0
+ 4280 WT1 2589 TIP3 H2 HT 0.417000 1.0080 0
+ 4281 WT1 2590 TIP3 OH2 OT -0.834000 15.9994 0
+ 4282 WT1 2590 TIP3 H1 HT 0.417000 1.0080 0
+ 4283 WT1 2590 TIP3 H2 HT 0.417000 1.0080 0
+ 4284 WT1 2591 TIP3 OH2 OT -0.834000 15.9994 0
+ 4285 WT1 2591 TIP3 H1 HT 0.417000 1.0080 0
+ 4286 WT1 2591 TIP3 H2 HT 0.417000 1.0080 0
+ 4287 WT1 2592 TIP3 OH2 OT -0.834000 15.9994 0
+ 4288 WT1 2592 TIP3 H1 HT 0.417000 1.0080 0
+ 4289 WT1 2592 TIP3 H2 HT 0.417000 1.0080 0
+ 4290 WT1 2593 TIP3 OH2 OT -0.834000 15.9994 0
+ 4291 WT1 2593 TIP3 H1 HT 0.417000 1.0080 0
+ 4292 WT1 2593 TIP3 H2 HT 0.417000 1.0080 0
+ 4293 WT1 2594 TIP3 OH2 OT -0.834000 15.9994 0
+ 4294 WT1 2594 TIP3 H1 HT 0.417000 1.0080 0
+ 4295 WT1 2594 TIP3 H2 HT 0.417000 1.0080 0
+ 4296 WT1 2595 TIP3 OH2 OT -0.834000 15.9994 0
+ 4297 WT1 2595 TIP3 H1 HT 0.417000 1.0080 0
+ 4298 WT1 2595 TIP3 H2 HT 0.417000 1.0080 0
+ 4299 WT1 2596 TIP3 OH2 OT -0.834000 15.9994 0
+ 4300 WT1 2596 TIP3 H1 HT 0.417000 1.0080 0
+ 4301 WT1 2596 TIP3 H2 HT 0.417000 1.0080 0
+ 4302 WT1 2598 TIP3 OH2 OT -0.834000 15.9994 0
+ 4303 WT1 2598 TIP3 H1 HT 0.417000 1.0080 0
+ 4304 WT1 2598 TIP3 H2 HT 0.417000 1.0080 0
+ 4305 WT1 2606 TIP3 OH2 OT -0.834000 15.9994 0
+ 4306 WT1 2606 TIP3 H1 HT 0.417000 1.0080 0
+ 4307 WT1 2606 TIP3 H2 HT 0.417000 1.0080 0
+ 4308 WT1 2607 TIP3 OH2 OT -0.834000 15.9994 0
+ 4309 WT1 2607 TIP3 H1 HT 0.417000 1.0080 0
+ 4310 WT1 2607 TIP3 H2 HT 0.417000 1.0080 0
+ 4311 WT1 2608 TIP3 OH2 OT -0.834000 15.9994 0
+ 4312 WT1 2608 TIP3 H1 HT 0.417000 1.0080 0
+ 4313 WT1 2608 TIP3 H2 HT 0.417000 1.0080 0
+ 4314 WT1 2609 TIP3 OH2 OT -0.834000 15.9994 0
+ 4315 WT1 2609 TIP3 H1 HT 0.417000 1.0080 0
+ 4316 WT1 2609 TIP3 H2 HT 0.417000 1.0080 0
+ 4317 WT1 2610 TIP3 OH2 OT -0.834000 15.9994 0
+ 4318 WT1 2610 TIP3 H1 HT 0.417000 1.0080 0
+ 4319 WT1 2610 TIP3 H2 HT 0.417000 1.0080 0
+ 4320 WT1 2612 TIP3 OH2 OT -0.834000 15.9994 0
+ 4321 WT1 2612 TIP3 H1 HT 0.417000 1.0080 0
+ 4322 WT1 2612 TIP3 H2 HT 0.417000 1.0080 0
+ 4323 WT1 2614 TIP3 OH2 OT -0.834000 15.9994 0
+ 4324 WT1 2614 TIP3 H1 HT 0.417000 1.0080 0
+ 4325 WT1 2614 TIP3 H2 HT 0.417000 1.0080 0
+ 4326 WT1 2616 TIP3 OH2 OT -0.834000 15.9994 0
+ 4327 WT1 2616 TIP3 H1 HT 0.417000 1.0080 0
+ 4328 WT1 2616 TIP3 H2 HT 0.417000 1.0080 0
+ 4329 WT1 2617 TIP3 OH2 OT -0.834000 15.9994 0
+ 4330 WT1 2617 TIP3 H1 HT 0.417000 1.0080 0
+ 4331 WT1 2617 TIP3 H2 HT 0.417000 1.0080 0
+ 4332 WT1 2618 TIP3 OH2 OT -0.834000 15.9994 0
+ 4333 WT1 2618 TIP3 H1 HT 0.417000 1.0080 0
+ 4334 WT1 2618 TIP3 H2 HT 0.417000 1.0080 0
+ 4335 WT1 2619 TIP3 OH2 OT -0.834000 15.9994 0
+ 4336 WT1 2619 TIP3 H1 HT 0.417000 1.0080 0
+ 4337 WT1 2619 TIP3 H2 HT 0.417000 1.0080 0
+ 4338 WT1 2622 TIP3 OH2 OT -0.834000 15.9994 0
+ 4339 WT1 2622 TIP3 H1 HT 0.417000 1.0080 0
+ 4340 WT1 2622 TIP3 H2 HT 0.417000 1.0080 0
+ 4341 WT1 2628 TIP3 OH2 OT -0.834000 15.9994 0
+ 4342 WT1 2628 TIP3 H1 HT 0.417000 1.0080 0
+ 4343 WT1 2628 TIP3 H2 HT 0.417000 1.0080 0
+ 4344 WT1 2631 TIP3 OH2 OT -0.834000 15.9994 0
+ 4345 WT1 2631 TIP3 H1 HT 0.417000 1.0080 0
+ 4346 WT1 2631 TIP3 H2 HT 0.417000 1.0080 0
+ 4347 WT1 2632 TIP3 OH2 OT -0.834000 15.9994 0
+ 4348 WT1 2632 TIP3 H1 HT 0.417000 1.0080 0
+ 4349 WT1 2632 TIP3 H2 HT 0.417000 1.0080 0
+ 4350 WT1 2634 TIP3 OH2 OT -0.834000 15.9994 0
+ 4351 WT1 2634 TIP3 H1 HT 0.417000 1.0080 0
+ 4352 WT1 2634 TIP3 H2 HT 0.417000 1.0080 0
+ 4353 WT1 2635 TIP3 OH2 OT -0.834000 15.9994 0
+ 4354 WT1 2635 TIP3 H1 HT 0.417000 1.0080 0
+ 4355 WT1 2635 TIP3 H2 HT 0.417000 1.0080 0
+ 4356 WT1 2637 TIP3 OH2 OT -0.834000 15.9994 0
+ 4357 WT1 2637 TIP3 H1 HT 0.417000 1.0080 0
+ 4358 WT1 2637 TIP3 H2 HT 0.417000 1.0080 0
+ 4359 WT1 2638 TIP3 OH2 OT -0.834000 15.9994 0
+ 4360 WT1 2638 TIP3 H1 HT 0.417000 1.0080 0
+ 4361 WT1 2638 TIP3 H2 HT 0.417000 1.0080 0
+ 4362 WT1 2640 TIP3 OH2 OT -0.834000 15.9994 0
+ 4363 WT1 2640 TIP3 H1 HT 0.417000 1.0080 0
+ 4364 WT1 2640 TIP3 H2 HT 0.417000 1.0080 0
+ 4365 WT1 2644 TIP3 OH2 OT -0.834000 15.9994 0
+ 4366 WT1 2644 TIP3 H1 HT 0.417000 1.0080 0
+ 4367 WT1 2644 TIP3 H2 HT 0.417000 1.0080 0
+ 4368 WT1 2648 TIP3 OH2 OT -0.834000 15.9994 0
+ 4369 WT1 2648 TIP3 H1 HT 0.417000 1.0080 0
+ 4370 WT1 2648 TIP3 H2 HT 0.417000 1.0080 0
+ 4371 WT1 2649 TIP3 OH2 OT -0.834000 15.9994 0
+ 4372 WT1 2649 TIP3 H1 HT 0.417000 1.0080 0
+ 4373 WT1 2649 TIP3 H2 HT 0.417000 1.0080 0
+ 4374 WT1 2650 TIP3 OH2 OT -0.834000 15.9994 0
+ 4375 WT1 2650 TIP3 H1 HT 0.417000 1.0080 0
+ 4376 WT1 2650 TIP3 H2 HT 0.417000 1.0080 0
+ 4377 WT1 2651 TIP3 OH2 OT -0.834000 15.9994 0
+ 4378 WT1 2651 TIP3 H1 HT 0.417000 1.0080 0
+ 4379 WT1 2651 TIP3 H2 HT 0.417000 1.0080 0
+ 4380 WT1 2653 TIP3 OH2 OT -0.834000 15.9994 0
+ 4381 WT1 2653 TIP3 H1 HT 0.417000 1.0080 0
+ 4382 WT1 2653 TIP3 H2 HT 0.417000 1.0080 0
+ 4383 WT1 2654 TIP3 OH2 OT -0.834000 15.9994 0
+ 4384 WT1 2654 TIP3 H1 HT 0.417000 1.0080 0
+ 4385 WT1 2654 TIP3 H2 HT 0.417000 1.0080 0
+ 4386 WT1 2656 TIP3 OH2 OT -0.834000 15.9994 0
+ 4387 WT1 2656 TIP3 H1 HT 0.417000 1.0080 0
+ 4388 WT1 2656 TIP3 H2 HT 0.417000 1.0080 0
+ 4389 WT1 2657 TIP3 OH2 OT -0.834000 15.9994 0
+ 4390 WT1 2657 TIP3 H1 HT 0.417000 1.0080 0
+ 4391 WT1 2657 TIP3 H2 HT 0.417000 1.0080 0
+ 4392 WT1 2658 TIP3 OH2 OT -0.834000 15.9994 0
+ 4393 WT1 2658 TIP3 H1 HT 0.417000 1.0080 0
+ 4394 WT1 2658 TIP3 H2 HT 0.417000 1.0080 0
+ 4395 WT1 2659 TIP3 OH2 OT -0.834000 15.9994 0
+ 4396 WT1 2659 TIP3 H1 HT 0.417000 1.0080 0
+ 4397 WT1 2659 TIP3 H2 HT 0.417000 1.0080 0
+ 4398 WT1 2662 TIP3 OH2 OT -0.834000 15.9994 0
+ 4399 WT1 2662 TIP3 H1 HT 0.417000 1.0080 0
+ 4400 WT1 2662 TIP3 H2 HT 0.417000 1.0080 0
+ 4401 WT1 2667 TIP3 OH2 OT -0.834000 15.9994 0
+ 4402 WT1 2667 TIP3 H1 HT 0.417000 1.0080 0
+ 4403 WT1 2667 TIP3 H2 HT 0.417000 1.0080 0
+ 4404 WT1 2669 TIP3 OH2 OT -0.834000 15.9994 0
+ 4405 WT1 2669 TIP3 H1 HT 0.417000 1.0080 0
+ 4406 WT1 2669 TIP3 H2 HT 0.417000 1.0080 0
+ 4407 WT1 2670 TIP3 OH2 OT -0.834000 15.9994 0
+ 4408 WT1 2670 TIP3 H1 HT 0.417000 1.0080 0
+ 4409 WT1 2670 TIP3 H2 HT 0.417000 1.0080 0
+ 4410 WT1 2672 TIP3 OH2 OT -0.834000 15.9994 0
+ 4411 WT1 2672 TIP3 H1 HT 0.417000 1.0080 0
+ 4412 WT1 2672 TIP3 H2 HT 0.417000 1.0080 0
+ 4413 WT1 2673 TIP3 OH2 OT -0.834000 15.9994 0
+ 4414 WT1 2673 TIP3 H1 HT 0.417000 1.0080 0
+ 4415 WT1 2673 TIP3 H2 HT 0.417000 1.0080 0
+ 4416 WT1 2674 TIP3 OH2 OT -0.834000 15.9994 0
+ 4417 WT1 2674 TIP3 H1 HT 0.417000 1.0080 0
+ 4418 WT1 2674 TIP3 H2 HT 0.417000 1.0080 0
+ 4419 WT1 2675 TIP3 OH2 OT -0.834000 15.9994 0
+ 4420 WT1 2675 TIP3 H1 HT 0.417000 1.0080 0
+ 4421 WT1 2675 TIP3 H2 HT 0.417000 1.0080 0
+ 4422 WT1 2676 TIP3 OH2 OT -0.834000 15.9994 0
+ 4423 WT1 2676 TIP3 H1 HT 0.417000 1.0080 0
+ 4424 WT1 2676 TIP3 H2 HT 0.417000 1.0080 0
+ 4425 WT1 2677 TIP3 OH2 OT -0.834000 15.9994 0
+ 4426 WT1 2677 TIP3 H1 HT 0.417000 1.0080 0
+ 4427 WT1 2677 TIP3 H2 HT 0.417000 1.0080 0
+ 4428 WT1 2678 TIP3 OH2 OT -0.834000 15.9994 0
+ 4429 WT1 2678 TIP3 H1 HT 0.417000 1.0080 0
+ 4430 WT1 2678 TIP3 H2 HT 0.417000 1.0080 0
+ 4431 WT1 2679 TIP3 OH2 OT -0.834000 15.9994 0
+ 4432 WT1 2679 TIP3 H1 HT 0.417000 1.0080 0
+ 4433 WT1 2679 TIP3 H2 HT 0.417000 1.0080 0
+ 4434 WT1 2680 TIP3 OH2 OT -0.834000 15.9994 0
+ 4435 WT1 2680 TIP3 H1 HT 0.417000 1.0080 0
+ 4436 WT1 2680 TIP3 H2 HT 0.417000 1.0080 0
+ 4437 WT1 2681 TIP3 OH2 OT -0.834000 15.9994 0
+ 4438 WT1 2681 TIP3 H1 HT 0.417000 1.0080 0
+ 4439 WT1 2681 TIP3 H2 HT 0.417000 1.0080 0
+ 4440 WT1 2682 TIP3 OH2 OT -0.834000 15.9994 0
+ 4441 WT1 2682 TIP3 H1 HT 0.417000 1.0080 0
+ 4442 WT1 2682 TIP3 H2 HT 0.417000 1.0080 0
+ 4443 WT1 2683 TIP3 OH2 OT -0.834000 15.9994 0
+ 4444 WT1 2683 TIP3 H1 HT 0.417000 1.0080 0
+ 4445 WT1 2683 TIP3 H2 HT 0.417000 1.0080 0
+ 4446 WT1 2684 TIP3 OH2 OT -0.834000 15.9994 0
+ 4447 WT1 2684 TIP3 H1 HT 0.417000 1.0080 0
+ 4448 WT1 2684 TIP3 H2 HT 0.417000 1.0080 0
+ 4449 WT1 2689 TIP3 OH2 OT -0.834000 15.9994 0
+ 4450 WT1 2689 TIP3 H1 HT 0.417000 1.0080 0
+ 4451 WT1 2689 TIP3 H2 HT 0.417000 1.0080 0
+ 4452 WT1 2690 TIP3 OH2 OT -0.834000 15.9994 0
+ 4453 WT1 2690 TIP3 H1 HT 0.417000 1.0080 0
+ 4454 WT1 2690 TIP3 H2 HT 0.417000 1.0080 0
+ 4455 WT1 2691 TIP3 OH2 OT -0.834000 15.9994 0
+ 4456 WT1 2691 TIP3 H1 HT 0.417000 1.0080 0
+ 4457 WT1 2691 TIP3 H2 HT 0.417000 1.0080 0
+ 4458 WT1 2692 TIP3 OH2 OT -0.834000 15.9994 0
+ 4459 WT1 2692 TIP3 H1 HT 0.417000 1.0080 0
+ 4460 WT1 2692 TIP3 H2 HT 0.417000 1.0080 0
+ 4461 WT1 2693 TIP3 OH2 OT -0.834000 15.9994 0
+ 4462 WT1 2693 TIP3 H1 HT 0.417000 1.0080 0
+ 4463 WT1 2693 TIP3 H2 HT 0.417000 1.0080 0
+ 4464 WT1 2694 TIP3 OH2 OT -0.834000 15.9994 0
+ 4465 WT1 2694 TIP3 H1 HT 0.417000 1.0080 0
+ 4466 WT1 2694 TIP3 H2 HT 0.417000 1.0080 0
+ 4467 WT1 2695 TIP3 OH2 OT -0.834000 15.9994 0
+ 4468 WT1 2695 TIP3 H1 HT 0.417000 1.0080 0
+ 4469 WT1 2695 TIP3 H2 HT 0.417000 1.0080 0
+ 4470 WT1 2696 TIP3 OH2 OT -0.834000 15.9994 0
+ 4471 WT1 2696 TIP3 H1 HT 0.417000 1.0080 0
+ 4472 WT1 2696 TIP3 H2 HT 0.417000 1.0080 0
+ 4473 WT1 2697 TIP3 OH2 OT -0.834000 15.9994 0
+ 4474 WT1 2697 TIP3 H1 HT 0.417000 1.0080 0
+ 4475 WT1 2697 TIP3 H2 HT 0.417000 1.0080 0
+ 4476 WT1 2698 TIP3 OH2 OT -0.834000 15.9994 0
+ 4477 WT1 2698 TIP3 H1 HT 0.417000 1.0080 0
+ 4478 WT1 2698 TIP3 H2 HT 0.417000 1.0080 0
+ 4479 WT1 2699 TIP3 OH2 OT -0.834000 15.9994 0
+ 4480 WT1 2699 TIP3 H1 HT 0.417000 1.0080 0
+ 4481 WT1 2699 TIP3 H2 HT 0.417000 1.0080 0
+ 4482 WT1 2701 TIP3 OH2 OT -0.834000 15.9994 0
+ 4483 WT1 2701 TIP3 H1 HT 0.417000 1.0080 0
+ 4484 WT1 2701 TIP3 H2 HT 0.417000 1.0080 0
+ 4485 WT1 2703 TIP3 OH2 OT -0.834000 15.9994 0
+ 4486 WT1 2703 TIP3 H1 HT 0.417000 1.0080 0
+ 4487 WT1 2703 TIP3 H2 HT 0.417000 1.0080 0
+ 4488 WT1 2704 TIP3 OH2 OT -0.834000 15.9994 0
+ 4489 WT1 2704 TIP3 H1 HT 0.417000 1.0080 0
+ 4490 WT1 2704 TIP3 H2 HT 0.417000 1.0080 0
+ 4491 WT1 2709 TIP3 OH2 OT -0.834000 15.9994 0
+ 4492 WT1 2709 TIP3 H1 HT 0.417000 1.0080 0
+ 4493 WT1 2709 TIP3 H2 HT 0.417000 1.0080 0
+ 4494 WT1 2710 TIP3 OH2 OT -0.834000 15.9994 0
+ 4495 WT1 2710 TIP3 H1 HT 0.417000 1.0080 0
+ 4496 WT1 2710 TIP3 H2 HT 0.417000 1.0080 0
+ 4497 WT1 2712 TIP3 OH2 OT -0.834000 15.9994 0
+ 4498 WT1 2712 TIP3 H1 HT 0.417000 1.0080 0
+ 4499 WT1 2712 TIP3 H2 HT 0.417000 1.0080 0
+ 4500 WT1 2713 TIP3 OH2 OT -0.834000 15.9994 0
+ 4501 WT1 2713 TIP3 H1 HT 0.417000 1.0080 0
+ 4502 WT1 2713 TIP3 H2 HT 0.417000 1.0080 0
+ 4503 WT1 2714 TIP3 OH2 OT -0.834000 15.9994 0
+ 4504 WT1 2714 TIP3 H1 HT 0.417000 1.0080 0
+ 4505 WT1 2714 TIP3 H2 HT 0.417000 1.0080 0
+ 4506 WT1 2715 TIP3 OH2 OT -0.834000 15.9994 0
+ 4507 WT1 2715 TIP3 H1 HT 0.417000 1.0080 0
+ 4508 WT1 2715 TIP3 H2 HT 0.417000 1.0080 0
+ 4509 WT1 2718 TIP3 OH2 OT -0.834000 15.9994 0
+ 4510 WT1 2718 TIP3 H1 HT 0.417000 1.0080 0
+ 4511 WT1 2718 TIP3 H2 HT 0.417000 1.0080 0
+ 4512 WT1 2720 TIP3 OH2 OT -0.834000 15.9994 0
+ 4513 WT1 2720 TIP3 H1 HT 0.417000 1.0080 0
+ 4514 WT1 2720 TIP3 H2 HT 0.417000 1.0080 0
+ 4515 WT1 2721 TIP3 OH2 OT -0.834000 15.9994 0
+ 4516 WT1 2721 TIP3 H1 HT 0.417000 1.0080 0
+ 4517 WT1 2721 TIP3 H2 HT 0.417000 1.0080 0
+ 4518 WT1 2722 TIP3 OH2 OT -0.834000 15.9994 0
+ 4519 WT1 2722 TIP3 H1 HT 0.417000 1.0080 0
+ 4520 WT1 2722 TIP3 H2 HT 0.417000 1.0080 0
+ 4521 WT1 2723 TIP3 OH2 OT -0.834000 15.9994 0
+ 4522 WT1 2723 TIP3 H1 HT 0.417000 1.0080 0
+ 4523 WT1 2723 TIP3 H2 HT 0.417000 1.0080 0
+ 4524 WT1 2724 TIP3 OH2 OT -0.834000 15.9994 0
+ 4525 WT1 2724 TIP3 H1 HT 0.417000 1.0080 0
+ 4526 WT1 2724 TIP3 H2 HT 0.417000 1.0080 0
+ 4527 WT1 2732 TIP3 OH2 OT -0.834000 15.9994 0
+ 4528 WT1 2732 TIP3 H1 HT 0.417000 1.0080 0
+ 4529 WT1 2732 TIP3 H2 HT 0.417000 1.0080 0
+ 4530 WT1 2734 TIP3 OH2 OT -0.834000 15.9994 0
+ 4531 WT1 2734 TIP3 H1 HT 0.417000 1.0080 0
+ 4532 WT1 2734 TIP3 H2 HT 0.417000 1.0080 0
+ 4533 WT1 2735 TIP3 OH2 OT -0.834000 15.9994 0
+ 4534 WT1 2735 TIP3 H1 HT 0.417000 1.0080 0
+ 4535 WT1 2735 TIP3 H2 HT 0.417000 1.0080 0
+ 4536 WT1 2736 TIP3 OH2 OT -0.834000 15.9994 0
+ 4537 WT1 2736 TIP3 H1 HT 0.417000 1.0080 0
+ 4538 WT1 2736 TIP3 H2 HT 0.417000 1.0080 0
+ 4539 WT1 2738 TIP3 OH2 OT -0.834000 15.9994 0
+ 4540 WT1 2738 TIP3 H1 HT 0.417000 1.0080 0
+ 4541 WT1 2738 TIP3 H2 HT 0.417000 1.0080 0
+ 4542 WT1 2739 TIP3 OH2 OT -0.834000 15.9994 0
+ 4543 WT1 2739 TIP3 H1 HT 0.417000 1.0080 0
+ 4544 WT1 2739 TIP3 H2 HT 0.417000 1.0080 0
+ 4545 WT1 2741 TIP3 OH2 OT -0.834000 15.9994 0
+ 4546 WT1 2741 TIP3 H1 HT 0.417000 1.0080 0
+ 4547 WT1 2741 TIP3 H2 HT 0.417000 1.0080 0
+ 4548 WT1 2743 TIP3 OH2 OT -0.834000 15.9994 0
+ 4549 WT1 2743 TIP3 H1 HT 0.417000 1.0080 0
+ 4550 WT1 2743 TIP3 H2 HT 0.417000 1.0080 0
+ 4551 WT1 2744 TIP3 OH2 OT -0.834000 15.9994 0
+ 4552 WT1 2744 TIP3 H1 HT 0.417000 1.0080 0
+ 4553 WT1 2744 TIP3 H2 HT 0.417000 1.0080 0
+ 4554 WT1 2746 TIP3 OH2 OT -0.834000 15.9994 0
+ 4555 WT1 2746 TIP3 H1 HT 0.417000 1.0080 0
+ 4556 WT1 2746 TIP3 H2 HT 0.417000 1.0080 0
+ 4557 WT1 2753 TIP3 OH2 OT -0.834000 15.9994 0
+ 4558 WT1 2753 TIP3 H1 HT 0.417000 1.0080 0
+ 4559 WT1 2753 TIP3 H2 HT 0.417000 1.0080 0
+ 4560 WT1 2754 TIP3 OH2 OT -0.834000 15.9994 0
+ 4561 WT1 2754 TIP3 H1 HT 0.417000 1.0080 0
+ 4562 WT1 2754 TIP3 H2 HT 0.417000 1.0080 0
+ 4563 WT1 2755 TIP3 OH2 OT -0.834000 15.9994 0
+ 4564 WT1 2755 TIP3 H1 HT 0.417000 1.0080 0
+ 4565 WT1 2755 TIP3 H2 HT 0.417000 1.0080 0
+ 4566 WT1 2756 TIP3 OH2 OT -0.834000 15.9994 0
+ 4567 WT1 2756 TIP3 H1 HT 0.417000 1.0080 0
+ 4568 WT1 2756 TIP3 H2 HT 0.417000 1.0080 0
+ 4569 WT1 2758 TIP3 OH2 OT -0.834000 15.9994 0
+ 4570 WT1 2758 TIP3 H1 HT 0.417000 1.0080 0
+ 4571 WT1 2758 TIP3 H2 HT 0.417000 1.0080 0
+ 4572 WT1 2760 TIP3 OH2 OT -0.834000 15.9994 0
+ 4573 WT1 2760 TIP3 H1 HT 0.417000 1.0080 0
+ 4574 WT1 2760 TIP3 H2 HT 0.417000 1.0080 0
+ 4575 WT1 2761 TIP3 OH2 OT -0.834000 15.9994 0
+ 4576 WT1 2761 TIP3 H1 HT 0.417000 1.0080 0
+ 4577 WT1 2761 TIP3 H2 HT 0.417000 1.0080 0
+ 4578 WT1 2762 TIP3 OH2 OT -0.834000 15.9994 0
+ 4579 WT1 2762 TIP3 H1 HT 0.417000 1.0080 0
+ 4580 WT1 2762 TIP3 H2 HT 0.417000 1.0080 0
+ 4581 WT1 2767 TIP3 OH2 OT -0.834000 15.9994 0
+ 4582 WT1 2767 TIP3 H1 HT 0.417000 1.0080 0
+ 4583 WT1 2767 TIP3 H2 HT 0.417000 1.0080 0
+ 4584 WT1 2774 TIP3 OH2 OT -0.834000 15.9994 0
+ 4585 WT1 2774 TIP3 H1 HT 0.417000 1.0080 0
+ 4586 WT1 2774 TIP3 H2 HT 0.417000 1.0080 0
+ 4587 WT1 2775 TIP3 OH2 OT -0.834000 15.9994 0
+ 4588 WT1 2775 TIP3 H1 HT 0.417000 1.0080 0
+ 4589 WT1 2775 TIP3 H2 HT 0.417000 1.0080 0
+ 4590 WT1 2777 TIP3 OH2 OT -0.834000 15.9994 0
+ 4591 WT1 2777 TIP3 H1 HT 0.417000 1.0080 0
+ 4592 WT1 2777 TIP3 H2 HT 0.417000 1.0080 0
+ 4593 WT1 2778 TIP3 OH2 OT -0.834000 15.9994 0
+ 4594 WT1 2778 TIP3 H1 HT 0.417000 1.0080 0
+ 4595 WT1 2778 TIP3 H2 HT 0.417000 1.0080 0
+ 4596 WT1 2779 TIP3 OH2 OT -0.834000 15.9994 0
+ 4597 WT1 2779 TIP3 H1 HT 0.417000 1.0080 0
+ 4598 WT1 2779 TIP3 H2 HT 0.417000 1.0080 0
+ 4599 WT1 2780 TIP3 OH2 OT -0.834000 15.9994 0
+ 4600 WT1 2780 TIP3 H1 HT 0.417000 1.0080 0
+ 4601 WT1 2780 TIP3 H2 HT 0.417000 1.0080 0
+ 4602 WT1 2781 TIP3 OH2 OT -0.834000 15.9994 0
+ 4603 WT1 2781 TIP3 H1 HT 0.417000 1.0080 0
+ 4604 WT1 2781 TIP3 H2 HT 0.417000 1.0080 0
+ 4605 WT1 2782 TIP3 OH2 OT -0.834000 15.9994 0
+ 4606 WT1 2782 TIP3 H1 HT 0.417000 1.0080 0
+ 4607 WT1 2782 TIP3 H2 HT 0.417000 1.0080 0
+ 4608 WT1 2783 TIP3 OH2 OT -0.834000 15.9994 0
+ 4609 WT1 2783 TIP3 H1 HT 0.417000 1.0080 0
+ 4610 WT1 2783 TIP3 H2 HT 0.417000 1.0080 0
+ 4611 WT1 2784 TIP3 OH2 OT -0.834000 15.9994 0
+ 4612 WT1 2784 TIP3 H1 HT 0.417000 1.0080 0
+ 4613 WT1 2784 TIP3 H2 HT 0.417000 1.0080 0
+ 4614 WT1 2785 TIP3 OH2 OT -0.834000 15.9994 0
+ 4615 WT1 2785 TIP3 H1 HT 0.417000 1.0080 0
+ 4616 WT1 2785 TIP3 H2 HT 0.417000 1.0080 0
+ 4617 WT1 2786 TIP3 OH2 OT -0.834000 15.9994 0
+ 4618 WT1 2786 TIP3 H1 HT 0.417000 1.0080 0
+ 4619 WT1 2786 TIP3 H2 HT 0.417000 1.0080 0
+ 4620 WT1 2790 TIP3 OH2 OT -0.834000 15.9994 0
+ 4621 WT1 2790 TIP3 H1 HT 0.417000 1.0080 0
+ 4622 WT1 2790 TIP3 H2 HT 0.417000 1.0080 0
+ 4623 WT1 2794 TIP3 OH2 OT -0.834000 15.9994 0
+ 4624 WT1 2794 TIP3 H1 HT 0.417000 1.0080 0
+ 4625 WT1 2794 TIP3 H2 HT 0.417000 1.0080 0
+ 4626 WT1 2795 TIP3 OH2 OT -0.834000 15.9994 0
+ 4627 WT1 2795 TIP3 H1 HT 0.417000 1.0080 0
+ 4628 WT1 2795 TIP3 H2 HT 0.417000 1.0080 0
+ 4629 WT1 2796 TIP3 OH2 OT -0.834000 15.9994 0
+ 4630 WT1 2796 TIP3 H1 HT 0.417000 1.0080 0
+ 4631 WT1 2796 TIP3 H2 HT 0.417000 1.0080 0
+ 4632 WT1 2798 TIP3 OH2 OT -0.834000 15.9994 0
+ 4633 WT1 2798 TIP3 H1 HT 0.417000 1.0080 0
+ 4634 WT1 2798 TIP3 H2 HT 0.417000 1.0080 0
+ 4635 WT1 2799 TIP3 OH2 OT -0.834000 15.9994 0
+ 4636 WT1 2799 TIP3 H1 HT 0.417000 1.0080 0
+ 4637 WT1 2799 TIP3 H2 HT 0.417000 1.0080 0
+ 4638 WT1 2800 TIP3 OH2 OT -0.834000 15.9994 0
+ 4639 WT1 2800 TIP3 H1 HT 0.417000 1.0080 0
+ 4640 WT1 2800 TIP3 H2 HT 0.417000 1.0080 0
+ 4641 WT1 2801 TIP3 OH2 OT -0.834000 15.9994 0
+ 4642 WT1 2801 TIP3 H1 HT 0.417000 1.0080 0
+ 4643 WT1 2801 TIP3 H2 HT 0.417000 1.0080 0
+ 4644 WT1 2802 TIP3 OH2 OT -0.834000 15.9994 0
+ 4645 WT1 2802 TIP3 H1 HT 0.417000 1.0080 0
+ 4646 WT1 2802 TIP3 H2 HT 0.417000 1.0080 0
+ 4647 WT1 2803 TIP3 OH2 OT -0.834000 15.9994 0
+ 4648 WT1 2803 TIP3 H1 HT 0.417000 1.0080 0
+ 4649 WT1 2803 TIP3 H2 HT 0.417000 1.0080 0
+ 4650 WT1 2805 TIP3 OH2 OT -0.834000 15.9994 0
+ 4651 WT1 2805 TIP3 H1 HT 0.417000 1.0080 0
+ 4652 WT1 2805 TIP3 H2 HT 0.417000 1.0080 0
+ 4653 WT1 2806 TIP3 OH2 OT -0.834000 15.9994 0
+ 4654 WT1 2806 TIP3 H1 HT 0.417000 1.0080 0
+ 4655 WT1 2806 TIP3 H2 HT 0.417000 1.0080 0
+ 4656 WT1 2807 TIP3 OH2 OT -0.834000 15.9994 0
+ 4657 WT1 2807 TIP3 H1 HT 0.417000 1.0080 0
+ 4658 WT1 2807 TIP3 H2 HT 0.417000 1.0080 0
+ 4659 WT1 2808 TIP3 OH2 OT -0.834000 15.9994 0
+ 4660 WT1 2808 TIP3 H1 HT 0.417000 1.0080 0
+ 4661 WT1 2808 TIP3 H2 HT 0.417000 1.0080 0
+ 4662 WT1 2815 TIP3 OH2 OT -0.834000 15.9994 0
+ 4663 WT1 2815 TIP3 H1 HT 0.417000 1.0080 0
+ 4664 WT1 2815 TIP3 H2 HT 0.417000 1.0080 0
+ 4665 WT1 2818 TIP3 OH2 OT -0.834000 15.9994 0
+ 4666 WT1 2818 TIP3 H1 HT 0.417000 1.0080 0
+ 4667 WT1 2818 TIP3 H2 HT 0.417000 1.0080 0
+ 4668 WT1 2819 TIP3 OH2 OT -0.834000 15.9994 0
+ 4669 WT1 2819 TIP3 H1 HT 0.417000 1.0080 0
+ 4670 WT1 2819 TIP3 H2 HT 0.417000 1.0080 0
+ 4671 WT1 2820 TIP3 OH2 OT -0.834000 15.9994 0
+ 4672 WT1 2820 TIP3 H1 HT 0.417000 1.0080 0
+ 4673 WT1 2820 TIP3 H2 HT 0.417000 1.0080 0
+ 4674 WT1 2822 TIP3 OH2 OT -0.834000 15.9994 0
+ 4675 WT1 2822 TIP3 H1 HT 0.417000 1.0080 0
+ 4676 WT1 2822 TIP3 H2 HT 0.417000 1.0080 0
+ 4677 WT1 2823 TIP3 OH2 OT -0.834000 15.9994 0
+ 4678 WT1 2823 TIP3 H1 HT 0.417000 1.0080 0
+ 4679 WT1 2823 TIP3 H2 HT 0.417000 1.0080 0
+ 4680 WT1 2824 TIP3 OH2 OT -0.834000 15.9994 0
+ 4681 WT1 2824 TIP3 H1 HT 0.417000 1.0080 0
+ 4682 WT1 2824 TIP3 H2 HT 0.417000 1.0080 0
+ 4683 WT1 2825 TIP3 OH2 OT -0.834000 15.9994 0
+ 4684 WT1 2825 TIP3 H1 HT 0.417000 1.0080 0
+ 4685 WT1 2825 TIP3 H2 HT 0.417000 1.0080 0
+ 4686 WT1 2826 TIP3 OH2 OT -0.834000 15.9994 0
+ 4687 WT1 2826 TIP3 H1 HT 0.417000 1.0080 0
+ 4688 WT1 2826 TIP3 H2 HT 0.417000 1.0080 0
+ 4689 WT1 2827 TIP3 OH2 OT -0.834000 15.9994 0
+ 4690 WT1 2827 TIP3 H1 HT 0.417000 1.0080 0
+ 4691 WT1 2827 TIP3 H2 HT 0.417000 1.0080 0
+ 4692 WT1 2829 TIP3 OH2 OT -0.834000 15.9994 0
+ 4693 WT1 2829 TIP3 H1 HT 0.417000 1.0080 0
+ 4694 WT1 2829 TIP3 H2 HT 0.417000 1.0080 0
+ 4695 WT1 2830 TIP3 OH2 OT -0.834000 15.9994 0
+ 4696 WT1 2830 TIP3 H1 HT 0.417000 1.0080 0
+ 4697 WT1 2830 TIP3 H2 HT 0.417000 1.0080 0
+ 4698 WT1 2831 TIP3 OH2 OT -0.834000 15.9994 0
+ 4699 WT1 2831 TIP3 H1 HT 0.417000 1.0080 0
+ 4700 WT1 2831 TIP3 H2 HT 0.417000 1.0080 0
+ 4701 WT1 2832 TIP3 OH2 OT -0.834000 15.9994 0
+ 4702 WT1 2832 TIP3 H1 HT 0.417000 1.0080 0
+ 4703 WT1 2832 TIP3 H2 HT 0.417000 1.0080 0
+ 4704 WT1 2838 TIP3 OH2 OT -0.834000 15.9994 0
+ 4705 WT1 2838 TIP3 H1 HT 0.417000 1.0080 0
+ 4706 WT1 2838 TIP3 H2 HT 0.417000 1.0080 0
+ 4707 WT1 2843 TIP3 OH2 OT -0.834000 15.9994 0
+ 4708 WT1 2843 TIP3 H1 HT 0.417000 1.0080 0
+ 4709 WT1 2843 TIP3 H2 HT 0.417000 1.0080 0
+ 4710 WT1 2844 TIP3 OH2 OT -0.834000 15.9994 0
+ 4711 WT1 2844 TIP3 H1 HT 0.417000 1.0080 0
+ 4712 WT1 2844 TIP3 H2 HT 0.417000 1.0080 0
+ 4713 WT1 2845 TIP3 OH2 OT -0.834000 15.9994 0
+ 4714 WT1 2845 TIP3 H1 HT 0.417000 1.0080 0
+ 4715 WT1 2845 TIP3 H2 HT 0.417000 1.0080 0
+ 4716 WT1 2846 TIP3 OH2 OT -0.834000 15.9994 0
+ 4717 WT1 2846 TIP3 H1 HT 0.417000 1.0080 0
+ 4718 WT1 2846 TIP3 H2 HT 0.417000 1.0080 0
+ 4719 WT1 2847 TIP3 OH2 OT -0.834000 15.9994 0
+ 4720 WT1 2847 TIP3 H1 HT 0.417000 1.0080 0
+ 4721 WT1 2847 TIP3 H2 HT 0.417000 1.0080 0
+ 4722 WT1 2848 TIP3 OH2 OT -0.834000 15.9994 0
+ 4723 WT1 2848 TIP3 H1 HT 0.417000 1.0080 0
+ 4724 WT1 2848 TIP3 H2 HT 0.417000 1.0080 0
+ 4725 WT1 2853 TIP3 OH2 OT -0.834000 15.9994 0
+ 4726 WT1 2853 TIP3 H1 HT 0.417000 1.0080 0
+ 4727 WT1 2853 TIP3 H2 HT 0.417000 1.0080 0
+ 4728 WT1 2857 TIP3 OH2 OT -0.834000 15.9994 0
+ 4729 WT1 2857 TIP3 H1 HT 0.417000 1.0080 0
+ 4730 WT1 2857 TIP3 H2 HT 0.417000 1.0080 0
+ 4731 WT1 2859 TIP3 OH2 OT -0.834000 15.9994 0
+ 4732 WT1 2859 TIP3 H1 HT 0.417000 1.0080 0
+ 4733 WT1 2859 TIP3 H2 HT 0.417000 1.0080 0
+ 4734 WT1 2861 TIP3 OH2 OT -0.834000 15.9994 0
+ 4735 WT1 2861 TIP3 H1 HT 0.417000 1.0080 0
+ 4736 WT1 2861 TIP3 H2 HT 0.417000 1.0080 0
+ 4737 WT1 2865 TIP3 OH2 OT -0.834000 15.9994 0
+ 4738 WT1 2865 TIP3 H1 HT 0.417000 1.0080 0
+ 4739 WT1 2865 TIP3 H2 HT 0.417000 1.0080 0
+ 4740 WT1 2867 TIP3 OH2 OT -0.834000 15.9994 0
+ 4741 WT1 2867 TIP3 H1 HT 0.417000 1.0080 0
+ 4742 WT1 2867 TIP3 H2 HT 0.417000 1.0080 0
+ 4743 WT1 2869 TIP3 OH2 OT -0.834000 15.9994 0
+ 4744 WT1 2869 TIP3 H1 HT 0.417000 1.0080 0
+ 4745 WT1 2869 TIP3 H2 HT 0.417000 1.0080 0
+ 4746 WT1 2871 TIP3 OH2 OT -0.834000 15.9994 0
+ 4747 WT1 2871 TIP3 H1 HT 0.417000 1.0080 0
+ 4748 WT1 2871 TIP3 H2 HT 0.417000 1.0080 0
+ 4749 WT1 2874 TIP3 OH2 OT -0.834000 15.9994 0
+ 4750 WT1 2874 TIP3 H1 HT 0.417000 1.0080 0
+ 4751 WT1 2874 TIP3 H2 HT 0.417000 1.0080 0
+ 4752 WT1 2877 TIP3 OH2 OT -0.834000 15.9994 0
+ 4753 WT1 2877 TIP3 H1 HT 0.417000 1.0080 0
+ 4754 WT1 2877 TIP3 H2 HT 0.417000 1.0080 0
+ 4755 WT1 2878 TIP3 OH2 OT -0.834000 15.9994 0
+ 4756 WT1 2878 TIP3 H1 HT 0.417000 1.0080 0
+ 4757 WT1 2878 TIP3 H2 HT 0.417000 1.0080 0
+ 4758 WT1 2880 TIP3 OH2 OT -0.834000 15.9994 0
+ 4759 WT1 2880 TIP3 H1 HT 0.417000 1.0080 0
+ 4760 WT1 2880 TIP3 H2 HT 0.417000 1.0080 0
+ 4761 WT1 2882 TIP3 OH2 OT -0.834000 15.9994 0
+ 4762 WT1 2882 TIP3 H1 HT 0.417000 1.0080 0
+ 4763 WT1 2882 TIP3 H2 HT 0.417000 1.0080 0
+ 4764 WT1 2883 TIP3 OH2 OT -0.834000 15.9994 0
+ 4765 WT1 2883 TIP3 H1 HT 0.417000 1.0080 0
+ 4766 WT1 2883 TIP3 H2 HT 0.417000 1.0080 0
+ 4767 WT1 2884 TIP3 OH2 OT -0.834000 15.9994 0
+ 4768 WT1 2884 TIP3 H1 HT 0.417000 1.0080 0
+ 4769 WT1 2884 TIP3 H2 HT 0.417000 1.0080 0
+ 4770 WT1 2885 TIP3 OH2 OT -0.834000 15.9994 0
+ 4771 WT1 2885 TIP3 H1 HT 0.417000 1.0080 0
+ 4772 WT1 2885 TIP3 H2 HT 0.417000 1.0080 0
+ 4773 WT1 2887 TIP3 OH2 OT -0.834000 15.9994 0
+ 4774 WT1 2887 TIP3 H1 HT 0.417000 1.0080 0
+ 4775 WT1 2887 TIP3 H2 HT 0.417000 1.0080 0
+ 4776 WT1 2888 TIP3 OH2 OT -0.834000 15.9994 0
+ 4777 WT1 2888 TIP3 H1 HT 0.417000 1.0080 0
+ 4778 WT1 2888 TIP3 H2 HT 0.417000 1.0080 0
+ 4779 WT1 2890 TIP3 OH2 OT -0.834000 15.9994 0
+ 4780 WT1 2890 TIP3 H1 HT 0.417000 1.0080 0
+ 4781 WT1 2890 TIP3 H2 HT 0.417000 1.0080 0
+ 4782 WT1 2891 TIP3 OH2 OT -0.834000 15.9994 0
+ 4783 WT1 2891 TIP3 H1 HT 0.417000 1.0080 0
+ 4784 WT1 2891 TIP3 H2 HT 0.417000 1.0080 0
+ 4785 WT1 2893 TIP3 OH2 OT -0.834000 15.9994 0
+ 4786 WT1 2893 TIP3 H1 HT 0.417000 1.0080 0
+ 4787 WT1 2893 TIP3 H2 HT 0.417000 1.0080 0
+ 4788 WT1 2897 TIP3 OH2 OT -0.834000 15.9994 0
+ 4789 WT1 2897 TIP3 H1 HT 0.417000 1.0080 0
+ 4790 WT1 2897 TIP3 H2 HT 0.417000 1.0080 0
+ 4791 WT1 2899 TIP3 OH2 OT -0.834000 15.9994 0
+ 4792 WT1 2899 TIP3 H1 HT 0.417000 1.0080 0
+ 4793 WT1 2899 TIP3 H2 HT 0.417000 1.0080 0
+ 4794 WT1 2900 TIP3 OH2 OT -0.834000 15.9994 0
+ 4795 WT1 2900 TIP3 H1 HT 0.417000 1.0080 0
+ 4796 WT1 2900 TIP3 H2 HT 0.417000 1.0080 0
+ 4797 WT1 2901 TIP3 OH2 OT -0.834000 15.9994 0
+ 4798 WT1 2901 TIP3 H1 HT 0.417000 1.0080 0
+ 4799 WT1 2901 TIP3 H2 HT 0.417000 1.0080 0
+ 4800 WT1 2902 TIP3 OH2 OT -0.834000 15.9994 0
+ 4801 WT1 2902 TIP3 H1 HT 0.417000 1.0080 0
+ 4802 WT1 2902 TIP3 H2 HT 0.417000 1.0080 0
+ 4803 WT1 2903 TIP3 OH2 OT -0.834000 15.9994 0
+ 4804 WT1 2903 TIP3 H1 HT 0.417000 1.0080 0
+ 4805 WT1 2903 TIP3 H2 HT 0.417000 1.0080 0
+ 4806 WT1 2905 TIP3 OH2 OT -0.834000 15.9994 0
+ 4807 WT1 2905 TIP3 H1 HT 0.417000 1.0080 0
+ 4808 WT1 2905 TIP3 H2 HT 0.417000 1.0080 0
+ 4809 WT1 2906 TIP3 OH2 OT -0.834000 15.9994 0
+ 4810 WT1 2906 TIP3 H1 HT 0.417000 1.0080 0
+ 4811 WT1 2906 TIP3 H2 HT 0.417000 1.0080 0
+ 4812 WT1 2907 TIP3 OH2 OT -0.834000 15.9994 0
+ 4813 WT1 2907 TIP3 H1 HT 0.417000 1.0080 0
+ 4814 WT1 2907 TIP3 H2 HT 0.417000 1.0080 0
+ 4815 WT1 2908 TIP3 OH2 OT -0.834000 15.9994 0
+ 4816 WT1 2908 TIP3 H1 HT 0.417000 1.0080 0
+ 4817 WT1 2908 TIP3 H2 HT 0.417000 1.0080 0
+ 4818 WT1 2909 TIP3 OH2 OT -0.834000 15.9994 0
+ 4819 WT1 2909 TIP3 H1 HT 0.417000 1.0080 0
+ 4820 WT1 2909 TIP3 H2 HT 0.417000 1.0080 0
+ 4821 WT1 2911 TIP3 OH2 OT -0.834000 15.9994 0
+ 4822 WT1 2911 TIP3 H1 HT 0.417000 1.0080 0
+ 4823 WT1 2911 TIP3 H2 HT 0.417000 1.0080 0
+ 4824 WT1 2913 TIP3 OH2 OT -0.834000 15.9994 0
+ 4825 WT1 2913 TIP3 H1 HT 0.417000 1.0080 0
+ 4826 WT1 2913 TIP3 H2 HT 0.417000 1.0080 0
+ 4827 WT1 2915 TIP3 OH2 OT -0.834000 15.9994 0
+ 4828 WT1 2915 TIP3 H1 HT 0.417000 1.0080 0
+ 4829 WT1 2915 TIP3 H2 HT 0.417000 1.0080 0
+ 4830 WT1 2918 TIP3 OH2 OT -0.834000 15.9994 0
+ 4831 WT1 2918 TIP3 H1 HT 0.417000 1.0080 0
+ 4832 WT1 2918 TIP3 H2 HT 0.417000 1.0080 0
+ 4833 WT1 2919 TIP3 OH2 OT -0.834000 15.9994 0
+ 4834 WT1 2919 TIP3 H1 HT 0.417000 1.0080 0
+ 4835 WT1 2919 TIP3 H2 HT 0.417000 1.0080 0
+ 4836 WT1 2920 TIP3 OH2 OT -0.834000 15.9994 0
+ 4837 WT1 2920 TIP3 H1 HT 0.417000 1.0080 0
+ 4838 WT1 2920 TIP3 H2 HT 0.417000 1.0080 0
+ 4839 WT1 2922 TIP3 OH2 OT -0.834000 15.9994 0
+ 4840 WT1 2922 TIP3 H1 HT 0.417000 1.0080 0
+ 4841 WT1 2922 TIP3 H2 HT 0.417000 1.0080 0
+ 4842 WT1 2923 TIP3 OH2 OT -0.834000 15.9994 0
+ 4843 WT1 2923 TIP3 H1 HT 0.417000 1.0080 0
+ 4844 WT1 2923 TIP3 H2 HT 0.417000 1.0080 0
+ 4845 WT1 2924 TIP3 OH2 OT -0.834000 15.9994 0
+ 4846 WT1 2924 TIP3 H1 HT 0.417000 1.0080 0
+ 4847 WT1 2924 TIP3 H2 HT 0.417000 1.0080 0
+ 4848 WT1 2925 TIP3 OH2 OT -0.834000 15.9994 0
+ 4849 WT1 2925 TIP3 H1 HT 0.417000 1.0080 0
+ 4850 WT1 2925 TIP3 H2 HT 0.417000 1.0080 0
+ 4851 WT1 2926 TIP3 OH2 OT -0.834000 15.9994 0
+ 4852 WT1 2926 TIP3 H1 HT 0.417000 1.0080 0
+ 4853 WT1 2926 TIP3 H2 HT 0.417000 1.0080 0
+ 4854 WT1 2927 TIP3 OH2 OT -0.834000 15.9994 0
+ 4855 WT1 2927 TIP3 H1 HT 0.417000 1.0080 0
+ 4856 WT1 2927 TIP3 H2 HT 0.417000 1.0080 0
+ 4857 WT1 2928 TIP3 OH2 OT -0.834000 15.9994 0
+ 4858 WT1 2928 TIP3 H1 HT 0.417000 1.0080 0
+ 4859 WT1 2928 TIP3 H2 HT 0.417000 1.0080 0
+ 4860 WT1 2929 TIP3 OH2 OT -0.834000 15.9994 0
+ 4861 WT1 2929 TIP3 H1 HT 0.417000 1.0080 0
+ 4862 WT1 2929 TIP3 H2 HT 0.417000 1.0080 0
+ 4863 WT1 2930 TIP3 OH2 OT -0.834000 15.9994 0
+ 4864 WT1 2930 TIP3 H1 HT 0.417000 1.0080 0
+ 4865 WT1 2930 TIP3 H2 HT 0.417000 1.0080 0
+ 4866 WT1 2931 TIP3 OH2 OT -0.834000 15.9994 0
+ 4867 WT1 2931 TIP3 H1 HT 0.417000 1.0080 0
+ 4868 WT1 2931 TIP3 H2 HT 0.417000 1.0080 0
+ 4869 WT1 2932 TIP3 OH2 OT -0.834000 15.9994 0
+ 4870 WT1 2932 TIP3 H1 HT 0.417000 1.0080 0
+ 4871 WT1 2932 TIP3 H2 HT 0.417000 1.0080 0
+ 4872 WT1 2933 TIP3 OH2 OT -0.834000 15.9994 0
+ 4873 WT1 2933 TIP3 H1 HT 0.417000 1.0080 0
+ 4874 WT1 2933 TIP3 H2 HT 0.417000 1.0080 0
+ 4875 WT1 2934 TIP3 OH2 OT -0.834000 15.9994 0
+ 4876 WT1 2934 TIP3 H1 HT 0.417000 1.0080 0
+ 4877 WT1 2934 TIP3 H2 HT 0.417000 1.0080 0
+ 4878 WT1 2938 TIP3 OH2 OT -0.834000 15.9994 0
+ 4879 WT1 2938 TIP3 H1 HT 0.417000 1.0080 0
+ 4880 WT1 2938 TIP3 H2 HT 0.417000 1.0080 0
+ 4881 WT1 2941 TIP3 OH2 OT -0.834000 15.9994 0
+ 4882 WT1 2941 TIP3 H1 HT 0.417000 1.0080 0
+ 4883 WT1 2941 TIP3 H2 HT 0.417000 1.0080 0
+ 4884 WT1 2943 TIP3 OH2 OT -0.834000 15.9994 0
+ 4885 WT1 2943 TIP3 H1 HT 0.417000 1.0080 0
+ 4886 WT1 2943 TIP3 H2 HT 0.417000 1.0080 0
+ 4887 WT1 2944 TIP3 OH2 OT -0.834000 15.9994 0
+ 4888 WT1 2944 TIP3 H1 HT 0.417000 1.0080 0
+ 4889 WT1 2944 TIP3 H2 HT 0.417000 1.0080 0
+ 4890 WT1 2945 TIP3 OH2 OT -0.834000 15.9994 0
+ 4891 WT1 2945 TIP3 H1 HT 0.417000 1.0080 0
+ 4892 WT1 2945 TIP3 H2 HT 0.417000 1.0080 0
+ 4893 WT1 2946 TIP3 OH2 OT -0.834000 15.9994 0
+ 4894 WT1 2946 TIP3 H1 HT 0.417000 1.0080 0
+ 4895 WT1 2946 TIP3 H2 HT 0.417000 1.0080 0
+ 4896 WT1 2947 TIP3 OH2 OT -0.834000 15.9994 0
+ 4897 WT1 2947 TIP3 H1 HT 0.417000 1.0080 0
+ 4898 WT1 2947 TIP3 H2 HT 0.417000 1.0080 0
+ 4899 WT1 2948 TIP3 OH2 OT -0.834000 15.9994 0
+ 4900 WT1 2948 TIP3 H1 HT 0.417000 1.0080 0
+ 4901 WT1 2948 TIP3 H2 HT 0.417000 1.0080 0
+ 4902 WT1 2949 TIP3 OH2 OT -0.834000 15.9994 0
+ 4903 WT1 2949 TIP3 H1 HT 0.417000 1.0080 0
+ 4904 WT1 2949 TIP3 H2 HT 0.417000 1.0080 0
+ 4905 WT1 2952 TIP3 OH2 OT -0.834000 15.9994 0
+ 4906 WT1 2952 TIP3 H1 HT 0.417000 1.0080 0
+ 4907 WT1 2952 TIP3 H2 HT 0.417000 1.0080 0
+ 4908 WT1 2953 TIP3 OH2 OT -0.834000 15.9994 0
+ 4909 WT1 2953 TIP3 H1 HT 0.417000 1.0080 0
+ 4910 WT1 2953 TIP3 H2 HT 0.417000 1.0080 0
+ 4911 WT1 2955 TIP3 OH2 OT -0.834000 15.9994 0
+ 4912 WT1 2955 TIP3 H1 HT 0.417000 1.0080 0
+ 4913 WT1 2955 TIP3 H2 HT 0.417000 1.0080 0
+ 4914 WT1 2960 TIP3 OH2 OT -0.834000 15.9994 0
+ 4915 WT1 2960 TIP3 H1 HT 0.417000 1.0080 0
+ 4916 WT1 2960 TIP3 H2 HT 0.417000 1.0080 0
+ 4917 WT1 2961 TIP3 OH2 OT -0.834000 15.9994 0
+ 4918 WT1 2961 TIP3 H1 HT 0.417000 1.0080 0
+ 4919 WT1 2961 TIP3 H2 HT 0.417000 1.0080 0
+ 4920 WT1 2963 TIP3 OH2 OT -0.834000 15.9994 0
+ 4921 WT1 2963 TIP3 H1 HT 0.417000 1.0080 0
+ 4922 WT1 2963 TIP3 H2 HT 0.417000 1.0080 0
+ 4923 WT1 2964 TIP3 OH2 OT -0.834000 15.9994 0
+ 4924 WT1 2964 TIP3 H1 HT 0.417000 1.0080 0
+ 4925 WT1 2964 TIP3 H2 HT 0.417000 1.0080 0
+ 4926 WT1 2965 TIP3 OH2 OT -0.834000 15.9994 0
+ 4927 WT1 2965 TIP3 H1 HT 0.417000 1.0080 0
+ 4928 WT1 2965 TIP3 H2 HT 0.417000 1.0080 0
+ 4929 WT1 2966 TIP3 OH2 OT -0.834000 15.9994 0
+ 4930 WT1 2966 TIP3 H1 HT 0.417000 1.0080 0
+ 4931 WT1 2966 TIP3 H2 HT 0.417000 1.0080 0
+ 4932 WT1 2967 TIP3 OH2 OT -0.834000 15.9994 0
+ 4933 WT1 2967 TIP3 H1 HT 0.417000 1.0080 0
+ 4934 WT1 2967 TIP3 H2 HT 0.417000 1.0080 0
+ 4935 WT1 2969 TIP3 OH2 OT -0.834000 15.9994 0
+ 4936 WT1 2969 TIP3 H1 HT 0.417000 1.0080 0
+ 4937 WT1 2969 TIP3 H2 HT 0.417000 1.0080 0
+ 4938 WT1 2970 TIP3 OH2 OT -0.834000 15.9994 0
+ 4939 WT1 2970 TIP3 H1 HT 0.417000 1.0080 0
+ 4940 WT1 2970 TIP3 H2 HT 0.417000 1.0080 0
+ 4941 WT1 2973 TIP3 OH2 OT -0.834000 15.9994 0
+ 4942 WT1 2973 TIP3 H1 HT 0.417000 1.0080 0
+ 4943 WT1 2973 TIP3 H2 HT 0.417000 1.0080 0
+ 4944 WT1 2975 TIP3 OH2 OT -0.834000 15.9994 0
+ 4945 WT1 2975 TIP3 H1 HT 0.417000 1.0080 0
+ 4946 WT1 2975 TIP3 H2 HT 0.417000 1.0080 0
+ 4947 WT1 2978 TIP3 OH2 OT -0.834000 15.9994 0
+ 4948 WT1 2978 TIP3 H1 HT 0.417000 1.0080 0
+ 4949 WT1 2978 TIP3 H2 HT 0.417000 1.0080 0
+ 4950 WT1 2979 TIP3 OH2 OT -0.834000 15.9994 0
+ 4951 WT1 2979 TIP3 H1 HT 0.417000 1.0080 0
+ 4952 WT1 2979 TIP3 H2 HT 0.417000 1.0080 0
+ 4953 WT1 2981 TIP3 OH2 OT -0.834000 15.9994 0
+ 4954 WT1 2981 TIP3 H1 HT 0.417000 1.0080 0
+ 4955 WT1 2981 TIP3 H2 HT 0.417000 1.0080 0
+ 4956 WT1 2983 TIP3 OH2 OT -0.834000 15.9994 0
+ 4957 WT1 2983 TIP3 H1 HT 0.417000 1.0080 0
+ 4958 WT1 2983 TIP3 H2 HT 0.417000 1.0080 0
+ 4959 WT1 2984 TIP3 OH2 OT -0.834000 15.9994 0
+ 4960 WT1 2984 TIP3 H1 HT 0.417000 1.0080 0
+ 4961 WT1 2984 TIP3 H2 HT 0.417000 1.0080 0
+ 4962 WT1 2986 TIP3 OH2 OT -0.834000 15.9994 0
+ 4963 WT1 2986 TIP3 H1 HT 0.417000 1.0080 0
+ 4964 WT1 2986 TIP3 H2 HT 0.417000 1.0080 0
+ 4965 WT1 2987 TIP3 OH2 OT -0.834000 15.9994 0
+ 4966 WT1 2987 TIP3 H1 HT 0.417000 1.0080 0
+ 4967 WT1 2987 TIP3 H2 HT 0.417000 1.0080 0
+ 4968 WT1 2989 TIP3 OH2 OT -0.834000 15.9994 0
+ 4969 WT1 2989 TIP3 H1 HT 0.417000 1.0080 0
+ 4970 WT1 2989 TIP3 H2 HT 0.417000 1.0080 0
+ 4971 WT1 2990 TIP3 OH2 OT -0.834000 15.9994 0
+ 4972 WT1 2990 TIP3 H1 HT 0.417000 1.0080 0
+ 4973 WT1 2990 TIP3 H2 HT 0.417000 1.0080 0
+ 4974 WT1 2991 TIP3 OH2 OT -0.834000 15.9994 0
+ 4975 WT1 2991 TIP3 H1 HT 0.417000 1.0080 0
+ 4976 WT1 2991 TIP3 H2 HT 0.417000 1.0080 0
+ 4977 WT1 2992 TIP3 OH2 OT -0.834000 15.9994 0
+ 4978 WT1 2992 TIP3 H1 HT 0.417000 1.0080 0
+ 4979 WT1 2992 TIP3 H2 HT 0.417000 1.0080 0
+ 4980 WT1 2993 TIP3 OH2 OT -0.834000 15.9994 0
+ 4981 WT1 2993 TIP3 H1 HT 0.417000 1.0080 0
+ 4982 WT1 2993 TIP3 H2 HT 0.417000 1.0080 0
+ 4983 WT1 2994 TIP3 OH2 OT -0.834000 15.9994 0
+ 4984 WT1 2994 TIP3 H1 HT 0.417000 1.0080 0
+ 4985 WT1 2994 TIP3 H2 HT 0.417000 1.0080 0
+ 4986 WT1 2996 TIP3 OH2 OT -0.834000 15.9994 0
+ 4987 WT1 2996 TIP3 H1 HT 0.417000 1.0080 0
+ 4988 WT1 2996 TIP3 H2 HT 0.417000 1.0080 0
+ 4989 WT1 3002 TIP3 OH2 OT -0.834000 15.9994 0
+ 4990 WT1 3002 TIP3 H1 HT 0.417000 1.0080 0
+ 4991 WT1 3002 TIP3 H2 HT 0.417000 1.0080 0
+ 4992 WT1 3007 TIP3 OH2 OT -0.834000 15.9994 0
+ 4993 WT1 3007 TIP3 H1 HT 0.417000 1.0080 0
+ 4994 WT1 3007 TIP3 H2 HT 0.417000 1.0080 0
+ 4995 WT1 3008 TIP3 OH2 OT -0.834000 15.9994 0
+ 4996 WT1 3008 TIP3 H1 HT 0.417000 1.0080 0
+ 4997 WT1 3008 TIP3 H2 HT 0.417000 1.0080 0
+ 4998 WT1 3009 TIP3 OH2 OT -0.834000 15.9994 0
+ 4999 WT1 3009 TIP3 H1 HT 0.417000 1.0080 0
+ 5000 WT1 3009 TIP3 H2 HT 0.417000 1.0080 0
+ 5001 WT1 3010 TIP3 OH2 OT -0.834000 15.9994 0
+ 5002 WT1 3010 TIP3 H1 HT 0.417000 1.0080 0
+ 5003 WT1 3010 TIP3 H2 HT 0.417000 1.0080 0
+ 5004 WT1 3012 TIP3 OH2 OT -0.834000 15.9994 0
+ 5005 WT1 3012 TIP3 H1 HT 0.417000 1.0080 0
+ 5006 WT1 3012 TIP3 H2 HT 0.417000 1.0080 0
+ 5007 WT1 3013 TIP3 OH2 OT -0.834000 15.9994 0
+ 5008 WT1 3013 TIP3 H1 HT 0.417000 1.0080 0
+ 5009 WT1 3013 TIP3 H2 HT 0.417000 1.0080 0
+ 5010 WT1 3015 TIP3 OH2 OT -0.834000 15.9994 0
+ 5011 WT1 3015 TIP3 H1 HT 0.417000 1.0080 0
+ 5012 WT1 3015 TIP3 H2 HT 0.417000 1.0080 0
+ 5013 WT1 3016 TIP3 OH2 OT -0.834000 15.9994 0
+ 5014 WT1 3016 TIP3 H1 HT 0.417000 1.0080 0
+ 5015 WT1 3016 TIP3 H2 HT 0.417000 1.0080 0
+ 5016 WT1 3017 TIP3 OH2 OT -0.834000 15.9994 0
+ 5017 WT1 3017 TIP3 H1 HT 0.417000 1.0080 0
+ 5018 WT1 3017 TIP3 H2 HT 0.417000 1.0080 0
+ 5019 WT1 3018 TIP3 OH2 OT -0.834000 15.9994 0
+ 5020 WT1 3018 TIP3 H1 HT 0.417000 1.0080 0
+ 5021 WT1 3018 TIP3 H2 HT 0.417000 1.0080 0
+ 5022 WT1 3019 TIP3 OH2 OT -0.834000 15.9994 0
+ 5023 WT1 3019 TIP3 H1 HT 0.417000 1.0080 0
+ 5024 WT1 3019 TIP3 H2 HT 0.417000 1.0080 0
+ 5025 WT1 3022 TIP3 OH2 OT -0.834000 15.9994 0
+ 5026 WT1 3022 TIP3 H1 HT 0.417000 1.0080 0
+ 5027 WT1 3022 TIP3 H2 HT 0.417000 1.0080 0
+ 5028 WT1 3027 TIP3 OH2 OT -0.834000 15.9994 0
+ 5029 WT1 3027 TIP3 H1 HT 0.417000 1.0080 0
+ 5030 WT1 3027 TIP3 H2 HT 0.417000 1.0080 0
+ 5031 WT1 3028 TIP3 OH2 OT -0.834000 15.9994 0
+ 5032 WT1 3028 TIP3 H1 HT 0.417000 1.0080 0
+ 5033 WT1 3028 TIP3 H2 HT 0.417000 1.0080 0
+ 5034 WT1 3029 TIP3 OH2 OT -0.834000 15.9994 0
+ 5035 WT1 3029 TIP3 H1 HT 0.417000 1.0080 0
+ 5036 WT1 3029 TIP3 H2 HT 0.417000 1.0080 0
+ 5037 WT1 3030 TIP3 OH2 OT -0.834000 15.9994 0
+ 5038 WT1 3030 TIP3 H1 HT 0.417000 1.0080 0
+ 5039 WT1 3030 TIP3 H2 HT 0.417000 1.0080 0
+ 5040 WT1 3031 TIP3 OH2 OT -0.834000 15.9994 0
+ 5041 WT1 3031 TIP3 H1 HT 0.417000 1.0080 0
+ 5042 WT1 3031 TIP3 H2 HT 0.417000 1.0080 0
+ 5043 WT1 3032 TIP3 OH2 OT -0.834000 15.9994 0
+ 5044 WT1 3032 TIP3 H1 HT 0.417000 1.0080 0
+ 5045 WT1 3032 TIP3 H2 HT 0.417000 1.0080 0
+ 5046 WT1 3033 TIP3 OH2 OT -0.834000 15.9994 0
+ 5047 WT1 3033 TIP3 H1 HT 0.417000 1.0080 0
+ 5048 WT1 3033 TIP3 H2 HT 0.417000 1.0080 0
+ 5049 WT1 3034 TIP3 OH2 OT -0.834000 15.9994 0
+ 5050 WT1 3034 TIP3 H1 HT 0.417000 1.0080 0
+ 5051 WT1 3034 TIP3 H2 HT 0.417000 1.0080 0
+ 5052 WT1 3037 TIP3 OH2 OT -0.834000 15.9994 0
+ 5053 WT1 3037 TIP3 H1 HT 0.417000 1.0080 0
+ 5054 WT1 3037 TIP3 H2 HT 0.417000 1.0080 0
+ 5055 WT1 3040 TIP3 OH2 OT -0.834000 15.9994 0
+ 5056 WT1 3040 TIP3 H1 HT 0.417000 1.0080 0
+ 5057 WT1 3040 TIP3 H2 HT 0.417000 1.0080 0
+ 5058 WT1 3046 TIP3 OH2 OT -0.834000 15.9994 0
+ 5059 WT1 3046 TIP3 H1 HT 0.417000 1.0080 0
+ 5060 WT1 3046 TIP3 H2 HT 0.417000 1.0080 0
+ 5061 WT1 3048 TIP3 OH2 OT -0.834000 15.9994 0
+ 5062 WT1 3048 TIP3 H1 HT 0.417000 1.0080 0
+ 5063 WT1 3048 TIP3 H2 HT 0.417000 1.0080 0
+ 5064 WT1 3049 TIP3 OH2 OT -0.834000 15.9994 0
+ 5065 WT1 3049 TIP3 H1 HT 0.417000 1.0080 0
+ 5066 WT1 3049 TIP3 H2 HT 0.417000 1.0080 0
+ 5067 WT1 3050 TIP3 OH2 OT -0.834000 15.9994 0
+ 5068 WT1 3050 TIP3 H1 HT 0.417000 1.0080 0
+ 5069 WT1 3050 TIP3 H2 HT 0.417000 1.0080 0
+ 5070 WT1 3051 TIP3 OH2 OT -0.834000 15.9994 0
+ 5071 WT1 3051 TIP3 H1 HT 0.417000 1.0080 0
+ 5072 WT1 3051 TIP3 H2 HT 0.417000 1.0080 0
+ 5073 WT1 3052 TIP3 OH2 OT -0.834000 15.9994 0
+ 5074 WT1 3052 TIP3 H1 HT 0.417000 1.0080 0
+ 5075 WT1 3052 TIP3 H2 HT 0.417000 1.0080 0
+ 5076 WT1 3053 TIP3 OH2 OT -0.834000 15.9994 0
+ 5077 WT1 3053 TIP3 H1 HT 0.417000 1.0080 0
+ 5078 WT1 3053 TIP3 H2 HT 0.417000 1.0080 0
+ 5079 WT1 3054 TIP3 OH2 OT -0.834000 15.9994 0
+ 5080 WT1 3054 TIP3 H1 HT 0.417000 1.0080 0
+ 5081 WT1 3054 TIP3 H2 HT 0.417000 1.0080 0
+ 5082 WT1 3056 TIP3 OH2 OT -0.834000 15.9994 0
+ 5083 WT1 3056 TIP3 H1 HT 0.417000 1.0080 0
+ 5084 WT1 3056 TIP3 H2 HT 0.417000 1.0080 0
+ 5085 WT1 3057 TIP3 OH2 OT -0.834000 15.9994 0
+ 5086 WT1 3057 TIP3 H1 HT 0.417000 1.0080 0
+ 5087 WT1 3057 TIP3 H2 HT 0.417000 1.0080 0
+ 5088 WT1 3067 TIP3 OH2 OT -0.834000 15.9994 0
+ 5089 WT1 3067 TIP3 H1 HT 0.417000 1.0080 0
+ 5090 WT1 3067 TIP3 H2 HT 0.417000 1.0080 0
+ 5091 WT1 3069 TIP3 OH2 OT -0.834000 15.9994 0
+ 5092 WT1 3069 TIP3 H1 HT 0.417000 1.0080 0
+ 5093 WT1 3069 TIP3 H2 HT 0.417000 1.0080 0
+ 5094 WT1 3071 TIP3 OH2 OT -0.834000 15.9994 0
+ 5095 WT1 3071 TIP3 H1 HT 0.417000 1.0080 0
+ 5096 WT1 3071 TIP3 H2 HT 0.417000 1.0080 0
+ 5097 WT1 3072 TIP3 OH2 OT -0.834000 15.9994 0
+ 5098 WT1 3072 TIP3 H1 HT 0.417000 1.0080 0
+ 5099 WT1 3072 TIP3 H2 HT 0.417000 1.0080 0
+ 5100 WT1 3073 TIP3 OH2 OT -0.834000 15.9994 0
+ 5101 WT1 3073 TIP3 H1 HT 0.417000 1.0080 0
+ 5102 WT1 3073 TIP3 H2 HT 0.417000 1.0080 0
+ 5103 WT1 3074 TIP3 OH2 OT -0.834000 15.9994 0
+ 5104 WT1 3074 TIP3 H1 HT 0.417000 1.0080 0
+ 5105 WT1 3074 TIP3 H2 HT 0.417000 1.0080 0
+ 5106 WT1 3075 TIP3 OH2 OT -0.834000 15.9994 0
+ 5107 WT1 3075 TIP3 H1 HT 0.417000 1.0080 0
+ 5108 WT1 3075 TIP3 H2 HT 0.417000 1.0080 0
+ 5109 WT1 3076 TIP3 OH2 OT -0.834000 15.9994 0
+ 5110 WT1 3076 TIP3 H1 HT 0.417000 1.0080 0
+ 5111 WT1 3076 TIP3 H2 HT 0.417000 1.0080 0
+ 5112 WT1 3079 TIP3 OH2 OT -0.834000 15.9994 0
+ 5113 WT1 3079 TIP3 H1 HT 0.417000 1.0080 0
+ 5114 WT1 3079 TIP3 H2 HT 0.417000 1.0080 0
+ 5115 WT1 3080 TIP3 OH2 OT -0.834000 15.9994 0
+ 5116 WT1 3080 TIP3 H1 HT 0.417000 1.0080 0
+ 5117 WT1 3080 TIP3 H2 HT 0.417000 1.0080 0
+ 5118 WT1 3081 TIP3 OH2 OT -0.834000 15.9994 0
+ 5119 WT1 3081 TIP3 H1 HT 0.417000 1.0080 0
+ 5120 WT1 3081 TIP3 H2 HT 0.417000 1.0080 0
+ 5121 WT1 3085 TIP3 OH2 OT -0.834000 15.9994 0
+ 5122 WT1 3085 TIP3 H1 HT 0.417000 1.0080 0
+ 5123 WT1 3085 TIP3 H2 HT 0.417000 1.0080 0
+ 5124 WT1 3086 TIP3 OH2 OT -0.834000 15.9994 0
+ 5125 WT1 3086 TIP3 H1 HT 0.417000 1.0080 0
+ 5126 WT1 3086 TIP3 H2 HT 0.417000 1.0080 0
+ 5127 WT1 3087 TIP3 OH2 OT -0.834000 15.9994 0
+ 5128 WT1 3087 TIP3 H1 HT 0.417000 1.0080 0
+ 5129 WT1 3087 TIP3 H2 HT 0.417000 1.0080 0
+ 5130 WT1 3088 TIP3 OH2 OT -0.834000 15.9994 0
+ 5131 WT1 3088 TIP3 H1 HT 0.417000 1.0080 0
+ 5132 WT1 3088 TIP3 H2 HT 0.417000 1.0080 0
+ 5133 WT1 3091 TIP3 OH2 OT -0.834000 15.9994 0
+ 5134 WT1 3091 TIP3 H1 HT 0.417000 1.0080 0
+ 5135 WT1 3091 TIP3 H2 HT 0.417000 1.0080 0
+ 5136 WT1 3092 TIP3 OH2 OT -0.834000 15.9994 0
+ 5137 WT1 3092 TIP3 H1 HT 0.417000 1.0080 0
+ 5138 WT1 3092 TIP3 H2 HT 0.417000 1.0080 0
+ 5139 WT1 3094 TIP3 OH2 OT -0.834000 15.9994 0
+ 5140 WT1 3094 TIP3 H1 HT 0.417000 1.0080 0
+ 5141 WT1 3094 TIP3 H2 HT 0.417000 1.0080 0
+ 5142 WT1 3095 TIP3 OH2 OT -0.834000 15.9994 0
+ 5143 WT1 3095 TIP3 H1 HT 0.417000 1.0080 0
+ 5144 WT1 3095 TIP3 H2 HT 0.417000 1.0080 0
+ 5145 WT1 3096 TIP3 OH2 OT -0.834000 15.9994 0
+ 5146 WT1 3096 TIP3 H1 HT 0.417000 1.0080 0
+ 5147 WT1 3096 TIP3 H2 HT 0.417000 1.0080 0
+ 5148 WT1 3097 TIP3 OH2 OT -0.834000 15.9994 0
+ 5149 WT1 3097 TIP3 H1 HT 0.417000 1.0080 0
+ 5150 WT1 3097 TIP3 H2 HT 0.417000 1.0080 0
+ 5151 WT1 3098 TIP3 OH2 OT -0.834000 15.9994 0
+ 5152 WT1 3098 TIP3 H1 HT 0.417000 1.0080 0
+ 5153 WT1 3098 TIP3 H2 HT 0.417000 1.0080 0
+ 5154 WT1 3100 TIP3 OH2 OT -0.834000 15.9994 0
+ 5155 WT1 3100 TIP3 H1 HT 0.417000 1.0080 0
+ 5156 WT1 3100 TIP3 H2 HT 0.417000 1.0080 0
+ 5157 WT1 3102 TIP3 OH2 OT -0.834000 15.9994 0
+ 5158 WT1 3102 TIP3 H1 HT 0.417000 1.0080 0
+ 5159 WT1 3102 TIP3 H2 HT 0.417000 1.0080 0
+ 5160 WT1 3104 TIP3 OH2 OT -0.834000 15.9994 0
+ 5161 WT1 3104 TIP3 H1 HT 0.417000 1.0080 0
+ 5162 WT1 3104 TIP3 H2 HT 0.417000 1.0080 0
+ 5163 WT1 3108 TIP3 OH2 OT -0.834000 15.9994 0
+ 5164 WT1 3108 TIP3 H1 HT 0.417000 1.0080 0
+ 5165 WT1 3108 TIP3 H2 HT 0.417000 1.0080 0
+ 5166 WT1 3109 TIP3 OH2 OT -0.834000 15.9994 0
+ 5167 WT1 3109 TIP3 H1 HT 0.417000 1.0080 0
+ 5168 WT1 3109 TIP3 H2 HT 0.417000 1.0080 0
+ 5169 WT1 3110 TIP3 OH2 OT -0.834000 15.9994 0
+ 5170 WT1 3110 TIP3 H1 HT 0.417000 1.0080 0
+ 5171 WT1 3110 TIP3 H2 HT 0.417000 1.0080 0
+ 5172 WT1 3111 TIP3 OH2 OT -0.834000 15.9994 0
+ 5173 WT1 3111 TIP3 H1 HT 0.417000 1.0080 0
+ 5174 WT1 3111 TIP3 H2 HT 0.417000 1.0080 0
+ 5175 WT1 3112 TIP3 OH2 OT -0.834000 15.9994 0
+ 5176 WT1 3112 TIP3 H1 HT 0.417000 1.0080 0
+ 5177 WT1 3112 TIP3 H2 HT 0.417000 1.0080 0
+ 5178 WT1 3113 TIP3 OH2 OT -0.834000 15.9994 0
+ 5179 WT1 3113 TIP3 H1 HT 0.417000 1.0080 0
+ 5180 WT1 3113 TIP3 H2 HT 0.417000 1.0080 0
+ 5181 WT1 3114 TIP3 OH2 OT -0.834000 15.9994 0
+ 5182 WT1 3114 TIP3 H1 HT 0.417000 1.0080 0
+ 5183 WT1 3114 TIP3 H2 HT 0.417000 1.0080 0
+ 5184 WT1 3115 TIP3 OH2 OT -0.834000 15.9994 0
+ 5185 WT1 3115 TIP3 H1 HT 0.417000 1.0080 0
+ 5186 WT1 3115 TIP3 H2 HT 0.417000 1.0080 0
+ 5187 WT1 3116 TIP3 OH2 OT -0.834000 15.9994 0
+ 5188 WT1 3116 TIP3 H1 HT 0.417000 1.0080 0
+ 5189 WT1 3116 TIP3 H2 HT 0.417000 1.0080 0
+ 5190 WT1 3118 TIP3 OH2 OT -0.834000 15.9994 0
+ 5191 WT1 3118 TIP3 H1 HT 0.417000 1.0080 0
+ 5192 WT1 3118 TIP3 H2 HT 0.417000 1.0080 0
+ 5193 WT1 3119 TIP3 OH2 OT -0.834000 15.9994 0
+ 5194 WT1 3119 TIP3 H1 HT 0.417000 1.0080 0
+ 5195 WT1 3119 TIP3 H2 HT 0.417000 1.0080 0
+ 5196 WT1 3120 TIP3 OH2 OT -0.834000 15.9994 0
+ 5197 WT1 3120 TIP3 H1 HT 0.417000 1.0080 0
+ 5198 WT1 3120 TIP3 H2 HT 0.417000 1.0080 0
+ 5199 WT1 3121 TIP3 OH2 OT -0.834000 15.9994 0
+ 5200 WT1 3121 TIP3 H1 HT 0.417000 1.0080 0
+ 5201 WT1 3121 TIP3 H2 HT 0.417000 1.0080 0
+ 5202 WT1 3122 TIP3 OH2 OT -0.834000 15.9994 0
+ 5203 WT1 3122 TIP3 H1 HT 0.417000 1.0080 0
+ 5204 WT1 3122 TIP3 H2 HT 0.417000 1.0080 0
+ 5205 WT1 3128 TIP3 OH2 OT -0.834000 15.9994 0
+ 5206 WT1 3128 TIP3 H1 HT 0.417000 1.0080 0
+ 5207 WT1 3128 TIP3 H2 HT 0.417000 1.0080 0
+ 5208 WT1 3129 TIP3 OH2 OT -0.834000 15.9994 0
+ 5209 WT1 3129 TIP3 H1 HT 0.417000 1.0080 0
+ 5210 WT1 3129 TIP3 H2 HT 0.417000 1.0080 0
+ 5211 WT1 3131 TIP3 OH2 OT -0.834000 15.9994 0
+ 5212 WT1 3131 TIP3 H1 HT 0.417000 1.0080 0
+ 5213 WT1 3131 TIP3 H2 HT 0.417000 1.0080 0
+ 5214 WT1 3134 TIP3 OH2 OT -0.834000 15.9994 0
+ 5215 WT1 3134 TIP3 H1 HT 0.417000 1.0080 0
+ 5216 WT1 3134 TIP3 H2 HT 0.417000 1.0080 0
+ 5217 WT1 3136 TIP3 OH2 OT -0.834000 15.9994 0
+ 5218 WT1 3136 TIP3 H1 HT 0.417000 1.0080 0
+ 5219 WT1 3136 TIP3 H2 HT 0.417000 1.0080 0
+ 5220 WT1 3137 TIP3 OH2 OT -0.834000 15.9994 0
+ 5221 WT1 3137 TIP3 H1 HT 0.417000 1.0080 0
+ 5222 WT1 3137 TIP3 H2 HT 0.417000 1.0080 0
+ 5223 WT1 3138 TIP3 OH2 OT -0.834000 15.9994 0
+ 5224 WT1 3138 TIP3 H1 HT 0.417000 1.0080 0
+ 5225 WT1 3138 TIP3 H2 HT 0.417000 1.0080 0
+ 5226 WT1 3139 TIP3 OH2 OT -0.834000 15.9994 0
+ 5227 WT1 3139 TIP3 H1 HT 0.417000 1.0080 0
+ 5228 WT1 3139 TIP3 H2 HT 0.417000 1.0080 0
+ 5229 WT1 3140 TIP3 OH2 OT -0.834000 15.9994 0
+ 5230 WT1 3140 TIP3 H1 HT 0.417000 1.0080 0
+ 5231 WT1 3140 TIP3 H2 HT 0.417000 1.0080 0
+ 5232 WT1 3142 TIP3 OH2 OT -0.834000 15.9994 0
+ 5233 WT1 3142 TIP3 H1 HT 0.417000 1.0080 0
+ 5234 WT1 3142 TIP3 H2 HT 0.417000 1.0080 0
+ 5235 WT1 3143 TIP3 OH2 OT -0.834000 15.9994 0
+ 5236 WT1 3143 TIP3 H1 HT 0.417000 1.0080 0
+ 5237 WT1 3143 TIP3 H2 HT 0.417000 1.0080 0
+ 5238 WT1 3145 TIP3 OH2 OT -0.834000 15.9994 0
+ 5239 WT1 3145 TIP3 H1 HT 0.417000 1.0080 0
+ 5240 WT1 3145 TIP3 H2 HT 0.417000 1.0080 0
+ 5241 WT1 3150 TIP3 OH2 OT -0.834000 15.9994 0
+ 5242 WT1 3150 TIP3 H1 HT 0.417000 1.0080 0
+ 5243 WT1 3150 TIP3 H2 HT 0.417000 1.0080 0
+ 5244 WT1 3152 TIP3 OH2 OT -0.834000 15.9994 0
+ 5245 WT1 3152 TIP3 H1 HT 0.417000 1.0080 0
+ 5246 WT1 3152 TIP3 H2 HT 0.417000 1.0080 0
+ 5247 WT1 3153 TIP3 OH2 OT -0.834000 15.9994 0
+ 5248 WT1 3153 TIP3 H1 HT 0.417000 1.0080 0
+ 5249 WT1 3153 TIP3 H2 HT 0.417000 1.0080 0
+ 5250 WT1 3154 TIP3 OH2 OT -0.834000 15.9994 0
+ 5251 WT1 3154 TIP3 H1 HT 0.417000 1.0080 0
+ 5252 WT1 3154 TIP3 H2 HT 0.417000 1.0080 0
+ 5253 WT1 3157 TIP3 OH2 OT -0.834000 15.9994 0
+ 5254 WT1 3157 TIP3 H1 HT 0.417000 1.0080 0
+ 5255 WT1 3157 TIP3 H2 HT 0.417000 1.0080 0
+ 5256 WT1 3159 TIP3 OH2 OT -0.834000 15.9994 0
+ 5257 WT1 3159 TIP3 H1 HT 0.417000 1.0080 0
+ 5258 WT1 3159 TIP3 H2 HT 0.417000 1.0080 0
+ 5259 WT1 3160 TIP3 OH2 OT -0.834000 15.9994 0
+ 5260 WT1 3160 TIP3 H1 HT 0.417000 1.0080 0
+ 5261 WT1 3160 TIP3 H2 HT 0.417000 1.0080 0
+ 5262 WT1 3161 TIP3 OH2 OT -0.834000 15.9994 0
+ 5263 WT1 3161 TIP3 H1 HT 0.417000 1.0080 0
+ 5264 WT1 3161 TIP3 H2 HT 0.417000 1.0080 0
+ 5265 WT1 3164 TIP3 OH2 OT -0.834000 15.9994 0
+ 5266 WT1 3164 TIP3 H1 HT 0.417000 1.0080 0
+ 5267 WT1 3164 TIP3 H2 HT 0.417000 1.0080 0
+ 5268 WT1 3167 TIP3 OH2 OT -0.834000 15.9994 0
+ 5269 WT1 3167 TIP3 H1 HT 0.417000 1.0080 0
+ 5270 WT1 3167 TIP3 H2 HT 0.417000 1.0080 0
+ 5271 WT1 3172 TIP3 OH2 OT -0.834000 15.9994 0
+ 5272 WT1 3172 TIP3 H1 HT 0.417000 1.0080 0
+ 5273 WT1 3172 TIP3 H2 HT 0.417000 1.0080 0
+ 5274 WT1 3173 TIP3 OH2 OT -0.834000 15.9994 0
+ 5275 WT1 3173 TIP3 H1 HT 0.417000 1.0080 0
+ 5276 WT1 3173 TIP3 H2 HT 0.417000 1.0080 0
+ 5277 WT1 3174 TIP3 OH2 OT -0.834000 15.9994 0
+ 5278 WT1 3174 TIP3 H1 HT 0.417000 1.0080 0
+ 5279 WT1 3174 TIP3 H2 HT 0.417000 1.0080 0
+ 5280 WT1 3175 TIP3 OH2 OT -0.834000 15.9994 0
+ 5281 WT1 3175 TIP3 H1 HT 0.417000 1.0080 0
+ 5282 WT1 3175 TIP3 H2 HT 0.417000 1.0080 0
+ 5283 WT1 3176 TIP3 OH2 OT -0.834000 15.9994 0
+ 5284 WT1 3176 TIP3 H1 HT 0.417000 1.0080 0
+ 5285 WT1 3176 TIP3 H2 HT 0.417000 1.0080 0
+ 5286 WT1 3177 TIP3 OH2 OT -0.834000 15.9994 0
+ 5287 WT1 3177 TIP3 H1 HT 0.417000 1.0080 0
+ 5288 WT1 3177 TIP3 H2 HT 0.417000 1.0080 0
+ 5289 WT1 3178 TIP3 OH2 OT -0.834000 15.9994 0
+ 5290 WT1 3178 TIP3 H1 HT 0.417000 1.0080 0
+ 5291 WT1 3178 TIP3 H2 HT 0.417000 1.0080 0
+ 5292 WT1 3181 TIP3 OH2 OT -0.834000 15.9994 0
+ 5293 WT1 3181 TIP3 H1 HT 0.417000 1.0080 0
+ 5294 WT1 3181 TIP3 H2 HT 0.417000 1.0080 0
+ 5295 WT1 3182 TIP3 OH2 OT -0.834000 15.9994 0
+ 5296 WT1 3182 TIP3 H1 HT 0.417000 1.0080 0
+ 5297 WT1 3182 TIP3 H2 HT 0.417000 1.0080 0
+ 5298 WT1 3183 TIP3 OH2 OT -0.834000 15.9994 0
+ 5299 WT1 3183 TIP3 H1 HT 0.417000 1.0080 0
+ 5300 WT1 3183 TIP3 H2 HT 0.417000 1.0080 0
+ 5301 WT1 3184 TIP3 OH2 OT -0.834000 15.9994 0
+ 5302 WT1 3184 TIP3 H1 HT 0.417000 1.0080 0
+ 5303 WT1 3184 TIP3 H2 HT 0.417000 1.0080 0
+ 5304 WT1 3185 TIP3 OH2 OT -0.834000 15.9994 0
+ 5305 WT1 3185 TIP3 H1 HT 0.417000 1.0080 0
+ 5306 WT1 3185 TIP3 H2 HT 0.417000 1.0080 0
+ 5307 WT1 3187 TIP3 OH2 OT -0.834000 15.9994 0
+ 5308 WT1 3187 TIP3 H1 HT 0.417000 1.0080 0
+ 5309 WT1 3187 TIP3 H2 HT 0.417000 1.0080 0
+ 5310 WT1 3189 TIP3 OH2 OT -0.834000 15.9994 0
+ 5311 WT1 3189 TIP3 H1 HT 0.417000 1.0080 0
+ 5312 WT1 3189 TIP3 H2 HT 0.417000 1.0080 0
+ 5313 WT1 3192 TIP3 OH2 OT -0.834000 15.9994 0
+ 5314 WT1 3192 TIP3 H1 HT 0.417000 1.0080 0
+ 5315 WT1 3192 TIP3 H2 HT 0.417000 1.0080 0
+ 5316 WT1 3193 TIP3 OH2 OT -0.834000 15.9994 0
+ 5317 WT1 3193 TIP3 H1 HT 0.417000 1.0080 0
+ 5318 WT1 3193 TIP3 H2 HT 0.417000 1.0080 0
+ 5319 WT1 3196 TIP3 OH2 OT -0.834000 15.9994 0
+ 5320 WT1 3196 TIP3 H1 HT 0.417000 1.0080 0
+ 5321 WT1 3196 TIP3 H2 HT 0.417000 1.0080 0
+ 5322 WT1 3197 TIP3 OH2 OT -0.834000 15.9994 0
+ 5323 WT1 3197 TIP3 H1 HT 0.417000 1.0080 0
+ 5324 WT1 3197 TIP3 H2 HT 0.417000 1.0080 0
+ 5325 WT1 3198 TIP3 OH2 OT -0.834000 15.9994 0
+ 5326 WT1 3198 TIP3 H1 HT 0.417000 1.0080 0
+ 5327 WT1 3198 TIP3 H2 HT 0.417000 1.0080 0
+ 5328 WT1 3199 TIP3 OH2 OT -0.834000 15.9994 0
+ 5329 WT1 3199 TIP3 H1 HT 0.417000 1.0080 0
+ 5330 WT1 3199 TIP3 H2 HT 0.417000 1.0080 0
+ 5331 WT1 3200 TIP3 OH2 OT -0.834000 15.9994 0
+ 5332 WT1 3200 TIP3 H1 HT 0.417000 1.0080 0
+ 5333 WT1 3200 TIP3 H2 HT 0.417000 1.0080 0
+ 5334 WT1 3201 TIP3 OH2 OT -0.834000 15.9994 0
+ 5335 WT1 3201 TIP3 H1 HT 0.417000 1.0080 0
+ 5336 WT1 3201 TIP3 H2 HT 0.417000 1.0080 0
+ 5337 WT1 3202 TIP3 OH2 OT -0.834000 15.9994 0
+ 5338 WT1 3202 TIP3 H1 HT 0.417000 1.0080 0
+ 5339 WT1 3202 TIP3 H2 HT 0.417000 1.0080 0
+ 5340 WT1 3203 TIP3 OH2 OT -0.834000 15.9994 0
+ 5341 WT1 3203 TIP3 H1 HT 0.417000 1.0080 0
+ 5342 WT1 3203 TIP3 H2 HT 0.417000 1.0080 0
+ 5343 WT1 3204 TIP3 OH2 OT -0.834000 15.9994 0
+ 5344 WT1 3204 TIP3 H1 HT 0.417000 1.0080 0
+ 5345 WT1 3204 TIP3 H2 HT 0.417000 1.0080 0
+ 5346 WT1 3205 TIP3 OH2 OT -0.834000 15.9994 0
+ 5347 WT1 3205 TIP3 H1 HT 0.417000 1.0080 0
+ 5348 WT1 3205 TIP3 H2 HT 0.417000 1.0080 0
+ 5349 WT1 3207 TIP3 OH2 OT -0.834000 15.9994 0
+ 5350 WT1 3207 TIP3 H1 HT 0.417000 1.0080 0
+ 5351 WT1 3207 TIP3 H2 HT 0.417000 1.0080 0
+ 5352 WT1 3210 TIP3 OH2 OT -0.834000 15.9994 0
+ 5353 WT1 3210 TIP3 H1 HT 0.417000 1.0080 0
+ 5354 WT1 3210 TIP3 H2 HT 0.417000 1.0080 0
+ 5355 WT1 3214 TIP3 OH2 OT -0.834000 15.9994 0
+ 5356 WT1 3214 TIP3 H1 HT 0.417000 1.0080 0
+ 5357 WT1 3214 TIP3 H2 HT 0.417000 1.0080 0
+ 5358 WT1 3215 TIP3 OH2 OT -0.834000 15.9994 0
+ 5359 WT1 3215 TIP3 H1 HT 0.417000 1.0080 0
+ 5360 WT1 3215 TIP3 H2 HT 0.417000 1.0080 0
+ 5361 WT1 3218 TIP3 OH2 OT -0.834000 15.9994 0
+ 5362 WT1 3218 TIP3 H1 HT 0.417000 1.0080 0
+ 5363 WT1 3218 TIP3 H2 HT 0.417000 1.0080 0
+ 5364 WT1 3220 TIP3 OH2 OT -0.834000 15.9994 0
+ 5365 WT1 3220 TIP3 H1 HT 0.417000 1.0080 0
+ 5366 WT1 3220 TIP3 H2 HT 0.417000 1.0080 0
+ 5367 WT1 3221 TIP3 OH2 OT -0.834000 15.9994 0
+ 5368 WT1 3221 TIP3 H1 HT 0.417000 1.0080 0
+ 5369 WT1 3221 TIP3 H2 HT 0.417000 1.0080 0
+ 5370 WT1 3222 TIP3 OH2 OT -0.834000 15.9994 0
+ 5371 WT1 3222 TIP3 H1 HT 0.417000 1.0080 0
+ 5372 WT1 3222 TIP3 H2 HT 0.417000 1.0080 0
+ 5373 WT1 3223 TIP3 OH2 OT -0.834000 15.9994 0
+ 5374 WT1 3223 TIP3 H1 HT 0.417000 1.0080 0
+ 5375 WT1 3223 TIP3 H2 HT 0.417000 1.0080 0
+ 5376 WT1 3224 TIP3 OH2 OT -0.834000 15.9994 0
+ 5377 WT1 3224 TIP3 H1 HT 0.417000 1.0080 0
+ 5378 WT1 3224 TIP3 H2 HT 0.417000 1.0080 0
+ 5379 WT1 3225 TIP3 OH2 OT -0.834000 15.9994 0
+ 5380 WT1 3225 TIP3 H1 HT 0.417000 1.0080 0
+ 5381 WT1 3225 TIP3 H2 HT 0.417000 1.0080 0
+ 5382 WT1 3226 TIP3 OH2 OT -0.834000 15.9994 0
+ 5383 WT1 3226 TIP3 H1 HT 0.417000 1.0080 0
+ 5384 WT1 3226 TIP3 H2 HT 0.417000 1.0080 0
+ 5385 WT1 3227 TIP3 OH2 OT -0.834000 15.9994 0
+ 5386 WT1 3227 TIP3 H1 HT 0.417000 1.0080 0
+ 5387 WT1 3227 TIP3 H2 HT 0.417000 1.0080 0
+ 5388 WT1 3228 TIP3 OH2 OT -0.834000 15.9994 0
+ 5389 WT1 3228 TIP3 H1 HT 0.417000 1.0080 0
+ 5390 WT1 3228 TIP3 H2 HT 0.417000 1.0080 0
+ 5391 WT1 3229 TIP3 OH2 OT -0.834000 15.9994 0
+ 5392 WT1 3229 TIP3 H1 HT 0.417000 1.0080 0
+ 5393 WT1 3229 TIP3 H2 HT 0.417000 1.0080 0
+ 5394 WT1 3233 TIP3 OH2 OT -0.834000 15.9994 0
+ 5395 WT1 3233 TIP3 H1 HT 0.417000 1.0080 0
+ 5396 WT1 3233 TIP3 H2 HT 0.417000 1.0080 0
+ 5397 WT1 3234 TIP3 OH2 OT -0.834000 15.9994 0
+ 5398 WT1 3234 TIP3 H1 HT 0.417000 1.0080 0
+ 5399 WT1 3234 TIP3 H2 HT 0.417000 1.0080 0
+ 5400 WT1 3236 TIP3 OH2 OT -0.834000 15.9994 0
+ 5401 WT1 3236 TIP3 H1 HT 0.417000 1.0080 0
+ 5402 WT1 3236 TIP3 H2 HT 0.417000 1.0080 0
+ 5403 WT1 3237 TIP3 OH2 OT -0.834000 15.9994 0
+ 5404 WT1 3237 TIP3 H1 HT 0.417000 1.0080 0
+ 5405 WT1 3237 TIP3 H2 HT 0.417000 1.0080 0
+ 5406 WT1 3238 TIP3 OH2 OT -0.834000 15.9994 0
+ 5407 WT1 3238 TIP3 H1 HT 0.417000 1.0080 0
+ 5408 WT1 3238 TIP3 H2 HT 0.417000 1.0080 0
+ 5409 WT1 3239 TIP3 OH2 OT -0.834000 15.9994 0
+ 5410 WT1 3239 TIP3 H1 HT 0.417000 1.0080 0
+ 5411 WT1 3239 TIP3 H2 HT 0.417000 1.0080 0
+ 5412 WT1 3240 TIP3 OH2 OT -0.834000 15.9994 0
+ 5413 WT1 3240 TIP3 H1 HT 0.417000 1.0080 0
+ 5414 WT1 3240 TIP3 H2 HT 0.417000 1.0080 0
+ 5415 WT1 3241 TIP3 OH2 OT -0.834000 15.9994 0
+ 5416 WT1 3241 TIP3 H1 HT 0.417000 1.0080 0
+ 5417 WT1 3241 TIP3 H2 HT 0.417000 1.0080 0
+ 5418 WT1 3242 TIP3 OH2 OT -0.834000 15.9994 0
+ 5419 WT1 3242 TIP3 H1 HT 0.417000 1.0080 0
+ 5420 WT1 3242 TIP3 H2 HT 0.417000 1.0080 0
+ 5421 WT1 3243 TIP3 OH2 OT -0.834000 15.9994 0
+ 5422 WT1 3243 TIP3 H1 HT 0.417000 1.0080 0
+ 5423 WT1 3243 TIP3 H2 HT 0.417000 1.0080 0
+ 5424 WT1 3244 TIP3 OH2 OT -0.834000 15.9994 0
+ 5425 WT1 3244 TIP3 H1 HT 0.417000 1.0080 0
+ 5426 WT1 3244 TIP3 H2 HT 0.417000 1.0080 0
+ 5427 WT1 3245 TIP3 OH2 OT -0.834000 15.9994 0
+ 5428 WT1 3245 TIP3 H1 HT 0.417000 1.0080 0
+ 5429 WT1 3245 TIP3 H2 HT 0.417000 1.0080 0
+ 5430 WT1 3246 TIP3 OH2 OT -0.834000 15.9994 0
+ 5431 WT1 3246 TIP3 H1 HT 0.417000 1.0080 0
+ 5432 WT1 3246 TIP3 H2 HT 0.417000 1.0080 0
+ 5433 WT1 3249 TIP3 OH2 OT -0.834000 15.9994 0
+ 5434 WT1 3249 TIP3 H1 HT 0.417000 1.0080 0
+ 5435 WT1 3249 TIP3 H2 HT 0.417000 1.0080 0
+ 5436 WT1 3257 TIP3 OH2 OT -0.834000 15.9994 0
+ 5437 WT1 3257 TIP3 H1 HT 0.417000 1.0080 0
+ 5438 WT1 3257 TIP3 H2 HT 0.417000 1.0080 0
+ 5439 WT1 3258 TIP3 OH2 OT -0.834000 15.9994 0
+ 5440 WT1 3258 TIP3 H1 HT 0.417000 1.0080 0
+ 5441 WT1 3258 TIP3 H2 HT 0.417000 1.0080 0
+ 5442 WT1 3262 TIP3 OH2 OT -0.834000 15.9994 0
+ 5443 WT1 3262 TIP3 H1 HT 0.417000 1.0080 0
+ 5444 WT1 3262 TIP3 H2 HT 0.417000 1.0080 0
+ 5445 WT1 3263 TIP3 OH2 OT -0.834000 15.9994 0
+ 5446 WT1 3263 TIP3 H1 HT 0.417000 1.0080 0
+ 5447 WT1 3263 TIP3 H2 HT 0.417000 1.0080 0
+ 5448 WT1 3264 TIP3 OH2 OT -0.834000 15.9994 0
+ 5449 WT1 3264 TIP3 H1 HT 0.417000 1.0080 0
+ 5450 WT1 3264 TIP3 H2 HT 0.417000 1.0080 0
+ 5451 WT1 3266 TIP3 OH2 OT -0.834000 15.9994 0
+ 5452 WT1 3266 TIP3 H1 HT 0.417000 1.0080 0
+ 5453 WT1 3266 TIP3 H2 HT 0.417000 1.0080 0
+ 5454 WT1 3267 TIP3 OH2 OT -0.834000 15.9994 0
+ 5455 WT1 3267 TIP3 H1 HT 0.417000 1.0080 0
+ 5456 WT1 3267 TIP3 H2 HT 0.417000 1.0080 0
+ 5457 WT1 3269 TIP3 OH2 OT -0.834000 15.9994 0
+ 5458 WT1 3269 TIP3 H1 HT 0.417000 1.0080 0
+ 5459 WT1 3269 TIP3 H2 HT 0.417000 1.0080 0
+ 5460 WT1 3270 TIP3 OH2 OT -0.834000 15.9994 0
+ 5461 WT1 3270 TIP3 H1 HT 0.417000 1.0080 0
+ 5462 WT1 3270 TIP3 H2 HT 0.417000 1.0080 0
+ 5463 WT1 3271 TIP3 OH2 OT -0.834000 15.9994 0
+ 5464 WT1 3271 TIP3 H1 HT 0.417000 1.0080 0
+ 5465 WT1 3271 TIP3 H2 HT 0.417000 1.0080 0
+ 5466 WT1 3272 TIP3 OH2 OT -0.834000 15.9994 0
+ 5467 WT1 3272 TIP3 H1 HT 0.417000 1.0080 0
+ 5468 WT1 3272 TIP3 H2 HT 0.417000 1.0080 0
+ 5469 WT1 3274 TIP3 OH2 OT -0.834000 15.9994 0
+ 5470 WT1 3274 TIP3 H1 HT 0.417000 1.0080 0
+ 5471 WT1 3274 TIP3 H2 HT 0.417000 1.0080 0
+ 5472 WT1 3276 TIP3 OH2 OT -0.834000 15.9994 0
+ 5473 WT1 3276 TIP3 H1 HT 0.417000 1.0080 0
+ 5474 WT1 3276 TIP3 H2 HT 0.417000 1.0080 0
+ 5475 WT1 3277 TIP3 OH2 OT -0.834000 15.9994 0
+ 5476 WT1 3277 TIP3 H1 HT 0.417000 1.0080 0
+ 5477 WT1 3277 TIP3 H2 HT 0.417000 1.0080 0
+ 5478 WT1 3278 TIP3 OH2 OT -0.834000 15.9994 0
+ 5479 WT1 3278 TIP3 H1 HT 0.417000 1.0080 0
+ 5480 WT1 3278 TIP3 H2 HT 0.417000 1.0080 0
+ 5481 WT1 3279 TIP3 OH2 OT -0.834000 15.9994 0
+ 5482 WT1 3279 TIP3 H1 HT 0.417000 1.0080 0
+ 5483 WT1 3279 TIP3 H2 HT 0.417000 1.0080 0
+ 5484 WT1 3280 TIP3 OH2 OT -0.834000 15.9994 0
+ 5485 WT1 3280 TIP3 H1 HT 0.417000 1.0080 0
+ 5486 WT1 3280 TIP3 H2 HT 0.417000 1.0080 0
+ 5487 WT1 3282 TIP3 OH2 OT -0.834000 15.9994 0
+ 5488 WT1 3282 TIP3 H1 HT 0.417000 1.0080 0
+ 5489 WT1 3282 TIP3 H2 HT 0.417000 1.0080 0
+ 5490 WT1 3283 TIP3 OH2 OT -0.834000 15.9994 0
+ 5491 WT1 3283 TIP3 H1 HT 0.417000 1.0080 0
+ 5492 WT1 3283 TIP3 H2 HT 0.417000 1.0080 0
+ 5493 WT1 3285 TIP3 OH2 OT -0.834000 15.9994 0
+ 5494 WT1 3285 TIP3 H1 HT 0.417000 1.0080 0
+ 5495 WT1 3285 TIP3 H2 HT 0.417000 1.0080 0
+ 5496 WT1 3286 TIP3 OH2 OT -0.834000 15.9994 0
+ 5497 WT1 3286 TIP3 H1 HT 0.417000 1.0080 0
+ 5498 WT1 3286 TIP3 H2 HT 0.417000 1.0080 0
+ 5499 WT1 3287 TIP3 OH2 OT -0.834000 15.9994 0
+ 5500 WT1 3287 TIP3 H1 HT 0.417000 1.0080 0
+ 5501 WT1 3287 TIP3 H2 HT 0.417000 1.0080 0
+ 5502 WT1 3288 TIP3 OH2 OT -0.834000 15.9994 0
+ 5503 WT1 3288 TIP3 H1 HT 0.417000 1.0080 0
+ 5504 WT1 3288 TIP3 H2 HT 0.417000 1.0080 0
+ 5505 WT1 3289 TIP3 OH2 OT -0.834000 15.9994 0
+ 5506 WT1 3289 TIP3 H1 HT 0.417000 1.0080 0
+ 5507 WT1 3289 TIP3 H2 HT 0.417000 1.0080 0
+ 5508 WT1 3291 TIP3 OH2 OT -0.834000 15.9994 0
+ 5509 WT1 3291 TIP3 H1 HT 0.417000 1.0080 0
+ 5510 WT1 3291 TIP3 H2 HT 0.417000 1.0080 0
+ 5511 WT1 3293 TIP3 OH2 OT -0.834000 15.9994 0
+ 5512 WT1 3293 TIP3 H1 HT 0.417000 1.0080 0
+ 5513 WT1 3293 TIP3 H2 HT 0.417000 1.0080 0
+ 5514 WT1 3296 TIP3 OH2 OT -0.834000 15.9994 0
+ 5515 WT1 3296 TIP3 H1 HT 0.417000 1.0080 0
+ 5516 WT1 3296 TIP3 H2 HT 0.417000 1.0080 0
+ 5517 WT1 3298 TIP3 OH2 OT -0.834000 15.9994 0
+ 5518 WT1 3298 TIP3 H1 HT 0.417000 1.0080 0
+ 5519 WT1 3298 TIP3 H2 HT 0.417000 1.0080 0
+ 5520 WT1 3301 TIP3 OH2 OT -0.834000 15.9994 0
+ 5521 WT1 3301 TIP3 H1 HT 0.417000 1.0080 0
+ 5522 WT1 3301 TIP3 H2 HT 0.417000 1.0080 0
+ 5523 WT1 3302 TIP3 OH2 OT -0.834000 15.9994 0
+ 5524 WT1 3302 TIP3 H1 HT 0.417000 1.0080 0
+ 5525 WT1 3302 TIP3 H2 HT 0.417000 1.0080 0
+ 5526 WT1 3303 TIP3 OH2 OT -0.834000 15.9994 0
+ 5527 WT1 3303 TIP3 H1 HT 0.417000 1.0080 0
+ 5528 WT1 3303 TIP3 H2 HT 0.417000 1.0080 0
+ 5529 WT1 3304 TIP3 OH2 OT -0.834000 15.9994 0
+ 5530 WT1 3304 TIP3 H1 HT 0.417000 1.0080 0
+ 5531 WT1 3304 TIP3 H2 HT 0.417000 1.0080 0
+ 5532 WT1 3307 TIP3 OH2 OT -0.834000 15.9994 0
+ 5533 WT1 3307 TIP3 H1 HT 0.417000 1.0080 0
+ 5534 WT1 3307 TIP3 H2 HT 0.417000 1.0080 0
+ 5535 WT1 3308 TIP3 OH2 OT -0.834000 15.9994 0
+ 5536 WT1 3308 TIP3 H1 HT 0.417000 1.0080 0
+ 5537 WT1 3308 TIP3 H2 HT 0.417000 1.0080 0
+ 5538 WT1 3310 TIP3 OH2 OT -0.834000 15.9994 0
+ 5539 WT1 3310 TIP3 H1 HT 0.417000 1.0080 0
+ 5540 WT1 3310 TIP3 H2 HT 0.417000 1.0080 0
+ 5541 WT1 3311 TIP3 OH2 OT -0.834000 15.9994 0
+ 5542 WT1 3311 TIP3 H1 HT 0.417000 1.0080 0
+ 5543 WT1 3311 TIP3 H2 HT 0.417000 1.0080 0
+ 5544 WT1 3312 TIP3 OH2 OT -0.834000 15.9994 0
+ 5545 WT1 3312 TIP3 H1 HT 0.417000 1.0080 0
+ 5546 WT1 3312 TIP3 H2 HT 0.417000 1.0080 0
+ 5547 WT1 3317 TIP3 OH2 OT -0.834000 15.9994 0
+ 5548 WT1 3317 TIP3 H1 HT 0.417000 1.0080 0
+ 5549 WT1 3317 TIP3 H2 HT 0.417000 1.0080 0
+ 5550 WT1 3319 TIP3 OH2 OT -0.834000 15.9994 0
+ 5551 WT1 3319 TIP3 H1 HT 0.417000 1.0080 0
+ 5552 WT1 3319 TIP3 H2 HT 0.417000 1.0080 0
+ 5553 WT1 3320 TIP3 OH2 OT -0.834000 15.9994 0
+ 5554 WT1 3320 TIP3 H1 HT 0.417000 1.0080 0
+ 5555 WT1 3320 TIP3 H2 HT 0.417000 1.0080 0
+ 5556 WT1 3322 TIP3 OH2 OT -0.834000 15.9994 0
+ 5557 WT1 3322 TIP3 H1 HT 0.417000 1.0080 0
+ 5558 WT1 3322 TIP3 H2 HT 0.417000 1.0080 0
+ 5559 WT1 3323 TIP3 OH2 OT -0.834000 15.9994 0
+ 5560 WT1 3323 TIP3 H1 HT 0.417000 1.0080 0
+ 5561 WT1 3323 TIP3 H2 HT 0.417000 1.0080 0
+ 5562 WT1 3325 TIP3 OH2 OT -0.834000 15.9994 0
+ 5563 WT1 3325 TIP3 H1 HT 0.417000 1.0080 0
+ 5564 WT1 3325 TIP3 H2 HT 0.417000 1.0080 0
+ 5565 WT1 3327 TIP3 OH2 OT -0.834000 15.9994 0
+ 5566 WT1 3327 TIP3 H1 HT 0.417000 1.0080 0
+ 5567 WT1 3327 TIP3 H2 HT 0.417000 1.0080 0
+ 5568 WT1 3328 TIP3 OH2 OT -0.834000 15.9994 0
+ 5569 WT1 3328 TIP3 H1 HT 0.417000 1.0080 0
+ 5570 WT1 3328 TIP3 H2 HT 0.417000 1.0080 0
+ 5571 WT1 3329 TIP3 OH2 OT -0.834000 15.9994 0
+ 5572 WT1 3329 TIP3 H1 HT 0.417000 1.0080 0
+ 5573 WT1 3329 TIP3 H2 HT 0.417000 1.0080 0
+ 5574 WT1 3330 TIP3 OH2 OT -0.834000 15.9994 0
+ 5575 WT1 3330 TIP3 H1 HT 0.417000 1.0080 0
+ 5576 WT1 3330 TIP3 H2 HT 0.417000 1.0080 0
+ 5577 WT1 3335 TIP3 OH2 OT -0.834000 15.9994 0
+ 5578 WT1 3335 TIP3 H1 HT 0.417000 1.0080 0
+ 5579 WT1 3335 TIP3 H2 HT 0.417000 1.0080 0
+ 5580 WT1 3337 TIP3 OH2 OT -0.834000 15.9994 0
+ 5581 WT1 3337 TIP3 H1 HT 0.417000 1.0080 0
+ 5582 WT1 3337 TIP3 H2 HT 0.417000 1.0080 0
+ 5583 WT1 3341 TIP3 OH2 OT -0.834000 15.9994 0
+ 5584 WT1 3341 TIP3 H1 HT 0.417000 1.0080 0
+ 5585 WT1 3341 TIP3 H2 HT 0.417000 1.0080 0
+ 5586 WT1 3342 TIP3 OH2 OT -0.834000 15.9994 0
+ 5587 WT1 3342 TIP3 H1 HT 0.417000 1.0080 0
+ 5588 WT1 3342 TIP3 H2 HT 0.417000 1.0080 0
+ 5589 WT1 3344 TIP3 OH2 OT -0.834000 15.9994 0
+ 5590 WT1 3344 TIP3 H1 HT 0.417000 1.0080 0
+ 5591 WT1 3344 TIP3 H2 HT 0.417000 1.0080 0
+ 5592 WT1 3345 TIP3 OH2 OT -0.834000 15.9994 0
+ 5593 WT1 3345 TIP3 H1 HT 0.417000 1.0080 0
+ 5594 WT1 3345 TIP3 H2 HT 0.417000 1.0080 0
+ 5595 WT1 3346 TIP3 OH2 OT -0.834000 15.9994 0
+ 5596 WT1 3346 TIP3 H1 HT 0.417000 1.0080 0
+ 5597 WT1 3346 TIP3 H2 HT 0.417000 1.0080 0
+ 5598 WT1 3348 TIP3 OH2 OT -0.834000 15.9994 0
+ 5599 WT1 3348 TIP3 H1 HT 0.417000 1.0080 0
+ 5600 WT1 3348 TIP3 H2 HT 0.417000 1.0080 0
+ 5601 WT1 3351 TIP3 OH2 OT -0.834000 15.9994 0
+ 5602 WT1 3351 TIP3 H1 HT 0.417000 1.0080 0
+ 5603 WT1 3351 TIP3 H2 HT 0.417000 1.0080 0
+ 5604 WT1 3353 TIP3 OH2 OT -0.834000 15.9994 0
+ 5605 WT1 3353 TIP3 H1 HT 0.417000 1.0080 0
+ 5606 WT1 3353 TIP3 H2 HT 0.417000 1.0080 0
+ 5607 WT1 3354 TIP3 OH2 OT -0.834000 15.9994 0
+ 5608 WT1 3354 TIP3 H1 HT 0.417000 1.0080 0
+ 5609 WT1 3354 TIP3 H2 HT 0.417000 1.0080 0
+ 5610 WT1 3355 TIP3 OH2 OT -0.834000 15.9994 0
+ 5611 WT1 3355 TIP3 H1 HT 0.417000 1.0080 0
+ 5612 WT1 3355 TIP3 H2 HT 0.417000 1.0080 0
+ 5613 WT1 3360 TIP3 OH2 OT -0.834000 15.9994 0
+ 5614 WT1 3360 TIP3 H1 HT 0.417000 1.0080 0
+ 5615 WT1 3360 TIP3 H2 HT 0.417000 1.0080 0
+ 5616 WT1 3361 TIP3 OH2 OT -0.834000 15.9994 0
+ 5617 WT1 3361 TIP3 H1 HT 0.417000 1.0080 0
+ 5618 WT1 3361 TIP3 H2 HT 0.417000 1.0080 0
+ 5619 WT1 3362 TIP3 OH2 OT -0.834000 15.9994 0
+ 5620 WT1 3362 TIP3 H1 HT 0.417000 1.0080 0
+ 5621 WT1 3362 TIP3 H2 HT 0.417000 1.0080 0
+ 5622 WT1 3363 TIP3 OH2 OT -0.834000 15.9994 0
+ 5623 WT1 3363 TIP3 H1 HT 0.417000 1.0080 0
+ 5624 WT1 3363 TIP3 H2 HT 0.417000 1.0080 0
+ 5625 WT1 3364 TIP3 OH2 OT -0.834000 15.9994 0
+ 5626 WT1 3364 TIP3 H1 HT 0.417000 1.0080 0
+ 5627 WT1 3364 TIP3 H2 HT 0.417000 1.0080 0
+ 5628 WT1 3366 TIP3 OH2 OT -0.834000 15.9994 0
+ 5629 WT1 3366 TIP3 H1 HT 0.417000 1.0080 0
+ 5630 WT1 3366 TIP3 H2 HT 0.417000 1.0080 0
+ 5631 WT1 3368 TIP3 OH2 OT -0.834000 15.9994 0
+ 5632 WT1 3368 TIP3 H1 HT 0.417000 1.0080 0
+ 5633 WT1 3368 TIP3 H2 HT 0.417000 1.0080 0
+ 5634 WT1 3369 TIP3 OH2 OT -0.834000 15.9994 0
+ 5635 WT1 3369 TIP3 H1 HT 0.417000 1.0080 0
+ 5636 WT1 3369 TIP3 H2 HT 0.417000 1.0080 0
+ 5637 WT1 3370 TIP3 OH2 OT -0.834000 15.9994 0
+ 5638 WT1 3370 TIP3 H1 HT 0.417000 1.0080 0
+ 5639 WT1 3370 TIP3 H2 HT 0.417000 1.0080 0
+ 5640 WT1 3372 TIP3 OH2 OT -0.834000 15.9994 0
+ 5641 WT1 3372 TIP3 H1 HT 0.417000 1.0080 0
+ 5642 WT1 3372 TIP3 H2 HT 0.417000 1.0080 0
+ 5643 WT1 3373 TIP3 OH2 OT -0.834000 15.9994 0
+ 5644 WT1 3373 TIP3 H1 HT 0.417000 1.0080 0
+ 5645 WT1 3373 TIP3 H2 HT 0.417000 1.0080 0
+ 5646 WT1 3375 TIP3 OH2 OT -0.834000 15.9994 0
+ 5647 WT1 3375 TIP3 H1 HT 0.417000 1.0080 0
+ 5648 WT1 3375 TIP3 H2 HT 0.417000 1.0080 0
+ 5649 WT1 3377 TIP3 OH2 OT -0.834000 15.9994 0
+ 5650 WT1 3377 TIP3 H1 HT 0.417000 1.0080 0
+ 5651 WT1 3377 TIP3 H2 HT 0.417000 1.0080 0
+ 5652 WT1 3381 TIP3 OH2 OT -0.834000 15.9994 0
+ 5653 WT1 3381 TIP3 H1 HT 0.417000 1.0080 0
+ 5654 WT1 3381 TIP3 H2 HT 0.417000 1.0080 0
+ 5655 WT1 3382 TIP3 OH2 OT -0.834000 15.9994 0
+ 5656 WT1 3382 TIP3 H1 HT 0.417000 1.0080 0
+ 5657 WT1 3382 TIP3 H2 HT 0.417000 1.0080 0
+ 5658 WT1 3383 TIP3 OH2 OT -0.834000 15.9994 0
+ 5659 WT1 3383 TIP3 H1 HT 0.417000 1.0080 0
+ 5660 WT1 3383 TIP3 H2 HT 0.417000 1.0080 0
+ 5661 WT1 3384 TIP3 OH2 OT -0.834000 15.9994 0
+ 5662 WT1 3384 TIP3 H1 HT 0.417000 1.0080 0
+ 5663 WT1 3384 TIP3 H2 HT 0.417000 1.0080 0
+ 5664 WT1 3386 TIP3 OH2 OT -0.834000 15.9994 0
+ 5665 WT1 3386 TIP3 H1 HT 0.417000 1.0080 0
+ 5666 WT1 3386 TIP3 H2 HT 0.417000 1.0080 0
+ 5667 WT1 3388 TIP3 OH2 OT -0.834000 15.9994 0
+ 5668 WT1 3388 TIP3 H1 HT 0.417000 1.0080 0
+ 5669 WT1 3388 TIP3 H2 HT 0.417000 1.0080 0
+ 5670 WT1 3389 TIP3 OH2 OT -0.834000 15.9994 0
+ 5671 WT1 3389 TIP3 H1 HT 0.417000 1.0080 0
+ 5672 WT1 3389 TIP3 H2 HT 0.417000 1.0080 0
+ 5673 WT1 3391 TIP3 OH2 OT -0.834000 15.9994 0
+ 5674 WT1 3391 TIP3 H1 HT 0.417000 1.0080 0
+ 5675 WT1 3391 TIP3 H2 HT 0.417000 1.0080 0
+ 5676 WT1 3392 TIP3 OH2 OT -0.834000 15.9994 0
+ 5677 WT1 3392 TIP3 H1 HT 0.417000 1.0080 0
+ 5678 WT1 3392 TIP3 H2 HT 0.417000 1.0080 0
+ 5679 WT1 3393 TIP3 OH2 OT -0.834000 15.9994 0
+ 5680 WT1 3393 TIP3 H1 HT 0.417000 1.0080 0
+ 5681 WT1 3393 TIP3 H2 HT 0.417000 1.0080 0
+ 5682 WT1 3396 TIP3 OH2 OT -0.834000 15.9994 0
+ 5683 WT1 3396 TIP3 H1 HT 0.417000 1.0080 0
+ 5684 WT1 3396 TIP3 H2 HT 0.417000 1.0080 0
+ 5685 WT1 3397 TIP3 OH2 OT -0.834000 15.9994 0
+ 5686 WT1 3397 TIP3 H1 HT 0.417000 1.0080 0
+ 5687 WT1 3397 TIP3 H2 HT 0.417000 1.0080 0
+ 5688 WT1 3401 TIP3 OH2 OT -0.834000 15.9994 0
+ 5689 WT1 3401 TIP3 H1 HT 0.417000 1.0080 0
+ 5690 WT1 3401 TIP3 H2 HT 0.417000 1.0080 0
+ 5691 WT1 3402 TIP3 OH2 OT -0.834000 15.9994 0
+ 5692 WT1 3402 TIP3 H1 HT 0.417000 1.0080 0
+ 5693 WT1 3402 TIP3 H2 HT 0.417000 1.0080 0
+ 5694 WT1 3404 TIP3 OH2 OT -0.834000 15.9994 0
+ 5695 WT1 3404 TIP3 H1 HT 0.417000 1.0080 0
+ 5696 WT1 3404 TIP3 H2 HT 0.417000 1.0080 0
+ 5697 WT1 3405 TIP3 OH2 OT -0.834000 15.9994 0
+ 5698 WT1 3405 TIP3 H1 HT 0.417000 1.0080 0
+ 5699 WT1 3405 TIP3 H2 HT 0.417000 1.0080 0
+ 5700 WT1 3406 TIP3 OH2 OT -0.834000 15.9994 0
+ 5701 WT1 3406 TIP3 H1 HT 0.417000 1.0080 0
+ 5702 WT1 3406 TIP3 H2 HT 0.417000 1.0080 0
+ 5703 WT1 3407 TIP3 OH2 OT -0.834000 15.9994 0
+ 5704 WT1 3407 TIP3 H1 HT 0.417000 1.0080 0
+ 5705 WT1 3407 TIP3 H2 HT 0.417000 1.0080 0
+ 5706 WT1 3408 TIP3 OH2 OT -0.834000 15.9994 0
+ 5707 WT1 3408 TIP3 H1 HT 0.417000 1.0080 0
+ 5708 WT1 3408 TIP3 H2 HT 0.417000 1.0080 0
+ 5709 WT1 3409 TIP3 OH2 OT -0.834000 15.9994 0
+ 5710 WT1 3409 TIP3 H1 HT 0.417000 1.0080 0
+ 5711 WT1 3409 TIP3 H2 HT 0.417000 1.0080 0
+ 5712 WT1 3410 TIP3 OH2 OT -0.834000 15.9994 0
+ 5713 WT1 3410 TIP3 H1 HT 0.417000 1.0080 0
+ 5714 WT1 3410 TIP3 H2 HT 0.417000 1.0080 0
+ 5715 WT1 3411 TIP3 OH2 OT -0.834000 15.9994 0
+ 5716 WT1 3411 TIP3 H1 HT 0.417000 1.0080 0
+ 5717 WT1 3411 TIP3 H2 HT 0.417000 1.0080 0
+ 5718 WT1 3412 TIP3 OH2 OT -0.834000 15.9994 0
+ 5719 WT1 3412 TIP3 H1 HT 0.417000 1.0080 0
+ 5720 WT1 3412 TIP3 H2 HT 0.417000 1.0080 0
+ 5721 WT1 3413 TIP3 OH2 OT -0.834000 15.9994 0
+ 5722 WT1 3413 TIP3 H1 HT 0.417000 1.0080 0
+ 5723 WT1 3413 TIP3 H2 HT 0.417000 1.0080 0
+ 5724 WT1 3414 TIP3 OH2 OT -0.834000 15.9994 0
+ 5725 WT1 3414 TIP3 H1 HT 0.417000 1.0080 0
+ 5726 WT1 3414 TIP3 H2 HT 0.417000 1.0080 0
+ 5727 WT1 3415 TIP3 OH2 OT -0.834000 15.9994 0
+ 5728 WT1 3415 TIP3 H1 HT 0.417000 1.0080 0
+ 5729 WT1 3415 TIP3 H2 HT 0.417000 1.0080 0
+ 5730 WT1 3417 TIP3 OH2 OT -0.834000 15.9994 0
+ 5731 WT1 3417 TIP3 H1 HT 0.417000 1.0080 0
+ 5732 WT1 3417 TIP3 H2 HT 0.417000 1.0080 0
+ 5733 WT1 3418 TIP3 OH2 OT -0.834000 15.9994 0
+ 5734 WT1 3418 TIP3 H1 HT 0.417000 1.0080 0
+ 5735 WT1 3418 TIP3 H2 HT 0.417000 1.0080 0
+ 5736 WT1 3424 TIP3 OH2 OT -0.834000 15.9994 0
+ 5737 WT1 3424 TIP3 H1 HT 0.417000 1.0080 0
+ 5738 WT1 3424 TIP3 H2 HT 0.417000 1.0080 0
+ 5739 WT1 3426 TIP3 OH2 OT -0.834000 15.9994 0
+ 5740 WT1 3426 TIP3 H1 HT 0.417000 1.0080 0
+ 5741 WT1 3426 TIP3 H2 HT 0.417000 1.0080 0
+ 5742 WT1 3427 TIP3 OH2 OT -0.834000 15.9994 0
+ 5743 WT1 3427 TIP3 H1 HT 0.417000 1.0080 0
+ 5744 WT1 3427 TIP3 H2 HT 0.417000 1.0080 0
+ 5745 WT1 3428 TIP3 OH2 OT -0.834000 15.9994 0
+ 5746 WT1 3428 TIP3 H1 HT 0.417000 1.0080 0
+ 5747 WT1 3428 TIP3 H2 HT 0.417000 1.0080 0
+ 5748 WT1 3429 TIP3 OH2 OT -0.834000 15.9994 0
+ 5749 WT1 3429 TIP3 H1 HT 0.417000 1.0080 0
+ 5750 WT1 3429 TIP3 H2 HT 0.417000 1.0080 0
+ 5751 WT1 3431 TIP3 OH2 OT -0.834000 15.9994 0
+ 5752 WT1 3431 TIP3 H1 HT 0.417000 1.0080 0
+ 5753 WT1 3431 TIP3 H2 HT 0.417000 1.0080 0
+ 5754 WT1 3432 TIP3 OH2 OT -0.834000 15.9994 0
+ 5755 WT1 3432 TIP3 H1 HT 0.417000 1.0080 0
+ 5756 WT1 3432 TIP3 H2 HT 0.417000 1.0080 0
+ 5757 WT1 3433 TIP3 OH2 OT -0.834000 15.9994 0
+ 5758 WT1 3433 TIP3 H1 HT 0.417000 1.0080 0
+ 5759 WT1 3433 TIP3 H2 HT 0.417000 1.0080 0
+ 5760 WT1 3434 TIP3 OH2 OT -0.834000 15.9994 0
+ 5761 WT1 3434 TIP3 H1 HT 0.417000 1.0080 0
+ 5762 WT1 3434 TIP3 H2 HT 0.417000 1.0080 0
+ 5763 WT1 3435 TIP3 OH2 OT -0.834000 15.9994 0
+ 5764 WT1 3435 TIP3 H1 HT 0.417000 1.0080 0
+ 5765 WT1 3435 TIP3 H2 HT 0.417000 1.0080 0
+ 5766 WT1 3437 TIP3 OH2 OT -0.834000 15.9994 0
+ 5767 WT1 3437 TIP3 H1 HT 0.417000 1.0080 0
+ 5768 WT1 3437 TIP3 H2 HT 0.417000 1.0080 0
+ 5769 WT1 3439 TIP3 OH2 OT -0.834000 15.9994 0
+ 5770 WT1 3439 TIP3 H1 HT 0.417000 1.0080 0
+ 5771 WT1 3439 TIP3 H2 HT 0.417000 1.0080 0
+ 5772 WT1 3442 TIP3 OH2 OT -0.834000 15.9994 0
+ 5773 WT1 3442 TIP3 H1 HT 0.417000 1.0080 0
+ 5774 WT1 3442 TIP3 H2 HT 0.417000 1.0080 0
+ 5775 WT1 3444 TIP3 OH2 OT -0.834000 15.9994 0
+ 5776 WT1 3444 TIP3 H1 HT 0.417000 1.0080 0
+ 5777 WT1 3444 TIP3 H2 HT 0.417000 1.0080 0
+ 5778 WT1 3445 TIP3 OH2 OT -0.834000 15.9994 0
+ 5779 WT1 3445 TIP3 H1 HT 0.417000 1.0080 0
+ 5780 WT1 3445 TIP3 H2 HT 0.417000 1.0080 0
+ 5781 WT1 3446 TIP3 OH2 OT -0.834000 15.9994 0
+ 5782 WT1 3446 TIP3 H1 HT 0.417000 1.0080 0
+ 5783 WT1 3446 TIP3 H2 HT 0.417000 1.0080 0
+ 5784 WT1 3447 TIP3 OH2 OT -0.834000 15.9994 0
+ 5785 WT1 3447 TIP3 H1 HT 0.417000 1.0080 0
+ 5786 WT1 3447 TIP3 H2 HT 0.417000 1.0080 0
+ 5787 WT1 3448 TIP3 OH2 OT -0.834000 15.9994 0
+ 5788 WT1 3448 TIP3 H1 HT 0.417000 1.0080 0
+ 5789 WT1 3448 TIP3 H2 HT 0.417000 1.0080 0
+ 5790 WT1 3449 TIP3 OH2 OT -0.834000 15.9994 0
+ 5791 WT1 3449 TIP3 H1 HT 0.417000 1.0080 0
+ 5792 WT1 3449 TIP3 H2 HT 0.417000 1.0080 0
+ 5793 WT1 3450 TIP3 OH2 OT -0.834000 15.9994 0
+ 5794 WT1 3450 TIP3 H1 HT 0.417000 1.0080 0
+ 5795 WT1 3450 TIP3 H2 HT 0.417000 1.0080 0
+ 5796 WT1 3451 TIP3 OH2 OT -0.834000 15.9994 0
+ 5797 WT1 3451 TIP3 H1 HT 0.417000 1.0080 0
+ 5798 WT1 3451 TIP3 H2 HT 0.417000 1.0080 0
+ 5799 WT1 3452 TIP3 OH2 OT -0.834000 15.9994 0
+ 5800 WT1 3452 TIP3 H1 HT 0.417000 1.0080 0
+ 5801 WT1 3452 TIP3 H2 HT 0.417000 1.0080 0
+ 5802 WT1 3453 TIP3 OH2 OT -0.834000 15.9994 0
+ 5803 WT1 3453 TIP3 H1 HT 0.417000 1.0080 0
+ 5804 WT1 3453 TIP3 H2 HT 0.417000 1.0080 0
+ 5805 WT1 3454 TIP3 OH2 OT -0.834000 15.9994 0
+ 5806 WT1 3454 TIP3 H1 HT 0.417000 1.0080 0
+ 5807 WT1 3454 TIP3 H2 HT 0.417000 1.0080 0
+ 5808 WT1 3455 TIP3 OH2 OT -0.834000 15.9994 0
+ 5809 WT1 3455 TIP3 H1 HT 0.417000 1.0080 0
+ 5810 WT1 3455 TIP3 H2 HT 0.417000 1.0080 0
+ 5811 WT1 3456 TIP3 OH2 OT -0.834000 15.9994 0
+ 5812 WT1 3456 TIP3 H1 HT 0.417000 1.0080 0
+ 5813 WT1 3456 TIP3 H2 HT 0.417000 1.0080 0
+ 5814 WT1 3460 TIP3 OH2 OT -0.834000 15.9994 0
+ 5815 WT1 3460 TIP3 H1 HT 0.417000 1.0080 0
+ 5816 WT1 3460 TIP3 H2 HT 0.417000 1.0080 0
+ 5817 WT1 3461 TIP3 OH2 OT -0.834000 15.9994 0
+ 5818 WT1 3461 TIP3 H1 HT 0.417000 1.0080 0
+ 5819 WT1 3461 TIP3 H2 HT 0.417000 1.0080 0
+ 5820 WT1 3462 TIP3 OH2 OT -0.834000 15.9994 0
+ 5821 WT1 3462 TIP3 H1 HT 0.417000 1.0080 0
+ 5822 WT1 3462 TIP3 H2 HT 0.417000 1.0080 0
+ 5823 WT1 3465 TIP3 OH2 OT -0.834000 15.9994 0
+ 5824 WT1 3465 TIP3 H1 HT 0.417000 1.0080 0
+ 5825 WT1 3465 TIP3 H2 HT 0.417000 1.0080 0
+ 5826 WT1 3466 TIP3 OH2 OT -0.834000 15.9994 0
+ 5827 WT1 3466 TIP3 H1 HT 0.417000 1.0080 0
+ 5828 WT1 3466 TIP3 H2 HT 0.417000 1.0080 0
+ 5829 WT1 3467 TIP3 OH2 OT -0.834000 15.9994 0
+ 5830 WT1 3467 TIP3 H1 HT 0.417000 1.0080 0
+ 5831 WT1 3467 TIP3 H2 HT 0.417000 1.0080 0
+ 5832 WT1 3469 TIP3 OH2 OT -0.834000 15.9994 0
+ 5833 WT1 3469 TIP3 H1 HT 0.417000 1.0080 0
+ 5834 WT1 3469 TIP3 H2 HT 0.417000 1.0080 0
+ 5835 WT1 3470 TIP3 OH2 OT -0.834000 15.9994 0
+ 5836 WT1 3470 TIP3 H1 HT 0.417000 1.0080 0
+ 5837 WT1 3470 TIP3 H2 HT 0.417000 1.0080 0
+ 5838 WT1 3471 TIP3 OH2 OT -0.834000 15.9994 0
+ 5839 WT1 3471 TIP3 H1 HT 0.417000 1.0080 0
+ 5840 WT1 3471 TIP3 H2 HT 0.417000 1.0080 0
+ 5841 WT1 3472 TIP3 OH2 OT -0.834000 15.9994 0
+ 5842 WT1 3472 TIP3 H1 HT 0.417000 1.0080 0
+ 5843 WT1 3472 TIP3 H2 HT 0.417000 1.0080 0
+ 5844 WT1 3473 TIP3 OH2 OT -0.834000 15.9994 0
+ 5845 WT1 3473 TIP3 H1 HT 0.417000 1.0080 0
+ 5846 WT1 3473 TIP3 H2 HT 0.417000 1.0080 0
+ 5847 WT1 3474 TIP3 OH2 OT -0.834000 15.9994 0
+ 5848 WT1 3474 TIP3 H1 HT 0.417000 1.0080 0
+ 5849 WT1 3474 TIP3 H2 HT 0.417000 1.0080 0
+ 5850 WT1 3475 TIP3 OH2 OT -0.834000 15.9994 0
+ 5851 WT1 3475 TIP3 H1 HT 0.417000 1.0080 0
+ 5852 WT1 3475 TIP3 H2 HT 0.417000 1.0080 0
+ 5853 WT1 3476 TIP3 OH2 OT -0.834000 15.9994 0
+ 5854 WT1 3476 TIP3 H1 HT 0.417000 1.0080 0
+ 5855 WT1 3476 TIP3 H2 HT 0.417000 1.0080 0
+ 5856 WT1 3478 TIP3 OH2 OT -0.834000 15.9994 0
+ 5857 WT1 3478 TIP3 H1 HT 0.417000 1.0080 0
+ 5858 WT1 3478 TIP3 H2 HT 0.417000 1.0080 0
+ 5859 WT1 3479 TIP3 OH2 OT -0.834000 15.9994 0
+ 5860 WT1 3479 TIP3 H1 HT 0.417000 1.0080 0
+ 5861 WT1 3479 TIP3 H2 HT 0.417000 1.0080 0
+ 5862 WT1 3484 TIP3 OH2 OT -0.834000 15.9994 0
+ 5863 WT1 3484 TIP3 H1 HT 0.417000 1.0080 0
+ 5864 WT1 3484 TIP3 H2 HT 0.417000 1.0080 0
+ 5865 WT1 3486 TIP3 OH2 OT -0.834000 15.9994 0
+ 5866 WT1 3486 TIP3 H1 HT 0.417000 1.0080 0
+ 5867 WT1 3486 TIP3 H2 HT 0.417000 1.0080 0
+ 5868 WT1 3488 TIP3 OH2 OT -0.834000 15.9994 0
+ 5869 WT1 3488 TIP3 H1 HT 0.417000 1.0080 0
+ 5870 WT1 3488 TIP3 H2 HT 0.417000 1.0080 0
+ 5871 WT1 3489 TIP3 OH2 OT -0.834000 15.9994 0
+ 5872 WT1 3489 TIP3 H1 HT 0.417000 1.0080 0
+ 5873 WT1 3489 TIP3 H2 HT 0.417000 1.0080 0
+ 5874 WT1 3490 TIP3 OH2 OT -0.834000 15.9994 0
+ 5875 WT1 3490 TIP3 H1 HT 0.417000 1.0080 0
+ 5876 WT1 3490 TIP3 H2 HT 0.417000 1.0080 0
+ 5877 WT1 3491 TIP3 OH2 OT -0.834000 15.9994 0
+ 5878 WT1 3491 TIP3 H1 HT 0.417000 1.0080 0
+ 5879 WT1 3491 TIP3 H2 HT 0.417000 1.0080 0
+ 5880 WT1 3492 TIP3 OH2 OT -0.834000 15.9994 0
+ 5881 WT1 3492 TIP3 H1 HT 0.417000 1.0080 0
+ 5882 WT1 3492 TIP3 H2 HT 0.417000 1.0080 0
+ 5883 WT1 3493 TIP3 OH2 OT -0.834000 15.9994 0
+ 5884 WT1 3493 TIP3 H1 HT 0.417000 1.0080 0
+ 5885 WT1 3493 TIP3 H2 HT 0.417000 1.0080 0
+ 5886 WT1 3494 TIP3 OH2 OT -0.834000 15.9994 0
+ 5887 WT1 3494 TIP3 H1 HT 0.417000 1.0080 0
+ 5888 WT1 3494 TIP3 H2 HT 0.417000 1.0080 0
+ 5889 WT1 3495 TIP3 OH2 OT -0.834000 15.9994 0
+ 5890 WT1 3495 TIP3 H1 HT 0.417000 1.0080 0
+ 5891 WT1 3495 TIP3 H2 HT 0.417000 1.0080 0
+ 5892 WT1 3496 TIP3 OH2 OT -0.834000 15.9994 0
+ 5893 WT1 3496 TIP3 H1 HT 0.417000 1.0080 0
+ 5894 WT1 3496 TIP3 H2 HT 0.417000 1.0080 0
+ 5895 WT1 3497 TIP3 OH2 OT -0.834000 15.9994 0
+ 5896 WT1 3497 TIP3 H1 HT 0.417000 1.0080 0
+ 5897 WT1 3497 TIP3 H2 HT 0.417000 1.0080 0
+ 5898 WT1 3498 TIP3 OH2 OT -0.834000 15.9994 0
+ 5899 WT1 3498 TIP3 H1 HT 0.417000 1.0080 0
+ 5900 WT1 3498 TIP3 H2 HT 0.417000 1.0080 0
+ 5901 WT1 3499 TIP3 OH2 OT -0.834000 15.9994 0
+ 5902 WT1 3499 TIP3 H1 HT 0.417000 1.0080 0
+ 5903 WT1 3499 TIP3 H2 HT 0.417000 1.0080 0
+ 5904 WT1 3500 TIP3 OH2 OT -0.834000 15.9994 0
+ 5905 WT1 3500 TIP3 H1 HT 0.417000 1.0080 0
+ 5906 WT1 3500 TIP3 H2 HT 0.417000 1.0080 0
+ 5907 WT1 3502 TIP3 OH2 OT -0.834000 15.9994 0
+ 5908 WT1 3502 TIP3 H1 HT 0.417000 1.0080 0
+ 5909 WT1 3502 TIP3 H2 HT 0.417000 1.0080 0
+ 5910 WT1 3503 TIP3 OH2 OT -0.834000 15.9994 0
+ 5911 WT1 3503 TIP3 H1 HT 0.417000 1.0080 0
+ 5912 WT1 3503 TIP3 H2 HT 0.417000 1.0080 0
+ 5913 WT1 3504 TIP3 OH2 OT -0.834000 15.9994 0
+ 5914 WT1 3504 TIP3 H1 HT 0.417000 1.0080 0
+ 5915 WT1 3504 TIP3 H2 HT 0.417000 1.0080 0
+ 5916 WT1 3508 TIP3 OH2 OT -0.834000 15.9994 0
+ 5917 WT1 3508 TIP3 H1 HT 0.417000 1.0080 0
+ 5918 WT1 3508 TIP3 H2 HT 0.417000 1.0080 0
+ 5919 WT1 3510 TIP3 OH2 OT -0.834000 15.9994 0
+ 5920 WT1 3510 TIP3 H1 HT 0.417000 1.0080 0
+ 5921 WT1 3510 TIP3 H2 HT 0.417000 1.0080 0
+ 5922 WT1 3511 TIP3 OH2 OT -0.834000 15.9994 0
+ 5923 WT1 3511 TIP3 H1 HT 0.417000 1.0080 0
+ 5924 WT1 3511 TIP3 H2 HT 0.417000 1.0080 0
+ 5925 WT1 3512 TIP3 OH2 OT -0.834000 15.9994 0
+ 5926 WT1 3512 TIP3 H1 HT 0.417000 1.0080 0
+ 5927 WT1 3512 TIP3 H2 HT 0.417000 1.0080 0
+ 5928 WT1 3513 TIP3 OH2 OT -0.834000 15.9994 0
+ 5929 WT1 3513 TIP3 H1 HT 0.417000 1.0080 0
+ 5930 WT1 3513 TIP3 H2 HT 0.417000 1.0080 0
+ 5931 WT1 3515 TIP3 OH2 OT -0.834000 15.9994 0
+ 5932 WT1 3515 TIP3 H1 HT 0.417000 1.0080 0
+ 5933 WT1 3515 TIP3 H2 HT 0.417000 1.0080 0
+ 5934 WT1 3516 TIP3 OH2 OT -0.834000 15.9994 0
+ 5935 WT1 3516 TIP3 H1 HT 0.417000 1.0080 0
+ 5936 WT1 3516 TIP3 H2 HT 0.417000 1.0080 0
+ 5937 WT1 3517 TIP3 OH2 OT -0.834000 15.9994 0
+ 5938 WT1 3517 TIP3 H1 HT 0.417000 1.0080 0
+ 5939 WT1 3517 TIP3 H2 HT 0.417000 1.0080 0
+ 5940 WT1 3519 TIP3 OH2 OT -0.834000 15.9994 0
+ 5941 WT1 3519 TIP3 H1 HT 0.417000 1.0080 0
+ 5942 WT1 3519 TIP3 H2 HT 0.417000 1.0080 0
+ 5943 WT1 3520 TIP3 OH2 OT -0.834000 15.9994 0
+ 5944 WT1 3520 TIP3 H1 HT 0.417000 1.0080 0
+ 5945 WT1 3520 TIP3 H2 HT 0.417000 1.0080 0
+ 5946 WT1 3526 TIP3 OH2 OT -0.834000 15.9994 0
+ 5947 WT1 3526 TIP3 H1 HT 0.417000 1.0080 0
+ 5948 WT1 3526 TIP3 H2 HT 0.417000 1.0080 0
+ 5949 WT1 3527 TIP3 OH2 OT -0.834000 15.9994 0
+ 5950 WT1 3527 TIP3 H1 HT 0.417000 1.0080 0
+ 5951 WT1 3527 TIP3 H2 HT 0.417000 1.0080 0
+ 5952 WT1 3530 TIP3 OH2 OT -0.834000 15.9994 0
+ 5953 WT1 3530 TIP3 H1 HT 0.417000 1.0080 0
+ 5954 WT1 3530 TIP3 H2 HT 0.417000 1.0080 0
+ 5955 WT1 3532 TIP3 OH2 OT -0.834000 15.9994 0
+ 5956 WT1 3532 TIP3 H1 HT 0.417000 1.0080 0
+ 5957 WT1 3532 TIP3 H2 HT 0.417000 1.0080 0
+ 5958 WT1 3533 TIP3 OH2 OT -0.834000 15.9994 0
+ 5959 WT1 3533 TIP3 H1 HT 0.417000 1.0080 0
+ 5960 WT1 3533 TIP3 H2 HT 0.417000 1.0080 0
+ 5961 WT1 3534 TIP3 OH2 OT -0.834000 15.9994 0
+ 5962 WT1 3534 TIP3 H1 HT 0.417000 1.0080 0
+ 5963 WT1 3534 TIP3 H2 HT 0.417000 1.0080 0
+ 5964 WT1 3535 TIP3 OH2 OT -0.834000 15.9994 0
+ 5965 WT1 3535 TIP3 H1 HT 0.417000 1.0080 0
+ 5966 WT1 3535 TIP3 H2 HT 0.417000 1.0080 0
+ 5967 WT1 3536 TIP3 OH2 OT -0.834000 15.9994 0
+ 5968 WT1 3536 TIP3 H1 HT 0.417000 1.0080 0
+ 5969 WT1 3536 TIP3 H2 HT 0.417000 1.0080 0
+ 5970 WT1 3537 TIP3 OH2 OT -0.834000 15.9994 0
+ 5971 WT1 3537 TIP3 H1 HT 0.417000 1.0080 0
+ 5972 WT1 3537 TIP3 H2 HT 0.417000 1.0080 0
+ 5973 WT1 3538 TIP3 OH2 OT -0.834000 15.9994 0
+ 5974 WT1 3538 TIP3 H1 HT 0.417000 1.0080 0
+ 5975 WT1 3538 TIP3 H2 HT 0.417000 1.0080 0
+ 5976 WT1 3539 TIP3 OH2 OT -0.834000 15.9994 0
+ 5977 WT1 3539 TIP3 H1 HT 0.417000 1.0080 0
+ 5978 WT1 3539 TIP3 H2 HT 0.417000 1.0080 0
+ 5979 WT1 3540 TIP3 OH2 OT -0.834000 15.9994 0
+ 5980 WT1 3540 TIP3 H1 HT 0.417000 1.0080 0
+ 5981 WT1 3540 TIP3 H2 HT 0.417000 1.0080 0
+ 5982 WT1 3541 TIP3 OH2 OT -0.834000 15.9994 0
+ 5983 WT1 3541 TIP3 H1 HT 0.417000 1.0080 0
+ 5984 WT1 3541 TIP3 H2 HT 0.417000 1.0080 0
+ 5985 WT1 3542 TIP3 OH2 OT -0.834000 15.9994 0
+ 5986 WT1 3542 TIP3 H1 HT 0.417000 1.0080 0
+ 5987 WT1 3542 TIP3 H2 HT 0.417000 1.0080 0
+ 5988 WT1 3545 TIP3 OH2 OT -0.834000 15.9994 0
+ 5989 WT1 3545 TIP3 H1 HT 0.417000 1.0080 0
+ 5990 WT1 3545 TIP3 H2 HT 0.417000 1.0080 0
+ 5991 WT1 3548 TIP3 OH2 OT -0.834000 15.9994 0
+ 5992 WT1 3548 TIP3 H1 HT 0.417000 1.0080 0
+ 5993 WT1 3548 TIP3 H2 HT 0.417000 1.0080 0
+ 5994 WT1 3549 TIP3 OH2 OT -0.834000 15.9994 0
+ 5995 WT1 3549 TIP3 H1 HT 0.417000 1.0080 0
+ 5996 WT1 3549 TIP3 H2 HT 0.417000 1.0080 0
+ 5997 WT1 3550 TIP3 OH2 OT -0.834000 15.9994 0
+ 5998 WT1 3550 TIP3 H1 HT 0.417000 1.0080 0
+ 5999 WT1 3550 TIP3 H2 HT 0.417000 1.0080 0
+ 6000 WT1 3554 TIP3 OH2 OT -0.834000 15.9994 0
+ 6001 WT1 3554 TIP3 H1 HT 0.417000 1.0080 0
+ 6002 WT1 3554 TIP3 H2 HT 0.417000 1.0080 0
+ 6003 WT1 3555 TIP3 OH2 OT -0.834000 15.9994 0
+ 6004 WT1 3555 TIP3 H1 HT 0.417000 1.0080 0
+ 6005 WT1 3555 TIP3 H2 HT 0.417000 1.0080 0
+ 6006 WT1 3556 TIP3 OH2 OT -0.834000 15.9994 0
+ 6007 WT1 3556 TIP3 H1 HT 0.417000 1.0080 0
+ 6008 WT1 3556 TIP3 H2 HT 0.417000 1.0080 0
+ 6009 WT1 3558 TIP3 OH2 OT -0.834000 15.9994 0
+ 6010 WT1 3558 TIP3 H1 HT 0.417000 1.0080 0
+ 6011 WT1 3558 TIP3 H2 HT 0.417000 1.0080 0
+ 6012 WT1 3559 TIP3 OH2 OT -0.834000 15.9994 0
+ 6013 WT1 3559 TIP3 H1 HT 0.417000 1.0080 0
+ 6014 WT1 3559 TIP3 H2 HT 0.417000 1.0080 0
+ 6015 WT1 3560 TIP3 OH2 OT -0.834000 15.9994 0
+ 6016 WT1 3560 TIP3 H1 HT 0.417000 1.0080 0
+ 6017 WT1 3560 TIP3 H2 HT 0.417000 1.0080 0
+ 6018 WT1 3561 TIP3 OH2 OT -0.834000 15.9994 0
+ 6019 WT1 3561 TIP3 H1 HT 0.417000 1.0080 0
+ 6020 WT1 3561 TIP3 H2 HT 0.417000 1.0080 0
+ 6021 WT1 3562 TIP3 OH2 OT -0.834000 15.9994 0
+ 6022 WT1 3562 TIP3 H1 HT 0.417000 1.0080 0
+ 6023 WT1 3562 TIP3 H2 HT 0.417000 1.0080 0
+ 6024 WT1 3563 TIP3 OH2 OT -0.834000 15.9994 0
+ 6025 WT1 3563 TIP3 H1 HT 0.417000 1.0080 0
+ 6026 WT1 3563 TIP3 H2 HT 0.417000 1.0080 0
+ 6027 WT1 3565 TIP3 OH2 OT -0.834000 15.9994 0
+ 6028 WT1 3565 TIP3 H1 HT 0.417000 1.0080 0
+ 6029 WT1 3565 TIP3 H2 HT 0.417000 1.0080 0
+ 6030 WT1 3569 TIP3 OH2 OT -0.834000 15.9994 0
+ 6031 WT1 3569 TIP3 H1 HT 0.417000 1.0080 0
+ 6032 WT1 3569 TIP3 H2 HT 0.417000 1.0080 0
+ 6033 WT1 3570 TIP3 OH2 OT -0.834000 15.9994 0
+ 6034 WT1 3570 TIP3 H1 HT 0.417000 1.0080 0
+ 6035 WT1 3570 TIP3 H2 HT 0.417000 1.0080 0
+ 6036 WT1 3572 TIP3 OH2 OT -0.834000 15.9994 0
+ 6037 WT1 3572 TIP3 H1 HT 0.417000 1.0080 0
+ 6038 WT1 3572 TIP3 H2 HT 0.417000 1.0080 0
+ 6039 WT1 3573 TIP3 OH2 OT -0.834000 15.9994 0
+ 6040 WT1 3573 TIP3 H1 HT 0.417000 1.0080 0
+ 6041 WT1 3573 TIP3 H2 HT 0.417000 1.0080 0
+ 6042 WT1 3575 TIP3 OH2 OT -0.834000 15.9994 0
+ 6043 WT1 3575 TIP3 H1 HT 0.417000 1.0080 0
+ 6044 WT1 3575 TIP3 H2 HT 0.417000 1.0080 0
+ 6045 WT1 3576 TIP3 OH2 OT -0.834000 15.9994 0
+ 6046 WT1 3576 TIP3 H1 HT 0.417000 1.0080 0
+ 6047 WT1 3576 TIP3 H2 HT 0.417000 1.0080 0
+ 6048 WT1 3578 TIP3 OH2 OT -0.834000 15.9994 0
+ 6049 WT1 3578 TIP3 H1 HT 0.417000 1.0080 0
+ 6050 WT1 3578 TIP3 H2 HT 0.417000 1.0080 0
+ 6051 WT1 3579 TIP3 OH2 OT -0.834000 15.9994 0
+ 6052 WT1 3579 TIP3 H1 HT 0.417000 1.0080 0
+ 6053 WT1 3579 TIP3 H2 HT 0.417000 1.0080 0
+ 6054 WT1 3580 TIP3 OH2 OT -0.834000 15.9994 0
+ 6055 WT1 3580 TIP3 H1 HT 0.417000 1.0080 0
+ 6056 WT1 3580 TIP3 H2 HT 0.417000 1.0080 0
+ 6057 WT1 3581 TIP3 OH2 OT -0.834000 15.9994 0
+ 6058 WT1 3581 TIP3 H1 HT 0.417000 1.0080 0
+ 6059 WT1 3581 TIP3 H2 HT 0.417000 1.0080 0
+ 6060 WT1 3582 TIP3 OH2 OT -0.834000 15.9994 0
+ 6061 WT1 3582 TIP3 H1 HT 0.417000 1.0080 0
+ 6062 WT1 3582 TIP3 H2 HT 0.417000 1.0080 0
+ 6063 WT1 3583 TIP3 OH2 OT -0.834000 15.9994 0
+ 6064 WT1 3583 TIP3 H1 HT 0.417000 1.0080 0
+ 6065 WT1 3583 TIP3 H2 HT 0.417000 1.0080 0
+ 6066 WT1 3586 TIP3 OH2 OT -0.834000 15.9994 0
+ 6067 WT1 3586 TIP3 H1 HT 0.417000 1.0080 0
+ 6068 WT1 3586 TIP3 H2 HT 0.417000 1.0080 0
+ 6069 WT1 3591 TIP3 OH2 OT -0.834000 15.9994 0
+ 6070 WT1 3591 TIP3 H1 HT 0.417000 1.0080 0
+ 6071 WT1 3591 TIP3 H2 HT 0.417000 1.0080 0
+ 6072 WT1 3592 TIP3 OH2 OT -0.834000 15.9994 0
+ 6073 WT1 3592 TIP3 H1 HT 0.417000 1.0080 0
+ 6074 WT1 3592 TIP3 H2 HT 0.417000 1.0080 0
+ 6075 WT1 3593 TIP3 OH2 OT -0.834000 15.9994 0
+ 6076 WT1 3593 TIP3 H1 HT 0.417000 1.0080 0
+ 6077 WT1 3593 TIP3 H2 HT 0.417000 1.0080 0
+ 6078 WT1 3594 TIP3 OH2 OT -0.834000 15.9994 0
+ 6079 WT1 3594 TIP3 H1 HT 0.417000 1.0080 0
+ 6080 WT1 3594 TIP3 H2 HT 0.417000 1.0080 0
+ 6081 WT1 3595 TIP3 OH2 OT -0.834000 15.9994 0
+ 6082 WT1 3595 TIP3 H1 HT 0.417000 1.0080 0
+ 6083 WT1 3595 TIP3 H2 HT 0.417000 1.0080 0
+ 6084 WT1 3596 TIP3 OH2 OT -0.834000 15.9994 0
+ 6085 WT1 3596 TIP3 H1 HT 0.417000 1.0080 0
+ 6086 WT1 3596 TIP3 H2 HT 0.417000 1.0080 0
+ 6087 WT1 3597 TIP3 OH2 OT -0.834000 15.9994 0
+ 6088 WT1 3597 TIP3 H1 HT 0.417000 1.0080 0
+ 6089 WT1 3597 TIP3 H2 HT 0.417000 1.0080 0
+ 6090 WT1 3598 TIP3 OH2 OT -0.834000 15.9994 0
+ 6091 WT1 3598 TIP3 H1 HT 0.417000 1.0080 0
+ 6092 WT1 3598 TIP3 H2 HT 0.417000 1.0080 0
+ 6093 WT1 3599 TIP3 OH2 OT -0.834000 15.9994 0
+ 6094 WT1 3599 TIP3 H1 HT 0.417000 1.0080 0
+ 6095 WT1 3599 TIP3 H2 HT 0.417000 1.0080 0
+ 6096 WT1 3601 TIP3 OH2 OT -0.834000 15.9994 0
+ 6097 WT1 3601 TIP3 H1 HT 0.417000 1.0080 0
+ 6098 WT1 3601 TIP3 H2 HT 0.417000 1.0080 0
+ 6099 WT1 3602 TIP3 OH2 OT -0.834000 15.9994 0
+ 6100 WT1 3602 TIP3 H1 HT 0.417000 1.0080 0
+ 6101 WT1 3602 TIP3 H2 HT 0.417000 1.0080 0
+ 6102 WT1 3603 TIP3 OH2 OT -0.834000 15.9994 0
+ 6103 WT1 3603 TIP3 H1 HT 0.417000 1.0080 0
+ 6104 WT1 3603 TIP3 H2 HT 0.417000 1.0080 0
+ 6105 WT1 3604 TIP3 OH2 OT -0.834000 15.9994 0
+ 6106 WT1 3604 TIP3 H1 HT 0.417000 1.0080 0
+ 6107 WT1 3604 TIP3 H2 HT 0.417000 1.0080 0
+ 6108 WT1 3612 TIP3 OH2 OT -0.834000 15.9994 0
+ 6109 WT1 3612 TIP3 H1 HT 0.417000 1.0080 0
+ 6110 WT1 3612 TIP3 H2 HT 0.417000 1.0080 0
+ 6111 WT1 3614 TIP3 OH2 OT -0.834000 15.9994 0
+ 6112 WT1 3614 TIP3 H1 HT 0.417000 1.0080 0
+ 6113 WT1 3614 TIP3 H2 HT 0.417000 1.0080 0
+ 6114 WT1 3615 TIP3 OH2 OT -0.834000 15.9994 0
+ 6115 WT1 3615 TIP3 H1 HT 0.417000 1.0080 0
+ 6116 WT1 3615 TIP3 H2 HT 0.417000 1.0080 0
+ 6117 WT1 3616 TIP3 OH2 OT -0.834000 15.9994 0
+ 6118 WT1 3616 TIP3 H1 HT 0.417000 1.0080 0
+ 6119 WT1 3616 TIP3 H2 HT 0.417000 1.0080 0
+ 6120 WT1 3617 TIP3 OH2 OT -0.834000 15.9994 0
+ 6121 WT1 3617 TIP3 H1 HT 0.417000 1.0080 0
+ 6122 WT1 3617 TIP3 H2 HT 0.417000 1.0080 0
+ 6123 WT1 3618 TIP3 OH2 OT -0.834000 15.9994 0
+ 6124 WT1 3618 TIP3 H1 HT 0.417000 1.0080 0
+ 6125 WT1 3618 TIP3 H2 HT 0.417000 1.0080 0
+ 6126 WT1 3619 TIP3 OH2 OT -0.834000 15.9994 0
+ 6127 WT1 3619 TIP3 H1 HT 0.417000 1.0080 0
+ 6128 WT1 3619 TIP3 H2 HT 0.417000 1.0080 0
+ 6129 WT1 3620 TIP3 OH2 OT -0.834000 15.9994 0
+ 6130 WT1 3620 TIP3 H1 HT 0.417000 1.0080 0
+ 6131 WT1 3620 TIP3 H2 HT 0.417000 1.0080 0
+ 6132 WT1 3621 TIP3 OH2 OT -0.834000 15.9994 0
+ 6133 WT1 3621 TIP3 H1 HT 0.417000 1.0080 0
+ 6134 WT1 3621 TIP3 H2 HT 0.417000 1.0080 0
+ 6135 WT1 3622 TIP3 OH2 OT -0.834000 15.9994 0
+ 6136 WT1 3622 TIP3 H1 HT 0.417000 1.0080 0
+ 6137 WT1 3622 TIP3 H2 HT 0.417000 1.0080 0
+ 6138 WT1 3623 TIP3 OH2 OT -0.834000 15.9994 0
+ 6139 WT1 3623 TIP3 H1 HT 0.417000 1.0080 0
+ 6140 WT1 3623 TIP3 H2 HT 0.417000 1.0080 0
+ 6141 WT1 3625 TIP3 OH2 OT -0.834000 15.9994 0
+ 6142 WT1 3625 TIP3 H1 HT 0.417000 1.0080 0
+ 6143 WT1 3625 TIP3 H2 HT 0.417000 1.0080 0
+ 6144 WT1 3626 TIP3 OH2 OT -0.834000 15.9994 0
+ 6145 WT1 3626 TIP3 H1 HT 0.417000 1.0080 0
+ 6146 WT1 3626 TIP3 H2 HT 0.417000 1.0080 0
+ 6147 WT1 3627 TIP3 OH2 OT -0.834000 15.9994 0
+ 6148 WT1 3627 TIP3 H1 HT 0.417000 1.0080 0
+ 6149 WT1 3627 TIP3 H2 HT 0.417000 1.0080 0
+ 6150 WT1 3628 TIP3 OH2 OT -0.834000 15.9994 0
+ 6151 WT1 3628 TIP3 H1 HT 0.417000 1.0080 0
+ 6152 WT1 3628 TIP3 H2 HT 0.417000 1.0080 0
+ 6153 WT1 3633 TIP3 OH2 OT -0.834000 15.9994 0
+ 6154 WT1 3633 TIP3 H1 HT 0.417000 1.0080 0
+ 6155 WT1 3633 TIP3 H2 HT 0.417000 1.0080 0
+ 6156 WT1 3634 TIP3 OH2 OT -0.834000 15.9994 0
+ 6157 WT1 3634 TIP3 H1 HT 0.417000 1.0080 0
+ 6158 WT1 3634 TIP3 H2 HT 0.417000 1.0080 0
+ 6159 WT1 3636 TIP3 OH2 OT -0.834000 15.9994 0
+ 6160 WT1 3636 TIP3 H1 HT 0.417000 1.0080 0
+ 6161 WT1 3636 TIP3 H2 HT 0.417000 1.0080 0
+ 6162 WT1 3638 TIP3 OH2 OT -0.834000 15.9994 0
+ 6163 WT1 3638 TIP3 H1 HT 0.417000 1.0080 0
+ 6164 WT1 3638 TIP3 H2 HT 0.417000 1.0080 0
+ 6165 WT1 3641 TIP3 OH2 OT -0.834000 15.9994 0
+ 6166 WT1 3641 TIP3 H1 HT 0.417000 1.0080 0
+ 6167 WT1 3641 TIP3 H2 HT 0.417000 1.0080 0
+ 6168 WT1 3642 TIP3 OH2 OT -0.834000 15.9994 0
+ 6169 WT1 3642 TIP3 H1 HT 0.417000 1.0080 0
+ 6170 WT1 3642 TIP3 H2 HT 0.417000 1.0080 0
+ 6171 WT1 3643 TIP3 OH2 OT -0.834000 15.9994 0
+ 6172 WT1 3643 TIP3 H1 HT 0.417000 1.0080 0
+ 6173 WT1 3643 TIP3 H2 HT 0.417000 1.0080 0
+ 6174 WT1 3644 TIP3 OH2 OT -0.834000 15.9994 0
+ 6175 WT1 3644 TIP3 H1 HT 0.417000 1.0080 0
+ 6176 WT1 3644 TIP3 H2 HT 0.417000 1.0080 0
+ 6177 WT1 3645 TIP3 OH2 OT -0.834000 15.9994 0
+ 6178 WT1 3645 TIP3 H1 HT 0.417000 1.0080 0
+ 6179 WT1 3645 TIP3 H2 HT 0.417000 1.0080 0
+ 6180 WT1 3646 TIP3 OH2 OT -0.834000 15.9994 0
+ 6181 WT1 3646 TIP3 H1 HT 0.417000 1.0080 0
+ 6182 WT1 3646 TIP3 H2 HT 0.417000 1.0080 0
+ 6183 WT1 3650 TIP3 OH2 OT -0.834000 15.9994 0
+ 6184 WT1 3650 TIP3 H1 HT 0.417000 1.0080 0
+ 6185 WT1 3650 TIP3 H2 HT 0.417000 1.0080 0
+ 6186 WT1 3651 TIP3 OH2 OT -0.834000 15.9994 0
+ 6187 WT1 3651 TIP3 H1 HT 0.417000 1.0080 0
+ 6188 WT1 3651 TIP3 H2 HT 0.417000 1.0080 0
+ 6189 WT1 3653 TIP3 OH2 OT -0.834000 15.9994 0
+ 6190 WT1 3653 TIP3 H1 HT 0.417000 1.0080 0
+ 6191 WT1 3653 TIP3 H2 HT 0.417000 1.0080 0
+ 6192 WT1 3657 TIP3 OH2 OT -0.834000 15.9994 0
+ 6193 WT1 3657 TIP3 H1 HT 0.417000 1.0080 0
+ 6194 WT1 3657 TIP3 H2 HT 0.417000 1.0080 0
+ 6195 WT1 3658 TIP3 OH2 OT -0.834000 15.9994 0
+ 6196 WT1 3658 TIP3 H1 HT 0.417000 1.0080 0
+ 6197 WT1 3658 TIP3 H2 HT 0.417000 1.0080 0
+ 6198 WT1 3659 TIP3 OH2 OT -0.834000 15.9994 0
+ 6199 WT1 3659 TIP3 H1 HT 0.417000 1.0080 0
+ 6200 WT1 3659 TIP3 H2 HT 0.417000 1.0080 0
+ 6201 WT1 3660 TIP3 OH2 OT -0.834000 15.9994 0
+ 6202 WT1 3660 TIP3 H1 HT 0.417000 1.0080 0
+ 6203 WT1 3660 TIP3 H2 HT 0.417000 1.0080 0
+ 6204 WT1 3661 TIP3 OH2 OT -0.834000 15.9994 0
+ 6205 WT1 3661 TIP3 H1 HT 0.417000 1.0080 0
+ 6206 WT1 3661 TIP3 H2 HT 0.417000 1.0080 0
+ 6207 WT1 3662 TIP3 OH2 OT -0.834000 15.9994 0
+ 6208 WT1 3662 TIP3 H1 HT 0.417000 1.0080 0
+ 6209 WT1 3662 TIP3 H2 HT 0.417000 1.0080 0
+ 6210 WT1 3663 TIP3 OH2 OT -0.834000 15.9994 0
+ 6211 WT1 3663 TIP3 H1 HT 0.417000 1.0080 0
+ 6212 WT1 3663 TIP3 H2 HT 0.417000 1.0080 0
+ 6213 WT1 3664 TIP3 OH2 OT -0.834000 15.9994 0
+ 6214 WT1 3664 TIP3 H1 HT 0.417000 1.0080 0
+ 6215 WT1 3664 TIP3 H2 HT 0.417000 1.0080 0
+ 6216 WT1 3665 TIP3 OH2 OT -0.834000 15.9994 0
+ 6217 WT1 3665 TIP3 H1 HT 0.417000 1.0080 0
+ 6218 WT1 3665 TIP3 H2 HT 0.417000 1.0080 0
+ 6219 WT1 3666 TIP3 OH2 OT -0.834000 15.9994 0
+ 6220 WT1 3666 TIP3 H1 HT 0.417000 1.0080 0
+ 6221 WT1 3666 TIP3 H2 HT 0.417000 1.0080 0
+ 6222 WT1 3667 TIP3 OH2 OT -0.834000 15.9994 0
+ 6223 WT1 3667 TIP3 H1 HT 0.417000 1.0080 0
+ 6224 WT1 3667 TIP3 H2 HT 0.417000 1.0080 0
+ 6225 WT1 3674 TIP3 OH2 OT -0.834000 15.9994 0
+ 6226 WT1 3674 TIP3 H1 HT 0.417000 1.0080 0
+ 6227 WT1 3674 TIP3 H2 HT 0.417000 1.0080 0
+ 6228 WT1 3677 TIP3 OH2 OT -0.834000 15.9994 0
+ 6229 WT1 3677 TIP3 H1 HT 0.417000 1.0080 0
+ 6230 WT1 3677 TIP3 H2 HT 0.417000 1.0080 0
+ 6231 WT1 3678 TIP3 OH2 OT -0.834000 15.9994 0
+ 6232 WT1 3678 TIP3 H1 HT 0.417000 1.0080 0
+ 6233 WT1 3678 TIP3 H2 HT 0.417000 1.0080 0
+ 6234 WT1 3680 TIP3 OH2 OT -0.834000 15.9994 0
+ 6235 WT1 3680 TIP3 H1 HT 0.417000 1.0080 0
+ 6236 WT1 3680 TIP3 H2 HT 0.417000 1.0080 0
+ 6237 WT1 3681 TIP3 OH2 OT -0.834000 15.9994 0
+ 6238 WT1 3681 TIP3 H1 HT 0.417000 1.0080 0
+ 6239 WT1 3681 TIP3 H2 HT 0.417000 1.0080 0
+ 6240 WT1 3682 TIP3 OH2 OT -0.834000 15.9994 0
+ 6241 WT1 3682 TIP3 H1 HT 0.417000 1.0080 0
+ 6242 WT1 3682 TIP3 H2 HT 0.417000 1.0080 0
+ 6243 WT1 3683 TIP3 OH2 OT -0.834000 15.9994 0
+ 6244 WT1 3683 TIP3 H1 HT 0.417000 1.0080 0
+ 6245 WT1 3683 TIP3 H2 HT 0.417000 1.0080 0
+ 6246 WT1 3685 TIP3 OH2 OT -0.834000 15.9994 0
+ 6247 WT1 3685 TIP3 H1 HT 0.417000 1.0080 0
+ 6248 WT1 3685 TIP3 H2 HT 0.417000 1.0080 0
+ 6249 WT1 3686 TIP3 OH2 OT -0.834000 15.9994 0
+ 6250 WT1 3686 TIP3 H1 HT 0.417000 1.0080 0
+ 6251 WT1 3686 TIP3 H2 HT 0.417000 1.0080 0
+ 6252 WT1 3687 TIP3 OH2 OT -0.834000 15.9994 0
+ 6253 WT1 3687 TIP3 H1 HT 0.417000 1.0080 0
+ 6254 WT1 3687 TIP3 H2 HT 0.417000 1.0080 0
+ 6255 WT1 3690 TIP3 OH2 OT -0.834000 15.9994 0
+ 6256 WT1 3690 TIP3 H1 HT 0.417000 1.0080 0
+ 6257 WT1 3690 TIP3 H2 HT 0.417000 1.0080 0
+ 6258 WT1 3693 TIP3 OH2 OT -0.834000 15.9994 0
+ 6259 WT1 3693 TIP3 H1 HT 0.417000 1.0080 0
+ 6260 WT1 3693 TIP3 H2 HT 0.417000 1.0080 0
+ 6261 WT1 3697 TIP3 OH2 OT -0.834000 15.9994 0
+ 6262 WT1 3697 TIP3 H1 HT 0.417000 1.0080 0
+ 6263 WT1 3697 TIP3 H2 HT 0.417000 1.0080 0
+ 6264 WT1 3698 TIP3 OH2 OT -0.834000 15.9994 0
+ 6265 WT1 3698 TIP3 H1 HT 0.417000 1.0080 0
+ 6266 WT1 3698 TIP3 H2 HT 0.417000 1.0080 0
+ 6267 WT1 3700 TIP3 OH2 OT -0.834000 15.9994 0
+ 6268 WT1 3700 TIP3 H1 HT 0.417000 1.0080 0
+ 6269 WT1 3700 TIP3 H2 HT 0.417000 1.0080 0
+ 6270 WT1 3701 TIP3 OH2 OT -0.834000 15.9994 0
+ 6271 WT1 3701 TIP3 H1 HT 0.417000 1.0080 0
+ 6272 WT1 3701 TIP3 H2 HT 0.417000 1.0080 0
+ 6273 WT1 3702 TIP3 OH2 OT -0.834000 15.9994 0
+ 6274 WT1 3702 TIP3 H1 HT 0.417000 1.0080 0
+ 6275 WT1 3702 TIP3 H2 HT 0.417000 1.0080 0
+ 6276 WT1 3704 TIP3 OH2 OT -0.834000 15.9994 0
+ 6277 WT1 3704 TIP3 H1 HT 0.417000 1.0080 0
+ 6278 WT1 3704 TIP3 H2 HT 0.417000 1.0080 0
+ 6279 WT1 3705 TIP3 OH2 OT -0.834000 15.9994 0
+ 6280 WT1 3705 TIP3 H1 HT 0.417000 1.0080 0
+ 6281 WT1 3705 TIP3 H2 HT 0.417000 1.0080 0
+ 6282 WT1 3706 TIP3 OH2 OT -0.834000 15.9994 0
+ 6283 WT1 3706 TIP3 H1 HT 0.417000 1.0080 0
+ 6284 WT1 3706 TIP3 H2 HT 0.417000 1.0080 0
+ 6285 WT1 3708 TIP3 OH2 OT -0.834000 15.9994 0
+ 6286 WT1 3708 TIP3 H1 HT 0.417000 1.0080 0
+ 6287 WT1 3708 TIP3 H2 HT 0.417000 1.0080 0
+ 6288 WT1 3709 TIP3 OH2 OT -0.834000 15.9994 0
+ 6289 WT1 3709 TIP3 H1 HT 0.417000 1.0080 0
+ 6290 WT1 3709 TIP3 H2 HT 0.417000 1.0080 0
+ 6291 WT1 3710 TIP3 OH2 OT -0.834000 15.9994 0
+ 6292 WT1 3710 TIP3 H1 HT 0.417000 1.0080 0
+ 6293 WT1 3710 TIP3 H2 HT 0.417000 1.0080 0
+ 6294 WT1 3713 TIP3 OH2 OT -0.834000 15.9994 0
+ 6295 WT1 3713 TIP3 H1 HT 0.417000 1.0080 0
+ 6296 WT1 3713 TIP3 H2 HT 0.417000 1.0080 0
+ 6297 WT1 3714 TIP3 OH2 OT -0.834000 15.9994 0
+ 6298 WT1 3714 TIP3 H1 HT 0.417000 1.0080 0
+ 6299 WT1 3714 TIP3 H2 HT 0.417000 1.0080 0
+ 6300 WT1 3716 TIP3 OH2 OT -0.834000 15.9994 0
+ 6301 WT1 3716 TIP3 H1 HT 0.417000 1.0080 0
+ 6302 WT1 3716 TIP3 H2 HT 0.417000 1.0080 0
+ 6303 WT1 3718 TIP3 OH2 OT -0.834000 15.9994 0
+ 6304 WT1 3718 TIP3 H1 HT 0.417000 1.0080 0
+ 6305 WT1 3718 TIP3 H2 HT 0.417000 1.0080 0
+ 6306 WT1 3719 TIP3 OH2 OT -0.834000 15.9994 0
+ 6307 WT1 3719 TIP3 H1 HT 0.417000 1.0080 0
+ 6308 WT1 3719 TIP3 H2 HT 0.417000 1.0080 0
+ 6309 WT1 3720 TIP3 OH2 OT -0.834000 15.9994 0
+ 6310 WT1 3720 TIP3 H1 HT 0.417000 1.0080 0
+ 6311 WT1 3720 TIP3 H2 HT 0.417000 1.0080 0
+ 6312 WT1 3721 TIP3 OH2 OT -0.834000 15.9994 0
+ 6313 WT1 3721 TIP3 H1 HT 0.417000 1.0080 0
+ 6314 WT1 3721 TIP3 H2 HT 0.417000 1.0080 0
+ 6315 WT1 3722 TIP3 OH2 OT -0.834000 15.9994 0
+ 6316 WT1 3722 TIP3 H1 HT 0.417000 1.0080 0
+ 6317 WT1 3722 TIP3 H2 HT 0.417000 1.0080 0
+ 6318 WT1 3723 TIP3 OH2 OT -0.834000 15.9994 0
+ 6319 WT1 3723 TIP3 H1 HT 0.417000 1.0080 0
+ 6320 WT1 3723 TIP3 H2 HT 0.417000 1.0080 0
+ 6321 WT1 3726 TIP3 OH2 OT -0.834000 15.9994 0
+ 6322 WT1 3726 TIP3 H1 HT 0.417000 1.0080 0
+ 6323 WT1 3726 TIP3 H2 HT 0.417000 1.0080 0
+ 6324 WT1 3727 TIP3 OH2 OT -0.834000 15.9994 0
+ 6325 WT1 3727 TIP3 H1 HT 0.417000 1.0080 0
+ 6326 WT1 3727 TIP3 H2 HT 0.417000 1.0080 0
+ 6327 WT1 3728 TIP3 OH2 OT -0.834000 15.9994 0
+ 6328 WT1 3728 TIP3 H1 HT 0.417000 1.0080 0
+ 6329 WT1 3728 TIP3 H2 HT 0.417000 1.0080 0
+ 6330 WT1 3729 TIP3 OH2 OT -0.834000 15.9994 0
+ 6331 WT1 3729 TIP3 H1 HT 0.417000 1.0080 0
+ 6332 WT1 3729 TIP3 H2 HT 0.417000 1.0080 0
+ 6333 WT1 3730 TIP3 OH2 OT -0.834000 15.9994 0
+ 6334 WT1 3730 TIP3 H1 HT 0.417000 1.0080 0
+ 6335 WT1 3730 TIP3 H2 HT 0.417000 1.0080 0
+ 6336 WT1 3731 TIP3 OH2 OT -0.834000 15.9994 0
+ 6337 WT1 3731 TIP3 H1 HT 0.417000 1.0080 0
+ 6338 WT1 3731 TIP3 H2 HT 0.417000 1.0080 0
+ 6339 WT1 3732 TIP3 OH2 OT -0.834000 15.9994 0
+ 6340 WT1 3732 TIP3 H1 HT 0.417000 1.0080 0
+ 6341 WT1 3732 TIP3 H2 HT 0.417000 1.0080 0
+ 6342 WT1 3733 TIP3 OH2 OT -0.834000 15.9994 0
+ 6343 WT1 3733 TIP3 H1 HT 0.417000 1.0080 0
+ 6344 WT1 3733 TIP3 H2 HT 0.417000 1.0080 0
+ 6345 WT1 3736 TIP3 OH2 OT -0.834000 15.9994 0
+ 6346 WT1 3736 TIP3 H1 HT 0.417000 1.0080 0
+ 6347 WT1 3736 TIP3 H2 HT 0.417000 1.0080 0
+ 6348 WT1 3737 TIP3 OH2 OT -0.834000 15.9994 0
+ 6349 WT1 3737 TIP3 H1 HT 0.417000 1.0080 0
+ 6350 WT1 3737 TIP3 H2 HT 0.417000 1.0080 0
+ 6351 WT1 3740 TIP3 OH2 OT -0.834000 15.9994 0
+ 6352 WT1 3740 TIP3 H1 HT 0.417000 1.0080 0
+ 6353 WT1 3740 TIP3 H2 HT 0.417000 1.0080 0
+ 6354 WT1 3746 TIP3 OH2 OT -0.834000 15.9994 0
+ 6355 WT1 3746 TIP3 H1 HT 0.417000 1.0080 0
+ 6356 WT1 3746 TIP3 H2 HT 0.417000 1.0080 0
+ 6357 WT1 3747 TIP3 OH2 OT -0.834000 15.9994 0
+ 6358 WT1 3747 TIP3 H1 HT 0.417000 1.0080 0
+ 6359 WT1 3747 TIP3 H2 HT 0.417000 1.0080 0
+ 6360 WT1 3748 TIP3 OH2 OT -0.834000 15.9994 0
+ 6361 WT1 3748 TIP3 H1 HT 0.417000 1.0080 0
+ 6362 WT1 3748 TIP3 H2 HT 0.417000 1.0080 0
+ 6363 WT1 3749 TIP3 OH2 OT -0.834000 15.9994 0
+ 6364 WT1 3749 TIP3 H1 HT 0.417000 1.0080 0
+ 6365 WT1 3749 TIP3 H2 HT 0.417000 1.0080 0
+ 6366 WT1 3750 TIP3 OH2 OT -0.834000 15.9994 0
+ 6367 WT1 3750 TIP3 H1 HT 0.417000 1.0080 0
+ 6368 WT1 3750 TIP3 H2 HT 0.417000 1.0080 0
+ 6369 WT1 3751 TIP3 OH2 OT -0.834000 15.9994 0
+ 6370 WT1 3751 TIP3 H1 HT 0.417000 1.0080 0
+ 6371 WT1 3751 TIP3 H2 HT 0.417000 1.0080 0
+ 6372 WT1 3752 TIP3 OH2 OT -0.834000 15.9994 0
+ 6373 WT1 3752 TIP3 H1 HT 0.417000 1.0080 0
+ 6374 WT1 3752 TIP3 H2 HT 0.417000 1.0080 0
+ 6375 WT1 3753 TIP3 OH2 OT -0.834000 15.9994 0
+ 6376 WT1 3753 TIP3 H1 HT 0.417000 1.0080 0
+ 6377 WT1 3753 TIP3 H2 HT 0.417000 1.0080 0
+ 6378 WT1 3757 TIP3 OH2 OT -0.834000 15.9994 0
+ 6379 WT1 3757 TIP3 H1 HT 0.417000 1.0080 0
+ 6380 WT1 3757 TIP3 H2 HT 0.417000 1.0080 0
+ 6381 WT1 3758 TIP3 OH2 OT -0.834000 15.9994 0
+ 6382 WT1 3758 TIP3 H1 HT 0.417000 1.0080 0
+ 6383 WT1 3758 TIP3 H2 HT 0.417000 1.0080 0
+ 6384 WT1 3762 TIP3 OH2 OT -0.834000 15.9994 0
+ 6385 WT1 3762 TIP3 H1 HT 0.417000 1.0080 0
+ 6386 WT1 3762 TIP3 H2 HT 0.417000 1.0080 0
+ 6387 WT1 3763 TIP3 OH2 OT -0.834000 15.9994 0
+ 6388 WT1 3763 TIP3 H1 HT 0.417000 1.0080 0
+ 6389 WT1 3763 TIP3 H2 HT 0.417000 1.0080 0
+ 6390 WT1 3764 TIP3 OH2 OT -0.834000 15.9994 0
+ 6391 WT1 3764 TIP3 H1 HT 0.417000 1.0080 0
+ 6392 WT1 3764 TIP3 H2 HT 0.417000 1.0080 0
+ 6393 WT1 3765 TIP3 OH2 OT -0.834000 15.9994 0
+ 6394 WT1 3765 TIP3 H1 HT 0.417000 1.0080 0
+ 6395 WT1 3765 TIP3 H2 HT 0.417000 1.0080 0
+ 6396 WT1 3766 TIP3 OH2 OT -0.834000 15.9994 0
+ 6397 WT1 3766 TIP3 H1 HT 0.417000 1.0080 0
+ 6398 WT1 3766 TIP3 H2 HT 0.417000 1.0080 0
+ 6399 WT1 3767 TIP3 OH2 OT -0.834000 15.9994 0
+ 6400 WT1 3767 TIP3 H1 HT 0.417000 1.0080 0
+ 6401 WT1 3767 TIP3 H2 HT 0.417000 1.0080 0
+ 6402 WT1 3768 TIP3 OH2 OT -0.834000 15.9994 0
+ 6403 WT1 3768 TIP3 H1 HT 0.417000 1.0080 0
+ 6404 WT1 3768 TIP3 H2 HT 0.417000 1.0080 0
+ 6405 WT1 3769 TIP3 OH2 OT -0.834000 15.9994 0
+ 6406 WT1 3769 TIP3 H1 HT 0.417000 1.0080 0
+ 6407 WT1 3769 TIP3 H2 HT 0.417000 1.0080 0
+ 6408 WT1 3770 TIP3 OH2 OT -0.834000 15.9994 0
+ 6409 WT1 3770 TIP3 H1 HT 0.417000 1.0080 0
+ 6410 WT1 3770 TIP3 H2 HT 0.417000 1.0080 0
+ 6411 WT1 3771 TIP3 OH2 OT -0.834000 15.9994 0
+ 6412 WT1 3771 TIP3 H1 HT 0.417000 1.0080 0
+ 6413 WT1 3771 TIP3 H2 HT 0.417000 1.0080 0
+ 6414 WT1 3772 TIP3 OH2 OT -0.834000 15.9994 0
+ 6415 WT1 3772 TIP3 H1 HT 0.417000 1.0080 0
+ 6416 WT1 3772 TIP3 H2 HT 0.417000 1.0080 0
+ 6417 WT1 3773 TIP3 OH2 OT -0.834000 15.9994 0
+ 6418 WT1 3773 TIP3 H1 HT 0.417000 1.0080 0
+ 6419 WT1 3773 TIP3 H2 HT 0.417000 1.0080 0
+ 6420 WT1 3776 TIP3 OH2 OT -0.834000 15.9994 0
+ 6421 WT1 3776 TIP3 H1 HT 0.417000 1.0080 0
+ 6422 WT1 3776 TIP3 H2 HT 0.417000 1.0080 0
+ 6423 WT1 3779 TIP3 OH2 OT -0.834000 15.9994 0
+ 6424 WT1 3779 TIP3 H1 HT 0.417000 1.0080 0
+ 6425 WT1 3779 TIP3 H2 HT 0.417000 1.0080 0
+ 6426 WT1 3783 TIP3 OH2 OT -0.834000 15.9994 0
+ 6427 WT1 3783 TIP3 H1 HT 0.417000 1.0080 0
+ 6428 WT1 3783 TIP3 H2 HT 0.417000 1.0080 0
+ 6429 WT1 3784 TIP3 OH2 OT -0.834000 15.9994 0
+ 6430 WT1 3784 TIP3 H1 HT 0.417000 1.0080 0
+ 6431 WT1 3784 TIP3 H2 HT 0.417000 1.0080 0
+ 6432 WT1 3785 TIP3 OH2 OT -0.834000 15.9994 0
+ 6433 WT1 3785 TIP3 H1 HT 0.417000 1.0080 0
+ 6434 WT1 3785 TIP3 H2 HT 0.417000 1.0080 0
+ 6435 WT1 3786 TIP3 OH2 OT -0.834000 15.9994 0
+ 6436 WT1 3786 TIP3 H1 HT 0.417000 1.0080 0
+ 6437 WT1 3786 TIP3 H2 HT 0.417000 1.0080 0
+ 6438 WT1 3788 TIP3 OH2 OT -0.834000 15.9994 0
+ 6439 WT1 3788 TIP3 H1 HT 0.417000 1.0080 0
+ 6440 WT1 3788 TIP3 H2 HT 0.417000 1.0080 0
+ 6441 WT1 3789 TIP3 OH2 OT -0.834000 15.9994 0
+ 6442 WT1 3789 TIP3 H1 HT 0.417000 1.0080 0
+ 6443 WT1 3789 TIP3 H2 HT 0.417000 1.0080 0
+ 6444 WT1 3791 TIP3 OH2 OT -0.834000 15.9994 0
+ 6445 WT1 3791 TIP3 H1 HT 0.417000 1.0080 0
+ 6446 WT1 3791 TIP3 H2 HT 0.417000 1.0080 0
+ 6447 WT1 3793 TIP3 OH2 OT -0.834000 15.9994 0
+ 6448 WT1 3793 TIP3 H1 HT 0.417000 1.0080 0
+ 6449 WT1 3793 TIP3 H2 HT 0.417000 1.0080 0
+ 6450 WT1 3794 TIP3 OH2 OT -0.834000 15.9994 0
+ 6451 WT1 3794 TIP3 H1 HT 0.417000 1.0080 0
+ 6452 WT1 3794 TIP3 H2 HT 0.417000 1.0080 0
+ 6453 WT1 3796 TIP3 OH2 OT -0.834000 15.9994 0
+ 6454 WT1 3796 TIP3 H1 HT 0.417000 1.0080 0
+ 6455 WT1 3796 TIP3 H2 HT 0.417000 1.0080 0
+ 6456 WT1 3798 TIP3 OH2 OT -0.834000 15.9994 0
+ 6457 WT1 3798 TIP3 H1 HT 0.417000 1.0080 0
+ 6458 WT1 3798 TIP3 H2 HT 0.417000 1.0080 0
+ 6459 WT1 3800 TIP3 OH2 OT -0.834000 15.9994 0
+ 6460 WT1 3800 TIP3 H1 HT 0.417000 1.0080 0
+ 6461 WT1 3800 TIP3 H2 HT 0.417000 1.0080 0
+ 6462 WT1 3801 TIP3 OH2 OT -0.834000 15.9994 0
+ 6463 WT1 3801 TIP3 H1 HT 0.417000 1.0080 0
+ 6464 WT1 3801 TIP3 H2 HT 0.417000 1.0080 0
+ 6465 WT1 3802 TIP3 OH2 OT -0.834000 15.9994 0
+ 6466 WT1 3802 TIP3 H1 HT 0.417000 1.0080 0
+ 6467 WT1 3802 TIP3 H2 HT 0.417000 1.0080 0
+ 6468 WT1 3804 TIP3 OH2 OT -0.834000 15.9994 0
+ 6469 WT1 3804 TIP3 H1 HT 0.417000 1.0080 0
+ 6470 WT1 3804 TIP3 H2 HT 0.417000 1.0080 0
+ 6471 WT1 3805 TIP3 OH2 OT -0.834000 15.9994 0
+ 6472 WT1 3805 TIP3 H1 HT 0.417000 1.0080 0
+ 6473 WT1 3805 TIP3 H2 HT 0.417000 1.0080 0
+ 6474 WT1 3806 TIP3 OH2 OT -0.834000 15.9994 0
+ 6475 WT1 3806 TIP3 H1 HT 0.417000 1.0080 0
+ 6476 WT1 3806 TIP3 H2 HT 0.417000 1.0080 0
+ 6477 WT1 3807 TIP3 OH2 OT -0.834000 15.9994 0
+ 6478 WT1 3807 TIP3 H1 HT 0.417000 1.0080 0
+ 6479 WT1 3807 TIP3 H2 HT 0.417000 1.0080 0
+ 6480 WT1 3808 TIP3 OH2 OT -0.834000 15.9994 0
+ 6481 WT1 3808 TIP3 H1 HT 0.417000 1.0080 0
+ 6482 WT1 3808 TIP3 H2 HT 0.417000 1.0080 0
+ 6483 WT1 3809 TIP3 OH2 OT -0.834000 15.9994 0
+ 6484 WT1 3809 TIP3 H1 HT 0.417000 1.0080 0
+ 6485 WT1 3809 TIP3 H2 HT 0.417000 1.0080 0
+ 6486 WT1 3810 TIP3 OH2 OT -0.834000 15.9994 0
+ 6487 WT1 3810 TIP3 H1 HT 0.417000 1.0080 0
+ 6488 WT1 3810 TIP3 H2 HT 0.417000 1.0080 0
+ 6489 WT1 3811 TIP3 OH2 OT -0.834000 15.9994 0
+ 6490 WT1 3811 TIP3 H1 HT 0.417000 1.0080 0
+ 6491 WT1 3811 TIP3 H2 HT 0.417000 1.0080 0
+ 6492 WT1 3812 TIP3 OH2 OT -0.834000 15.9994 0
+ 6493 WT1 3812 TIP3 H1 HT 0.417000 1.0080 0
+ 6494 WT1 3812 TIP3 H2 HT 0.417000 1.0080 0
+ 6495 WT1 3813 TIP3 OH2 OT -0.834000 15.9994 0
+ 6496 WT1 3813 TIP3 H1 HT 0.417000 1.0080 0
+ 6497 WT1 3813 TIP3 H2 HT 0.417000 1.0080 0
+ 6498 WT1 3814 TIP3 OH2 OT -0.834000 15.9994 0
+ 6499 WT1 3814 TIP3 H1 HT 0.417000 1.0080 0
+ 6500 WT1 3814 TIP3 H2 HT 0.417000 1.0080 0
+ 6501 WT1 3815 TIP3 OH2 OT -0.834000 15.9994 0
+ 6502 WT1 3815 TIP3 H1 HT 0.417000 1.0080 0
+ 6503 WT1 3815 TIP3 H2 HT 0.417000 1.0080 0
+ 6504 WT1 3817 TIP3 OH2 OT -0.834000 15.9994 0
+ 6505 WT1 3817 TIP3 H1 HT 0.417000 1.0080 0
+ 6506 WT1 3817 TIP3 H2 HT 0.417000 1.0080 0
+ 6507 WT1 3821 TIP3 OH2 OT -0.834000 15.9994 0
+ 6508 WT1 3821 TIP3 H1 HT 0.417000 1.0080 0
+ 6509 WT1 3821 TIP3 H2 HT 0.417000 1.0080 0
+ 6510 WT1 3823 TIP3 OH2 OT -0.834000 15.9994 0
+ 6511 WT1 3823 TIP3 H1 HT 0.417000 1.0080 0
+ 6512 WT1 3823 TIP3 H2 HT 0.417000 1.0080 0
+ 6513 WT1 3826 TIP3 OH2 OT -0.834000 15.9994 0
+ 6514 WT1 3826 TIP3 H1 HT 0.417000 1.0080 0
+ 6515 WT1 3826 TIP3 H2 HT 0.417000 1.0080 0
+ 6516 WT1 3827 TIP3 OH2 OT -0.834000 15.9994 0
+ 6517 WT1 3827 TIP3 H1 HT 0.417000 1.0080 0
+ 6518 WT1 3827 TIP3 H2 HT 0.417000 1.0080 0
+ 6519 WT1 3828 TIP3 OH2 OT -0.834000 15.9994 0
+ 6520 WT1 3828 TIP3 H1 HT 0.417000 1.0080 0
+ 6521 WT1 3828 TIP3 H2 HT 0.417000 1.0080 0
+ 6522 WT1 3829 TIP3 OH2 OT -0.834000 15.9994 0
+ 6523 WT1 3829 TIP3 H1 HT 0.417000 1.0080 0
+ 6524 WT1 3829 TIP3 H2 HT 0.417000 1.0080 0
+ 6525 WT1 3830 TIP3 OH2 OT -0.834000 15.9994 0
+ 6526 WT1 3830 TIP3 H1 HT 0.417000 1.0080 0
+ 6527 WT1 3830 TIP3 H2 HT 0.417000 1.0080 0
+ 6528 WT1 3831 TIP3 OH2 OT -0.834000 15.9994 0
+ 6529 WT1 3831 TIP3 H1 HT 0.417000 1.0080 0
+ 6530 WT1 3831 TIP3 H2 HT 0.417000 1.0080 0
+ 6531 WT1 3832 TIP3 OH2 OT -0.834000 15.9994 0
+ 6532 WT1 3832 TIP3 H1 HT 0.417000 1.0080 0
+ 6533 WT1 3832 TIP3 H2 HT 0.417000 1.0080 0
+ 6534 WT1 3833 TIP3 OH2 OT -0.834000 15.9994 0
+ 6535 WT1 3833 TIP3 H1 HT 0.417000 1.0080 0
+ 6536 WT1 3833 TIP3 H2 HT 0.417000 1.0080 0
+ 6537 WT1 3834 TIP3 OH2 OT -0.834000 15.9994 0
+ 6538 WT1 3834 TIP3 H1 HT 0.417000 1.0080 0
+ 6539 WT1 3834 TIP3 H2 HT 0.417000 1.0080 0
+ 6540 WT1 3835 TIP3 OH2 OT -0.834000 15.9994 0
+ 6541 WT1 3835 TIP3 H1 HT 0.417000 1.0080 0
+ 6542 WT1 3835 TIP3 H2 HT 0.417000 1.0080 0
+ 6543 WT1 3838 TIP3 OH2 OT -0.834000 15.9994 0
+ 6544 WT1 3838 TIP3 H1 HT 0.417000 1.0080 0
+ 6545 WT1 3838 TIP3 H2 HT 0.417000 1.0080 0
+ 6546 WT1 3845 TIP3 OH2 OT -0.834000 15.9994 0
+ 6547 WT1 3845 TIP3 H1 HT 0.417000 1.0080 0
+ 6548 WT1 3845 TIP3 H2 HT 0.417000 1.0080 0
+ 6549 WT1 3846 TIP3 OH2 OT -0.834000 15.9994 0
+ 6550 WT1 3846 TIP3 H1 HT 0.417000 1.0080 0
+ 6551 WT1 3846 TIP3 H2 HT 0.417000 1.0080 0
+ 6552 WT1 3847 TIP3 OH2 OT -0.834000 15.9994 0
+ 6553 WT1 3847 TIP3 H1 HT 0.417000 1.0080 0
+ 6554 WT1 3847 TIP3 H2 HT 0.417000 1.0080 0
+ 6555 WT1 3848 TIP3 OH2 OT -0.834000 15.9994 0
+ 6556 WT1 3848 TIP3 H1 HT 0.417000 1.0080 0
+ 6557 WT1 3848 TIP3 H2 HT 0.417000 1.0080 0
+ 6558 WT1 3849 TIP3 OH2 OT -0.834000 15.9994 0
+ 6559 WT1 3849 TIP3 H1 HT 0.417000 1.0080 0
+ 6560 WT1 3849 TIP3 H2 HT 0.417000 1.0080 0
+ 6561 WT1 3850 TIP3 OH2 OT -0.834000 15.9994 0
+ 6562 WT1 3850 TIP3 H1 HT 0.417000 1.0080 0
+ 6563 WT1 3850 TIP3 H2 HT 0.417000 1.0080 0
+ 6564 WT1 3853 TIP3 OH2 OT -0.834000 15.9994 0
+ 6565 WT1 3853 TIP3 H1 HT 0.417000 1.0080 0
+ 6566 WT1 3853 TIP3 H2 HT 0.417000 1.0080 0
+ 6567 WT1 3854 TIP3 OH2 OT -0.834000 15.9994 0
+ 6568 WT1 3854 TIP3 H1 HT 0.417000 1.0080 0
+ 6569 WT1 3854 TIP3 H2 HT 0.417000 1.0080 0
+ 6570 WT1 3855 TIP3 OH2 OT -0.834000 15.9994 0
+ 6571 WT1 3855 TIP3 H1 HT 0.417000 1.0080 0
+ 6572 WT1 3855 TIP3 H2 HT 0.417000 1.0080 0
+ 6573 WT1 3857 TIP3 OH2 OT -0.834000 15.9994 0
+ 6574 WT1 3857 TIP3 H1 HT 0.417000 1.0080 0
+ 6575 WT1 3857 TIP3 H2 HT 0.417000 1.0080 0
+ 6576 WT1 3859 TIP3 OH2 OT -0.834000 15.9994 0
+ 6577 WT1 3859 TIP3 H1 HT 0.417000 1.0080 0
+ 6578 WT1 3859 TIP3 H2 HT 0.417000 1.0080 0
+ 6579 WT1 3861 TIP3 OH2 OT -0.834000 15.9994 0
+ 6580 WT1 3861 TIP3 H1 HT 0.417000 1.0080 0
+ 6581 WT1 3861 TIP3 H2 HT 0.417000 1.0080 0
+ 6582 WT1 3863 TIP3 OH2 OT -0.834000 15.9994 0
+ 6583 WT1 3863 TIP3 H1 HT 0.417000 1.0080 0
+ 6584 WT1 3863 TIP3 H2 HT 0.417000 1.0080 0
+ 6585 WT1 3865 TIP3 OH2 OT -0.834000 15.9994 0
+ 6586 WT1 3865 TIP3 H1 HT 0.417000 1.0080 0
+ 6587 WT1 3865 TIP3 H2 HT 0.417000 1.0080 0
+ 6588 WT1 3867 TIP3 OH2 OT -0.834000 15.9994 0
+ 6589 WT1 3867 TIP3 H1 HT 0.417000 1.0080 0
+ 6590 WT1 3867 TIP3 H2 HT 0.417000 1.0080 0
+ 6591 WT1 3868 TIP3 OH2 OT -0.834000 15.9994 0
+ 6592 WT1 3868 TIP3 H1 HT 0.417000 1.0080 0
+ 6593 WT1 3868 TIP3 H2 HT 0.417000 1.0080 0
+ 6594 WT1 3869 TIP3 OH2 OT -0.834000 15.9994 0
+ 6595 WT1 3869 TIP3 H1 HT 0.417000 1.0080 0
+ 6596 WT1 3869 TIP3 H2 HT 0.417000 1.0080 0
+ 6597 WT1 3870 TIP3 OH2 OT -0.834000 15.9994 0
+ 6598 WT1 3870 TIP3 H1 HT 0.417000 1.0080 0
+ 6599 WT1 3870 TIP3 H2 HT 0.417000 1.0080 0
+ 6600 WT1 3871 TIP3 OH2 OT -0.834000 15.9994 0
+ 6601 WT1 3871 TIP3 H1 HT 0.417000 1.0080 0
+ 6602 WT1 3871 TIP3 H2 HT 0.417000 1.0080 0
+ 6603 WT1 3872 TIP3 OH2 OT -0.834000 15.9994 0
+ 6604 WT1 3872 TIP3 H1 HT 0.417000 1.0080 0
+ 6605 WT1 3872 TIP3 H2 HT 0.417000 1.0080 0
+ 6606 WT1 3873 TIP3 OH2 OT -0.834000 15.9994 0
+ 6607 WT1 3873 TIP3 H1 HT 0.417000 1.0080 0
+ 6608 WT1 3873 TIP3 H2 HT 0.417000 1.0080 0
+ 6609 WT1 3874 TIP3 OH2 OT -0.834000 15.9994 0
+ 6610 WT1 3874 TIP3 H1 HT 0.417000 1.0080 0
+ 6611 WT1 3874 TIP3 H2 HT 0.417000 1.0080 0
+ 6612 WT1 3875 TIP3 OH2 OT -0.834000 15.9994 0
+ 6613 WT1 3875 TIP3 H1 HT 0.417000 1.0080 0
+ 6614 WT1 3875 TIP3 H2 HT 0.417000 1.0080 0
+ 6615 WT1 3876 TIP3 OH2 OT -0.834000 15.9994 0
+ 6616 WT1 3876 TIP3 H1 HT 0.417000 1.0080 0
+ 6617 WT1 3876 TIP3 H2 HT 0.417000 1.0080 0
+ 6618 WT1 3878 TIP3 OH2 OT -0.834000 15.9994 0
+ 6619 WT1 3878 TIP3 H1 HT 0.417000 1.0080 0
+ 6620 WT1 3878 TIP3 H2 HT 0.417000 1.0080 0
+ 6621 WT1 3879 TIP3 OH2 OT -0.834000 15.9994 0
+ 6622 WT1 3879 TIP3 H1 HT 0.417000 1.0080 0
+ 6623 WT1 3879 TIP3 H2 HT 0.417000 1.0080 0
+ 6624 WT1 3880 TIP3 OH2 OT -0.834000 15.9994 0
+ 6625 WT1 3880 TIP3 H1 HT 0.417000 1.0080 0
+ 6626 WT1 3880 TIP3 H2 HT 0.417000 1.0080 0
+ 6627 WT1 3882 TIP3 OH2 OT -0.834000 15.9994 0
+ 6628 WT1 3882 TIP3 H1 HT 0.417000 1.0080 0
+ 6629 WT1 3882 TIP3 H2 HT 0.417000 1.0080 0
+ 6630 WT1 3886 TIP3 OH2 OT -0.834000 15.9994 0
+ 6631 WT1 3886 TIP3 H1 HT 0.417000 1.0080 0
+ 6632 WT1 3886 TIP3 H2 HT 0.417000 1.0080 0
+ 6633 WT1 3888 TIP3 OH2 OT -0.834000 15.9994 0
+ 6634 WT1 3888 TIP3 H1 HT 0.417000 1.0080 0
+ 6635 WT1 3888 TIP3 H2 HT 0.417000 1.0080 0
+ 6636 WT1 3889 TIP3 OH2 OT -0.834000 15.9994 0
+ 6637 WT1 3889 TIP3 H1 HT 0.417000 1.0080 0
+ 6638 WT1 3889 TIP3 H2 HT 0.417000 1.0080 0
+ 6639 WT1 3890 TIP3 OH2 OT -0.834000 15.9994 0
+ 6640 WT1 3890 TIP3 H1 HT 0.417000 1.0080 0
+ 6641 WT1 3890 TIP3 H2 HT 0.417000 1.0080 0
+ 6642 WT1 3891 TIP3 OH2 OT -0.834000 15.9994 0
+ 6643 WT1 3891 TIP3 H1 HT 0.417000 1.0080 0
+ 6644 WT1 3891 TIP3 H2 HT 0.417000 1.0080 0
+ 6645 WT1 3892 TIP3 OH2 OT -0.834000 15.9994 0
+ 6646 WT1 3892 TIP3 H1 HT 0.417000 1.0080 0
+ 6647 WT1 3892 TIP3 H2 HT 0.417000 1.0080 0
+ 6648 WT1 3893 TIP3 OH2 OT -0.834000 15.9994 0
+ 6649 WT1 3893 TIP3 H1 HT 0.417000 1.0080 0
+ 6650 WT1 3893 TIP3 H2 HT 0.417000 1.0080 0
+ 6651 WT1 3894 TIP3 OH2 OT -0.834000 15.9994 0
+ 6652 WT1 3894 TIP3 H1 HT 0.417000 1.0080 0
+ 6653 WT1 3894 TIP3 H2 HT 0.417000 1.0080 0
+ 6654 WT1 3895 TIP3 OH2 OT -0.834000 15.9994 0
+ 6655 WT1 3895 TIP3 H1 HT 0.417000 1.0080 0
+ 6656 WT1 3895 TIP3 H2 HT 0.417000 1.0080 0
+ 6657 WT1 3898 TIP3 OH2 OT -0.834000 15.9994 0
+ 6658 WT1 3898 TIP3 H1 HT 0.417000 1.0080 0
+ 6659 WT1 3898 TIP3 H2 HT 0.417000 1.0080 0
+ 6660 WT1 3899 TIP3 OH2 OT -0.834000 15.9994 0
+ 6661 WT1 3899 TIP3 H1 HT 0.417000 1.0080 0
+ 6662 WT1 3899 TIP3 H2 HT 0.417000 1.0080 0
+ 6663 WT1 3901 TIP3 OH2 OT -0.834000 15.9994 0
+ 6664 WT1 3901 TIP3 H1 HT 0.417000 1.0080 0
+ 6665 WT1 3901 TIP3 H2 HT 0.417000 1.0080 0
+ 6666 WT1 3903 TIP3 OH2 OT -0.834000 15.9994 0
+ 6667 WT1 3903 TIP3 H1 HT 0.417000 1.0080 0
+ 6668 WT1 3903 TIP3 H2 HT 0.417000 1.0080 0
+ 6669 WT1 3907 TIP3 OH2 OT -0.834000 15.9994 0
+ 6670 WT1 3907 TIP3 H1 HT 0.417000 1.0080 0
+ 6671 WT1 3907 TIP3 H2 HT 0.417000 1.0080 0
+ 6672 WT1 3911 TIP3 OH2 OT -0.834000 15.9994 0
+ 6673 WT1 3911 TIP3 H1 HT 0.417000 1.0080 0
+ 6674 WT1 3911 TIP3 H2 HT 0.417000 1.0080 0
+ 6675 WT1 3912 TIP3 OH2 OT -0.834000 15.9994 0
+ 6676 WT1 3912 TIP3 H1 HT 0.417000 1.0080 0
+ 6677 WT1 3912 TIP3 H2 HT 0.417000 1.0080 0
+ 6678 WT1 3913 TIP3 OH2 OT -0.834000 15.9994 0
+ 6679 WT1 3913 TIP3 H1 HT 0.417000 1.0080 0
+ 6680 WT1 3913 TIP3 H2 HT 0.417000 1.0080 0
+ 6681 WT1 3915 TIP3 OH2 OT -0.834000 15.9994 0
+ 6682 WT1 3915 TIP3 H1 HT 0.417000 1.0080 0
+ 6683 WT1 3915 TIP3 H2 HT 0.417000 1.0080 0
+ 6684 WT1 3916 TIP3 OH2 OT -0.834000 15.9994 0
+ 6685 WT1 3916 TIP3 H1 HT 0.417000 1.0080 0
+ 6686 WT1 3916 TIP3 H2 HT 0.417000 1.0080 0
+ 6687 WT1 3917 TIP3 OH2 OT -0.834000 15.9994 0
+ 6688 WT1 3917 TIP3 H1 HT 0.417000 1.0080 0
+ 6689 WT1 3917 TIP3 H2 HT 0.417000 1.0080 0
+ 6690 WT1 3919 TIP3 OH2 OT -0.834000 15.9994 0
+ 6691 WT1 3919 TIP3 H1 HT 0.417000 1.0080 0
+ 6692 WT1 3919 TIP3 H2 HT 0.417000 1.0080 0
+ 6693 WT1 3920 TIP3 OH2 OT -0.834000 15.9994 0
+ 6694 WT1 3920 TIP3 H1 HT 0.417000 1.0080 0
+ 6695 WT1 3920 TIP3 H2 HT 0.417000 1.0080 0
+ 6696 WT1 3922 TIP3 OH2 OT -0.834000 15.9994 0
+ 6697 WT1 3922 TIP3 H1 HT 0.417000 1.0080 0
+ 6698 WT1 3922 TIP3 H2 HT 0.417000 1.0080 0
+ 6699 WT1 3924 TIP3 OH2 OT -0.834000 15.9994 0
+ 6700 WT1 3924 TIP3 H1 HT 0.417000 1.0080 0
+ 6701 WT1 3924 TIP3 H2 HT 0.417000 1.0080 0
+ 6702 WT1 3925 TIP3 OH2 OT -0.834000 15.9994 0
+ 6703 WT1 3925 TIP3 H1 HT 0.417000 1.0080 0
+ 6704 WT1 3925 TIP3 H2 HT 0.417000 1.0080 0
+ 6705 WT1 3928 TIP3 OH2 OT -0.834000 15.9994 0
+ 6706 WT1 3928 TIP3 H1 HT 0.417000 1.0080 0
+ 6707 WT1 3928 TIP3 H2 HT 0.417000 1.0080 0
+ 6708 WT1 3929 TIP3 OH2 OT -0.834000 15.9994 0
+ 6709 WT1 3929 TIP3 H1 HT 0.417000 1.0080 0
+ 6710 WT1 3929 TIP3 H2 HT 0.417000 1.0080 0
+ 6711 WT1 3930 TIP3 OH2 OT -0.834000 15.9994 0
+ 6712 WT1 3930 TIP3 H1 HT 0.417000 1.0080 0
+ 6713 WT1 3930 TIP3 H2 HT 0.417000 1.0080 0
+ 6714 WT1 3931 TIP3 OH2 OT -0.834000 15.9994 0
+ 6715 WT1 3931 TIP3 H1 HT 0.417000 1.0080 0
+ 6716 WT1 3931 TIP3 H2 HT 0.417000 1.0080 0
+ 6717 WT1 3932 TIP3 OH2 OT -0.834000 15.9994 0
+ 6718 WT1 3932 TIP3 H1 HT 0.417000 1.0080 0
+ 6719 WT1 3932 TIP3 H2 HT 0.417000 1.0080 0
+ 6720 WT1 3933 TIP3 OH2 OT -0.834000 15.9994 0
+ 6721 WT1 3933 TIP3 H1 HT 0.417000 1.0080 0
+ 6722 WT1 3933 TIP3 H2 HT 0.417000 1.0080 0
+ 6723 WT1 3934 TIP3 OH2 OT -0.834000 15.9994 0
+ 6724 WT1 3934 TIP3 H1 HT 0.417000 1.0080 0
+ 6725 WT1 3934 TIP3 H2 HT 0.417000 1.0080 0
+ 6726 WT1 3935 TIP3 OH2 OT -0.834000 15.9994 0
+ 6727 WT1 3935 TIP3 H1 HT 0.417000 1.0080 0
+ 6728 WT1 3935 TIP3 H2 HT 0.417000 1.0080 0
+ 6729 WT1 3936 TIP3 OH2 OT -0.834000 15.9994 0
+ 6730 WT1 3936 TIP3 H1 HT 0.417000 1.0080 0
+ 6731 WT1 3936 TIP3 H2 HT 0.417000 1.0080 0
+ 6732 WT1 3937 TIP3 OH2 OT -0.834000 15.9994 0
+ 6733 WT1 3937 TIP3 H1 HT 0.417000 1.0080 0
+ 6734 WT1 3937 TIP3 H2 HT 0.417000 1.0080 0
+ 6735 WT1 3938 TIP3 OH2 OT -0.834000 15.9994 0
+ 6736 WT1 3938 TIP3 H1 HT 0.417000 1.0080 0
+ 6737 WT1 3938 TIP3 H2 HT 0.417000 1.0080 0
+ 6738 WT1 3939 TIP3 OH2 OT -0.834000 15.9994 0
+ 6739 WT1 3939 TIP3 H1 HT 0.417000 1.0080 0
+ 6740 WT1 3939 TIP3 H2 HT 0.417000 1.0080 0
+ 6741 WT1 3946 TIP3 OH2 OT -0.834000 15.9994 0
+ 6742 WT1 3946 TIP3 H1 HT 0.417000 1.0080 0
+ 6743 WT1 3946 TIP3 H2 HT 0.417000 1.0080 0
+ 6744 WT1 3949 TIP3 OH2 OT -0.834000 15.9994 0
+ 6745 WT1 3949 TIP3 H1 HT 0.417000 1.0080 0
+ 6746 WT1 3949 TIP3 H2 HT 0.417000 1.0080 0
+ 6747 WT1 3951 TIP3 OH2 OT -0.834000 15.9994 0
+ 6748 WT1 3951 TIP3 H1 HT 0.417000 1.0080 0
+ 6749 WT1 3951 TIP3 H2 HT 0.417000 1.0080 0
+ 6750 WT1 3954 TIP3 OH2 OT -0.834000 15.9994 0
+ 6751 WT1 3954 TIP3 H1 HT 0.417000 1.0080 0
+ 6752 WT1 3954 TIP3 H2 HT 0.417000 1.0080 0
+ 6753 WT1 3955 TIP3 OH2 OT -0.834000 15.9994 0
+ 6754 WT1 3955 TIP3 H1 HT 0.417000 1.0080 0
+ 6755 WT1 3955 TIP3 H2 HT 0.417000 1.0080 0
+ 6756 WT1 3957 TIP3 OH2 OT -0.834000 15.9994 0
+ 6757 WT1 3957 TIP3 H1 HT 0.417000 1.0080 0
+ 6758 WT1 3957 TIP3 H2 HT 0.417000 1.0080 0
+ 6759 WT1 3958 TIP3 OH2 OT -0.834000 15.9994 0
+ 6760 WT1 3958 TIP3 H1 HT 0.417000 1.0080 0
+ 6761 WT1 3958 TIP3 H2 HT 0.417000 1.0080 0
+ 6762 WT1 3959 TIP3 OH2 OT -0.834000 15.9994 0
+ 6763 WT1 3959 TIP3 H1 HT 0.417000 1.0080 0
+ 6764 WT1 3959 TIP3 H2 HT 0.417000 1.0080 0
+ 6765 WT1 3960 TIP3 OH2 OT -0.834000 15.9994 0
+ 6766 WT1 3960 TIP3 H1 HT 0.417000 1.0080 0
+ 6767 WT1 3960 TIP3 H2 HT 0.417000 1.0080 0
+ 6768 WT1 3961 TIP3 OH2 OT -0.834000 15.9994 0
+ 6769 WT1 3961 TIP3 H1 HT 0.417000 1.0080 0
+ 6770 WT1 3961 TIP3 H2 HT 0.417000 1.0080 0
+ 6771 WT1 3971 TIP3 OH2 OT -0.834000 15.9994 0
+ 6772 WT1 3971 TIP3 H1 HT 0.417000 1.0080 0
+ 6773 WT1 3971 TIP3 H2 HT 0.417000 1.0080 0
+ 6774 WT1 3972 TIP3 OH2 OT -0.834000 15.9994 0
+ 6775 WT1 3972 TIP3 H1 HT 0.417000 1.0080 0
+ 6776 WT1 3972 TIP3 H2 HT 0.417000 1.0080 0
+ 6777 WT1 3974 TIP3 OH2 OT -0.834000 15.9994 0
+ 6778 WT1 3974 TIP3 H1 HT 0.417000 1.0080 0
+ 6779 WT1 3974 TIP3 H2 HT 0.417000 1.0080 0
+ 6780 WT1 3975 TIP3 OH2 OT -0.834000 15.9994 0
+ 6781 WT1 3975 TIP3 H1 HT 0.417000 1.0080 0
+ 6782 WT1 3975 TIP3 H2 HT 0.417000 1.0080 0
+ 6783 WT1 3976 TIP3 OH2 OT -0.834000 15.9994 0
+ 6784 WT1 3976 TIP3 H1 HT 0.417000 1.0080 0
+ 6785 WT1 3976 TIP3 H2 HT 0.417000 1.0080 0
+ 6786 WT1 3977 TIP3 OH2 OT -0.834000 15.9994 0
+ 6787 WT1 3977 TIP3 H1 HT 0.417000 1.0080 0
+ 6788 WT1 3977 TIP3 H2 HT 0.417000 1.0080 0
+ 6789 WT1 3978 TIP3 OH2 OT -0.834000 15.9994 0
+ 6790 WT1 3978 TIP3 H1 HT 0.417000 1.0080 0
+ 6791 WT1 3978 TIP3 H2 HT 0.417000 1.0080 0
+ 6792 WT1 3979 TIP3 OH2 OT -0.834000 15.9994 0
+ 6793 WT1 3979 TIP3 H1 HT 0.417000 1.0080 0
+ 6794 WT1 3979 TIP3 H2 HT 0.417000 1.0080 0
+ 6795 WT1 3980 TIP3 OH2 OT -0.834000 15.9994 0
+ 6796 WT1 3980 TIP3 H1 HT 0.417000 1.0080 0
+ 6797 WT1 3980 TIP3 H2 HT 0.417000 1.0080 0
+ 6798 WT1 3981 TIP3 OH2 OT -0.834000 15.9994 0
+ 6799 WT1 3981 TIP3 H1 HT 0.417000 1.0080 0
+ 6800 WT1 3981 TIP3 H2 HT 0.417000 1.0080 0
+ 6801 WT1 3982 TIP3 OH2 OT -0.834000 15.9994 0
+ 6802 WT1 3982 TIP3 H1 HT 0.417000 1.0080 0
+ 6803 WT1 3982 TIP3 H2 HT 0.417000 1.0080 0
+ 6804 WT1 3983 TIP3 OH2 OT -0.834000 15.9994 0
+ 6805 WT1 3983 TIP3 H1 HT 0.417000 1.0080 0
+ 6806 WT1 3983 TIP3 H2 HT 0.417000 1.0080 0
+ 6807 WT1 3986 TIP3 OH2 OT -0.834000 15.9994 0
+ 6808 WT1 3986 TIP3 H1 HT 0.417000 1.0080 0
+ 6809 WT1 3986 TIP3 H2 HT 0.417000 1.0080 0
+ 6810 WT1 3991 TIP3 OH2 OT -0.834000 15.9994 0
+ 6811 WT1 3991 TIP3 H1 HT 0.417000 1.0080 0
+ 6812 WT1 3991 TIP3 H2 HT 0.417000 1.0080 0
+ 6813 WT1 3992 TIP3 OH2 OT -0.834000 15.9994 0
+ 6814 WT1 3992 TIP3 H1 HT 0.417000 1.0080 0
+ 6815 WT1 3992 TIP3 H2 HT 0.417000 1.0080 0
+ 6816 WT1 3993 TIP3 OH2 OT -0.834000 15.9994 0
+ 6817 WT1 3993 TIP3 H1 HT 0.417000 1.0080 0
+ 6818 WT1 3993 TIP3 H2 HT 0.417000 1.0080 0
+ 6819 WT1 3995 TIP3 OH2 OT -0.834000 15.9994 0
+ 6820 WT1 3995 TIP3 H1 HT 0.417000 1.0080 0
+ 6821 WT1 3995 TIP3 H2 HT 0.417000 1.0080 0
+ 6822 WT1 3996 TIP3 OH2 OT -0.834000 15.9994 0
+ 6823 WT1 3996 TIP3 H1 HT 0.417000 1.0080 0
+ 6824 WT1 3996 TIP3 H2 HT 0.417000 1.0080 0
+ 6825 WT1 3997 TIP3 OH2 OT -0.834000 15.9994 0
+ 6826 WT1 3997 TIP3 H1 HT 0.417000 1.0080 0
+ 6827 WT1 3997 TIP3 H2 HT 0.417000 1.0080 0
+ 6828 WT1 3998 TIP3 OH2 OT -0.834000 15.9994 0
+ 6829 WT1 3998 TIP3 H1 HT 0.417000 1.0080 0
+ 6830 WT1 3998 TIP3 H2 HT 0.417000 1.0080 0
+ 6831 WT1 3999 TIP3 OH2 OT -0.834000 15.9994 0
+ 6832 WT1 3999 TIP3 H1 HT 0.417000 1.0080 0
+ 6833 WT1 3999 TIP3 H2 HT 0.417000 1.0080 0
+ 6834 WT1 4000 TIP3 OH2 OT -0.834000 15.9994 0
+ 6835 WT1 4000 TIP3 H1 HT 0.417000 1.0080 0
+ 6836 WT1 4000 TIP3 H2 HT 0.417000 1.0080 0
+ 6837 WT1 4001 TIP3 OH2 OT -0.834000 15.9994 0
+ 6838 WT1 4001 TIP3 H1 HT 0.417000 1.0080 0
+ 6839 WT1 4001 TIP3 H2 HT 0.417000 1.0080 0
+ 6840 WT1 4002 TIP3 OH2 OT -0.834000 15.9994 0
+ 6841 WT1 4002 TIP3 H1 HT 0.417000 1.0080 0
+ 6842 WT1 4002 TIP3 H2 HT 0.417000 1.0080 0
+ 6843 WT1 4004 TIP3 OH2 OT -0.834000 15.9994 0
+ 6844 WT1 4004 TIP3 H1 HT 0.417000 1.0080 0
+ 6845 WT1 4004 TIP3 H2 HT 0.417000 1.0080 0
+ 6846 WT1 4005 TIP3 OH2 OT -0.834000 15.9994 0
+ 6847 WT1 4005 TIP3 H1 HT 0.417000 1.0080 0
+ 6848 WT1 4005 TIP3 H2 HT 0.417000 1.0080 0
+ 6849 WT1 4006 TIP3 OH2 OT -0.834000 15.9994 0
+ 6850 WT1 4006 TIP3 H1 HT 0.417000 1.0080 0
+ 6851 WT1 4006 TIP3 H2 HT 0.417000 1.0080 0
+ 6852 WT1 4008 TIP3 OH2 OT -0.834000 15.9994 0
+ 6853 WT1 4008 TIP3 H1 HT 0.417000 1.0080 0
+ 6854 WT1 4008 TIP3 H2 HT 0.417000 1.0080 0
+ 6855 WT1 4009 TIP3 OH2 OT -0.834000 15.9994 0
+ 6856 WT1 4009 TIP3 H1 HT 0.417000 1.0080 0
+ 6857 WT1 4009 TIP3 H2 HT 0.417000 1.0080 0
+ 6858 WT1 4010 TIP3 OH2 OT -0.834000 15.9994 0
+ 6859 WT1 4010 TIP3 H1 HT 0.417000 1.0080 0
+ 6860 WT1 4010 TIP3 H2 HT 0.417000 1.0080 0
+ 6861 WT1 4011 TIP3 OH2 OT -0.834000 15.9994 0
+ 6862 WT1 4011 TIP3 H1 HT 0.417000 1.0080 0
+ 6863 WT1 4011 TIP3 H2 HT 0.417000 1.0080 0
+ 6864 WT1 4012 TIP3 OH2 OT -0.834000 15.9994 0
+ 6865 WT1 4012 TIP3 H1 HT 0.417000 1.0080 0
+ 6866 WT1 4012 TIP3 H2 HT 0.417000 1.0080 0
+ 6867 WT1 4014 TIP3 OH2 OT -0.834000 15.9994 0
+ 6868 WT1 4014 TIP3 H1 HT 0.417000 1.0080 0
+ 6869 WT1 4014 TIP3 H2 HT 0.417000 1.0080 0
+ 6870 WT1 4015 TIP3 OH2 OT -0.834000 15.9994 0
+ 6871 WT1 4015 TIP3 H1 HT 0.417000 1.0080 0
+ 6872 WT1 4015 TIP3 H2 HT 0.417000 1.0080 0
+ 6873 WT1 4016 TIP3 OH2 OT -0.834000 15.9994 0
+ 6874 WT1 4016 TIP3 H1 HT 0.417000 1.0080 0
+ 6875 WT1 4016 TIP3 H2 HT 0.417000 1.0080 0
+ 6876 WT1 4017 TIP3 OH2 OT -0.834000 15.9994 0
+ 6877 WT1 4017 TIP3 H1 HT 0.417000 1.0080 0
+ 6878 WT1 4017 TIP3 H2 HT 0.417000 1.0080 0
+ 6879 WT1 4018 TIP3 OH2 OT -0.834000 15.9994 0
+ 6880 WT1 4018 TIP3 H1 HT 0.417000 1.0080 0
+ 6881 WT1 4018 TIP3 H2 HT 0.417000 1.0080 0
+ 6882 WT1 4019 TIP3 OH2 OT -0.834000 15.9994 0
+ 6883 WT1 4019 TIP3 H1 HT 0.417000 1.0080 0
+ 6884 WT1 4019 TIP3 H2 HT 0.417000 1.0080 0
+ 6885 WT1 4020 TIP3 OH2 OT -0.834000 15.9994 0
+ 6886 WT1 4020 TIP3 H1 HT 0.417000 1.0080 0
+ 6887 WT1 4020 TIP3 H2 HT 0.417000 1.0080 0
+ 6888 WT1 4021 TIP3 OH2 OT -0.834000 15.9994 0
+ 6889 WT1 4021 TIP3 H1 HT 0.417000 1.0080 0
+ 6890 WT1 4021 TIP3 H2 HT 0.417000 1.0080 0
+ 6891 WT1 4022 TIP3 OH2 OT -0.834000 15.9994 0
+ 6892 WT1 4022 TIP3 H1 HT 0.417000 1.0080 0
+ 6893 WT1 4022 TIP3 H2 HT 0.417000 1.0080 0
+ 6894 WT1 4029 TIP3 OH2 OT -0.834000 15.9994 0
+ 6895 WT1 4029 TIP3 H1 HT 0.417000 1.0080 0
+ 6896 WT1 4029 TIP3 H2 HT 0.417000 1.0080 0
+ 6897 WT1 4030 TIP3 OH2 OT -0.834000 15.9994 0
+ 6898 WT1 4030 TIP3 H1 HT 0.417000 1.0080 0
+ 6899 WT1 4030 TIP3 H2 HT 0.417000 1.0080 0
+ 6900 WT1 4033 TIP3 OH2 OT -0.834000 15.9994 0
+ 6901 WT1 4033 TIP3 H1 HT 0.417000 1.0080 0
+ 6902 WT1 4033 TIP3 H2 HT 0.417000 1.0080 0
+ 6903 WT1 4035 TIP3 OH2 OT -0.834000 15.9994 0
+ 6904 WT1 4035 TIP3 H1 HT 0.417000 1.0080 0
+ 6905 WT1 4035 TIP3 H2 HT 0.417000 1.0080 0
+ 6906 WT1 4036 TIP3 OH2 OT -0.834000 15.9994 0
+ 6907 WT1 4036 TIP3 H1 HT 0.417000 1.0080 0
+ 6908 WT1 4036 TIP3 H2 HT 0.417000 1.0080 0
+ 6909 WT1 4037 TIP3 OH2 OT -0.834000 15.9994 0
+ 6910 WT1 4037 TIP3 H1 HT 0.417000 1.0080 0
+ 6911 WT1 4037 TIP3 H2 HT 0.417000 1.0080 0
+ 6912 WT1 4038 TIP3 OH2 OT -0.834000 15.9994 0
+ 6913 WT1 4038 TIP3 H1 HT 0.417000 1.0080 0
+ 6914 WT1 4038 TIP3 H2 HT 0.417000 1.0080 0
+ 6915 WT1 4039 TIP3 OH2 OT -0.834000 15.9994 0
+ 6916 WT1 4039 TIP3 H1 HT 0.417000 1.0080 0
+ 6917 WT1 4039 TIP3 H2 HT 0.417000 1.0080 0
+ 6918 WT1 4041 TIP3 OH2 OT -0.834000 15.9994 0
+ 6919 WT1 4041 TIP3 H1 HT 0.417000 1.0080 0
+ 6920 WT1 4041 TIP3 H2 HT 0.417000 1.0080 0
+ 6921 WT1 4042 TIP3 OH2 OT -0.834000 15.9994 0
+ 6922 WT1 4042 TIP3 H1 HT 0.417000 1.0080 0
+ 6923 WT1 4042 TIP3 H2 HT 0.417000 1.0080 0
+ 6924 WT1 4044 TIP3 OH2 OT -0.834000 15.9994 0
+ 6925 WT1 4044 TIP3 H1 HT 0.417000 1.0080 0
+ 6926 WT1 4044 TIP3 H2 HT 0.417000 1.0080 0
+ 6927 WT1 4046 TIP3 OH2 OT -0.834000 15.9994 0
+ 6928 WT1 4046 TIP3 H1 HT 0.417000 1.0080 0
+ 6929 WT1 4046 TIP3 H2 HT 0.417000 1.0080 0
+ 6930 WT1 4047 TIP3 OH2 OT -0.834000 15.9994 0
+ 6931 WT1 4047 TIP3 H1 HT 0.417000 1.0080 0
+ 6932 WT1 4047 TIP3 H2 HT 0.417000 1.0080 0
+ 6933 WT1 4053 TIP3 OH2 OT -0.834000 15.9994 0
+ 6934 WT1 4053 TIP3 H1 HT 0.417000 1.0080 0
+ 6935 WT1 4053 TIP3 H2 HT 0.417000 1.0080 0
+ 6936 WT1 4054 TIP3 OH2 OT -0.834000 15.9994 0
+ 6937 WT1 4054 TIP3 H1 HT 0.417000 1.0080 0
+ 6938 WT1 4054 TIP3 H2 HT 0.417000 1.0080 0
+ 6939 WT1 4055 TIP3 OH2 OT -0.834000 15.9994 0
+ 6940 WT1 4055 TIP3 H1 HT 0.417000 1.0080 0
+ 6941 WT1 4055 TIP3 H2 HT 0.417000 1.0080 0
+ 6942 WT1 4056 TIP3 OH2 OT -0.834000 15.9994 0
+ 6943 WT1 4056 TIP3 H1 HT 0.417000 1.0080 0
+ 6944 WT1 4056 TIP3 H2 HT 0.417000 1.0080 0
+ 6945 WT1 4057 TIP3 OH2 OT -0.834000 15.9994 0
+ 6946 WT1 4057 TIP3 H1 HT 0.417000 1.0080 0
+ 6947 WT1 4057 TIP3 H2 HT 0.417000 1.0080 0
+ 6948 WT1 4059 TIP3 OH2 OT -0.834000 15.9994 0
+ 6949 WT1 4059 TIP3 H1 HT 0.417000 1.0080 0
+ 6950 WT1 4059 TIP3 H2 HT 0.417000 1.0080 0
+ 6951 WT1 4060 TIP3 OH2 OT -0.834000 15.9994 0
+ 6952 WT1 4060 TIP3 H1 HT 0.417000 1.0080 0
+ 6953 WT1 4060 TIP3 H2 HT 0.417000 1.0080 0
+ 6954 WT1 4062 TIP3 OH2 OT -0.834000 15.9994 0
+ 6955 WT1 4062 TIP3 H1 HT 0.417000 1.0080 0
+ 6956 WT1 4062 TIP3 H2 HT 0.417000 1.0080 0
+ 6957 WT1 4063 TIP3 OH2 OT -0.834000 15.9994 0
+ 6958 WT1 4063 TIP3 H1 HT 0.417000 1.0080 0
+ 6959 WT1 4063 TIP3 H2 HT 0.417000 1.0080 0
+ 6960 WT1 4064 TIP3 OH2 OT -0.834000 15.9994 0
+ 6961 WT1 4064 TIP3 H1 HT 0.417000 1.0080 0
+ 6962 WT1 4064 TIP3 H2 HT 0.417000 1.0080 0
+ 6963 WT1 4065 TIP3 OH2 OT -0.834000 15.9994 0
+ 6964 WT1 4065 TIP3 H1 HT 0.417000 1.0080 0
+ 6965 WT1 4065 TIP3 H2 HT 0.417000 1.0080 0
+ 6966 WT1 4066 TIP3 OH2 OT -0.834000 15.9994 0
+ 6967 WT1 4066 TIP3 H1 HT 0.417000 1.0080 0
+ 6968 WT1 4066 TIP3 H2 HT 0.417000 1.0080 0
+ 6969 WT1 4072 TIP3 OH2 OT -0.834000 15.9994 0
+ 6970 WT1 4072 TIP3 H1 HT 0.417000 1.0080 0
+ 6971 WT1 4072 TIP3 H2 HT 0.417000 1.0080 0
+ 6972 WT1 4074 TIP3 OH2 OT -0.834000 15.9994 0
+ 6973 WT1 4074 TIP3 H1 HT 0.417000 1.0080 0
+ 6974 WT1 4074 TIP3 H2 HT 0.417000 1.0080 0
+ 6975 WT1 4076 TIP3 OH2 OT -0.834000 15.9994 0
+ 6976 WT1 4076 TIP3 H1 HT 0.417000 1.0080 0
+ 6977 WT1 4076 TIP3 H2 HT 0.417000 1.0080 0
+ 6978 WT1 4077 TIP3 OH2 OT -0.834000 15.9994 0
+ 6979 WT1 4077 TIP3 H1 HT 0.417000 1.0080 0
+ 6980 WT1 4077 TIP3 H2 HT 0.417000 1.0080 0
+ 6981 WT1 4080 TIP3 OH2 OT -0.834000 15.9994 0
+ 6982 WT1 4080 TIP3 H1 HT 0.417000 1.0080 0
+ 6983 WT1 4080 TIP3 H2 HT 0.417000 1.0080 0
+ 6984 WT1 4082 TIP3 OH2 OT -0.834000 15.9994 0
+ 6985 WT1 4082 TIP3 H1 HT 0.417000 1.0080 0
+ 6986 WT1 4082 TIP3 H2 HT 0.417000 1.0080 0
+ 6987 WT1 4084 TIP3 OH2 OT -0.834000 15.9994 0
+ 6988 WT1 4084 TIP3 H1 HT 0.417000 1.0080 0
+ 6989 WT1 4084 TIP3 H2 HT 0.417000 1.0080 0
+ 6990 WT1 4085 TIP3 OH2 OT -0.834000 15.9994 0
+ 6991 WT1 4085 TIP3 H1 HT 0.417000 1.0080 0
+ 6992 WT1 4085 TIP3 H2 HT 0.417000 1.0080 0
+ 6993 WT1 4086 TIP3 OH2 OT -0.834000 15.9994 0
+ 6994 WT1 4086 TIP3 H1 HT 0.417000 1.0080 0
+ 6995 WT1 4086 TIP3 H2 HT 0.417000 1.0080 0
+ 6996 WT1 4088 TIP3 OH2 OT -0.834000 15.9994 0
+ 6997 WT1 4088 TIP3 H1 HT 0.417000 1.0080 0
+ 6998 WT1 4088 TIP3 H2 HT 0.417000 1.0080 0
+ 6999 WT1 4089 TIP3 OH2 OT -0.834000 15.9994 0
+ 7000 WT1 4089 TIP3 H1 HT 0.417000 1.0080 0
+ 7001 WT1 4089 TIP3 H2 HT 0.417000 1.0080 0
+ 7002 WT1 4091 TIP3 OH2 OT -0.834000 15.9994 0
+ 7003 WT1 4091 TIP3 H1 HT 0.417000 1.0080 0
+ 7004 WT1 4091 TIP3 H2 HT 0.417000 1.0080 0
+ 7005 WT1 4093 TIP3 OH2 OT -0.834000 15.9994 0
+ 7006 WT1 4093 TIP3 H1 HT 0.417000 1.0080 0
+ 7007 WT1 4093 TIP3 H2 HT 0.417000 1.0080 0
+ 7008 WT1 4096 TIP3 OH2 OT -0.834000 15.9994 0
+ 7009 WT1 4096 TIP3 H1 HT 0.417000 1.0080 0
+ 7010 WT1 4096 TIP3 H2 HT 0.417000 1.0080 0
+ 7011 WT1 4097 TIP3 OH2 OT -0.834000 15.9994 0
+ 7012 WT1 4097 TIP3 H1 HT 0.417000 1.0080 0
+ 7013 WT1 4097 TIP3 H2 HT 0.417000 1.0080 0
+ 7014 WT1 4098 TIP3 OH2 OT -0.834000 15.9994 0
+ 7015 WT1 4098 TIP3 H1 HT 0.417000 1.0080 0
+ 7016 WT1 4098 TIP3 H2 HT 0.417000 1.0080 0
+ 7017 WT1 4099 TIP3 OH2 OT -0.834000 15.9994 0
+ 7018 WT1 4099 TIP3 H1 HT 0.417000 1.0080 0
+ 7019 WT1 4099 TIP3 H2 HT 0.417000 1.0080 0
+ 7020 WT1 4100 TIP3 OH2 OT -0.834000 15.9994 0
+ 7021 WT1 4100 TIP3 H1 HT 0.417000 1.0080 0
+ 7022 WT1 4100 TIP3 H2 HT 0.417000 1.0080 0
+ 7023 WT1 4101 TIP3 OH2 OT -0.834000 15.9994 0
+ 7024 WT1 4101 TIP3 H1 HT 0.417000 1.0080 0
+ 7025 WT1 4101 TIP3 H2 HT 0.417000 1.0080 0
+ 7026 WT1 4103 TIP3 OH2 OT -0.834000 15.9994 0
+ 7027 WT1 4103 TIP3 H1 HT 0.417000 1.0080 0
+ 7028 WT1 4103 TIP3 H2 HT 0.417000 1.0080 0
+ 7029 WT1 4104 TIP3 OH2 OT -0.834000 15.9994 0
+ 7030 WT1 4104 TIP3 H1 HT 0.417000 1.0080 0
+ 7031 WT1 4104 TIP3 H2 HT 0.417000 1.0080 0
+ 7032 WT1 4105 TIP3 OH2 OT -0.834000 15.9994 0
+ 7033 WT1 4105 TIP3 H1 HT 0.417000 1.0080 0
+ 7034 WT1 4105 TIP3 H2 HT 0.417000 1.0080 0
+ 7035 WT1 4106 TIP3 OH2 OT -0.834000 15.9994 0
+ 7036 WT1 4106 TIP3 H1 HT 0.417000 1.0080 0
+ 7037 WT1 4106 TIP3 H2 HT 0.417000 1.0080 0
+ 7038 WT1 4107 TIP3 OH2 OT -0.834000 15.9994 0
+ 7039 WT1 4107 TIP3 H1 HT 0.417000 1.0080 0
+ 7040 WT1 4107 TIP3 H2 HT 0.417000 1.0080 0
+ 7041 WT1 4109 TIP3 OH2 OT -0.834000 15.9994 0
+ 7042 WT1 4109 TIP3 H1 HT 0.417000 1.0080 0
+ 7043 WT1 4109 TIP3 H2 HT 0.417000 1.0080 0
+ 7044 WT1 4110 TIP3 OH2 OT -0.834000 15.9994 0
+ 7045 WT1 4110 TIP3 H1 HT 0.417000 1.0080 0
+ 7046 WT1 4110 TIP3 H2 HT 0.417000 1.0080 0
+ 7047 WT1 4111 TIP3 OH2 OT -0.834000 15.9994 0
+ 7048 WT1 4111 TIP3 H1 HT 0.417000 1.0080 0
+ 7049 WT1 4111 TIP3 H2 HT 0.417000 1.0080 0
+ 7050 WT1 4116 TIP3 OH2 OT -0.834000 15.9994 0
+ 7051 WT1 4116 TIP3 H1 HT 0.417000 1.0080 0
+ 7052 WT1 4116 TIP3 H2 HT 0.417000 1.0080 0
+ 7053 WT1 4119 TIP3 OH2 OT -0.834000 15.9994 0
+ 7054 WT1 4119 TIP3 H1 HT 0.417000 1.0080 0
+ 7055 WT1 4119 TIP3 H2 HT 0.417000 1.0080 0
+ 7056 WT1 4120 TIP3 OH2 OT -0.834000 15.9994 0
+ 7057 WT1 4120 TIP3 H1 HT 0.417000 1.0080 0
+ 7058 WT1 4120 TIP3 H2 HT 0.417000 1.0080 0
+ 7059 WT1 4121 TIP3 OH2 OT -0.834000 15.9994 0
+ 7060 WT1 4121 TIP3 H1 HT 0.417000 1.0080 0
+ 7061 WT1 4121 TIP3 H2 HT 0.417000 1.0080 0
+ 7062 WT1 4122 TIP3 OH2 OT -0.834000 15.9994 0
+ 7063 WT1 4122 TIP3 H1 HT 0.417000 1.0080 0
+ 7064 WT1 4122 TIP3 H2 HT 0.417000 1.0080 0
+ 7065 WT1 4123 TIP3 OH2 OT -0.834000 15.9994 0
+ 7066 WT1 4123 TIP3 H1 HT 0.417000 1.0080 0
+ 7067 WT1 4123 TIP3 H2 HT 0.417000 1.0080 0
+ 7068 WT1 4124 TIP3 OH2 OT -0.834000 15.9994 0
+ 7069 WT1 4124 TIP3 H1 HT 0.417000 1.0080 0
+ 7070 WT1 4124 TIP3 H2 HT 0.417000 1.0080 0
+ 7071 WT1 4126 TIP3 OH2 OT -0.834000 15.9994 0
+ 7072 WT1 4126 TIP3 H1 HT 0.417000 1.0080 0
+ 7073 WT1 4126 TIP3 H2 HT 0.417000 1.0080 0
+ 7074 WT1 4127 TIP3 OH2 OT -0.834000 15.9994 0
+ 7075 WT1 4127 TIP3 H1 HT 0.417000 1.0080 0
+ 7076 WT1 4127 TIP3 H2 HT 0.417000 1.0080 0
+ 7077 WT1 4129 TIP3 OH2 OT -0.834000 15.9994 0
+ 7078 WT1 4129 TIP3 H1 HT 0.417000 1.0080 0
+ 7079 WT1 4129 TIP3 H2 HT 0.417000 1.0080 0
+ 7080 WT1 4131 TIP3 OH2 OT -0.834000 15.9994 0
+ 7081 WT1 4131 TIP3 H1 HT 0.417000 1.0080 0
+ 7082 WT1 4131 TIP3 H2 HT 0.417000 1.0080 0
+ 7083 WT1 4138 TIP3 OH2 OT -0.834000 15.9994 0
+ 7084 WT1 4138 TIP3 H1 HT 0.417000 1.0080 0
+ 7085 WT1 4138 TIP3 H2 HT 0.417000 1.0080 0
+ 7086 WT1 4139 TIP3 OH2 OT -0.834000 15.9994 0
+ 7087 WT1 4139 TIP3 H1 HT 0.417000 1.0080 0
+ 7088 WT1 4139 TIP3 H2 HT 0.417000 1.0080 0
+ 7089 WT1 4141 TIP3 OH2 OT -0.834000 15.9994 0
+ 7090 WT1 4141 TIP3 H1 HT 0.417000 1.0080 0
+ 7091 WT1 4141 TIP3 H2 HT 0.417000 1.0080 0
+ 7092 WT1 4142 TIP3 OH2 OT -0.834000 15.9994 0
+ 7093 WT1 4142 TIP3 H1 HT 0.417000 1.0080 0
+ 7094 WT1 4142 TIP3 H2 HT 0.417000 1.0080 0
+ 7095 WT1 4143 TIP3 OH2 OT -0.834000 15.9994 0
+ 7096 WT1 4143 TIP3 H1 HT 0.417000 1.0080 0
+ 7097 WT1 4143 TIP3 H2 HT 0.417000 1.0080 0
+ 7098 WT1 4144 TIP3 OH2 OT -0.834000 15.9994 0
+ 7099 WT1 4144 TIP3 H1 HT 0.417000 1.0080 0
+ 7100 WT1 4144 TIP3 H2 HT 0.417000 1.0080 0
+ 7101 WT1 4145 TIP3 OH2 OT -0.834000 15.9994 0
+ 7102 WT1 4145 TIP3 H1 HT 0.417000 1.0080 0
+ 7103 WT1 4145 TIP3 H2 HT 0.417000 1.0080 0
+ 7104 WT1 4146 TIP3 OH2 OT -0.834000 15.9994 0
+ 7105 WT1 4146 TIP3 H1 HT 0.417000 1.0080 0
+ 7106 WT1 4146 TIP3 H2 HT 0.417000 1.0080 0
+ 7107 WT1 4148 TIP3 OH2 OT -0.834000 15.9994 0
+ 7108 WT1 4148 TIP3 H1 HT 0.417000 1.0080 0
+ 7109 WT1 4148 TIP3 H2 HT 0.417000 1.0080 0
+ 7110 WT1 4150 TIP3 OH2 OT -0.834000 15.9994 0
+ 7111 WT1 4150 TIP3 H1 HT 0.417000 1.0080 0
+ 7112 WT1 4150 TIP3 H2 HT 0.417000 1.0080 0
+ 7113 WT1 4151 TIP3 OH2 OT -0.834000 15.9994 0
+ 7114 WT1 4151 TIP3 H1 HT 0.417000 1.0080 0
+ 7115 WT1 4151 TIP3 H2 HT 0.417000 1.0080 0
+ 7116 WT1 4152 TIP3 OH2 OT -0.834000 15.9994 0
+ 7117 WT1 4152 TIP3 H1 HT 0.417000 1.0080 0
+ 7118 WT1 4152 TIP3 H2 HT 0.417000 1.0080 0
+ 7119 WT1 4157 TIP3 OH2 OT -0.834000 15.9994 0
+ 7120 WT1 4157 TIP3 H1 HT 0.417000 1.0080 0
+ 7121 WT1 4157 TIP3 H2 HT 0.417000 1.0080 0
+ 7122 WT1 4158 TIP3 OH2 OT -0.834000 15.9994 0
+ 7123 WT1 4158 TIP3 H1 HT 0.417000 1.0080 0
+ 7124 WT1 4158 TIP3 H2 HT 0.417000 1.0080 0
+ 7125 WT1 4159 TIP3 OH2 OT -0.834000 15.9994 0
+ 7126 WT1 4159 TIP3 H1 HT 0.417000 1.0080 0
+ 7127 WT1 4159 TIP3 H2 HT 0.417000 1.0080 0
+ 7128 WT1 4161 TIP3 OH2 OT -0.834000 15.9994 0
+ 7129 WT1 4161 TIP3 H1 HT 0.417000 1.0080 0
+ 7130 WT1 4161 TIP3 H2 HT 0.417000 1.0080 0
+ 7131 WT1 4164 TIP3 OH2 OT -0.834000 15.9994 0
+ 7132 WT1 4164 TIP3 H1 HT 0.417000 1.0080 0
+ 7133 WT1 4164 TIP3 H2 HT 0.417000 1.0080 0
+ 7134 WT1 4165 TIP3 OH2 OT -0.834000 15.9994 0
+ 7135 WT1 4165 TIP3 H1 HT 0.417000 1.0080 0
+ 7136 WT1 4165 TIP3 H2 HT 0.417000 1.0080 0
+ 7137 WT1 4166 TIP3 OH2 OT -0.834000 15.9994 0
+ 7138 WT1 4166 TIP3 H1 HT 0.417000 1.0080 0
+ 7139 WT1 4166 TIP3 H2 HT 0.417000 1.0080 0
+ 7140 WT1 4168 TIP3 OH2 OT -0.834000 15.9994 0
+ 7141 WT1 4168 TIP3 H1 HT 0.417000 1.0080 0
+ 7142 WT1 4168 TIP3 H2 HT 0.417000 1.0080 0
+ 7143 WT1 4170 TIP3 OH2 OT -0.834000 15.9994 0
+ 7144 WT1 4170 TIP3 H1 HT 0.417000 1.0080 0
+ 7145 WT1 4170 TIP3 H2 HT 0.417000 1.0080 0
+ 7146 WT1 4171 TIP3 OH2 OT -0.834000 15.9994 0
+ 7147 WT1 4171 TIP3 H1 HT 0.417000 1.0080 0
+ 7148 WT1 4171 TIP3 H2 HT 0.417000 1.0080 0
+ 7149 WT1 4179 TIP3 OH2 OT -0.834000 15.9994 0
+ 7150 WT1 4179 TIP3 H1 HT 0.417000 1.0080 0
+ 7151 WT1 4179 TIP3 H2 HT 0.417000 1.0080 0
+ 7152 WT1 4181 TIP3 OH2 OT -0.834000 15.9994 0
+ 7153 WT1 4181 TIP3 H1 HT 0.417000 1.0080 0
+ 7154 WT1 4181 TIP3 H2 HT 0.417000 1.0080 0
+ 7155 WT1 4182 TIP3 OH2 OT -0.834000 15.9994 0
+ 7156 WT1 4182 TIP3 H1 HT 0.417000 1.0080 0
+ 7157 WT1 4182 TIP3 H2 HT 0.417000 1.0080 0
+ 7158 WT1 4183 TIP3 OH2 OT -0.834000 15.9994 0
+ 7159 WT1 4183 TIP3 H1 HT 0.417000 1.0080 0
+ 7160 WT1 4183 TIP3 H2 HT 0.417000 1.0080 0
+ 7161 WT1 4184 TIP3 OH2 OT -0.834000 15.9994 0
+ 7162 WT1 4184 TIP3 H1 HT 0.417000 1.0080 0
+ 7163 WT1 4184 TIP3 H2 HT 0.417000 1.0080 0
+ 7164 WT1 4185 TIP3 OH2 OT -0.834000 15.9994 0
+ 7165 WT1 4185 TIP3 H1 HT 0.417000 1.0080 0
+ 7166 WT1 4185 TIP3 H2 HT 0.417000 1.0080 0
+ 7167 WT1 4188 TIP3 OH2 OT -0.834000 15.9994 0
+ 7168 WT1 4188 TIP3 H1 HT 0.417000 1.0080 0
+ 7169 WT1 4188 TIP3 H2 HT 0.417000 1.0080 0
+ 7170 WT1 4190 TIP3 OH2 OT -0.834000 15.9994 0
+ 7171 WT1 4190 TIP3 H1 HT 0.417000 1.0080 0
+ 7172 WT1 4190 TIP3 H2 HT 0.417000 1.0080 0
+ 7173 WT1 4191 TIP3 OH2 OT -0.834000 15.9994 0
+ 7174 WT1 4191 TIP3 H1 HT 0.417000 1.0080 0
+ 7175 WT1 4191 TIP3 H2 HT 0.417000 1.0080 0
+ 7176 WT1 4194 TIP3 OH2 OT -0.834000 15.9994 0
+ 7177 WT1 4194 TIP3 H1 HT 0.417000 1.0080 0
+ 7178 WT1 4194 TIP3 H2 HT 0.417000 1.0080 0
+ 7179 WT1 4198 TIP3 OH2 OT -0.834000 15.9994 0
+ 7180 WT1 4198 TIP3 H1 HT 0.417000 1.0080 0
+ 7181 WT1 4198 TIP3 H2 HT 0.417000 1.0080 0
+ 7182 WT1 4200 TIP3 OH2 OT -0.834000 15.9994 0
+ 7183 WT1 4200 TIP3 H1 HT 0.417000 1.0080 0
+ 7184 WT1 4200 TIP3 H2 HT 0.417000 1.0080 0
+ 7185 WT1 4201 TIP3 OH2 OT -0.834000 15.9994 0
+ 7186 WT1 4201 TIP3 H1 HT 0.417000 1.0080 0
+ 7187 WT1 4201 TIP3 H2 HT 0.417000 1.0080 0
+ 7188 WT1 4202 TIP3 OH2 OT -0.834000 15.9994 0
+ 7189 WT1 4202 TIP3 H1 HT 0.417000 1.0080 0
+ 7190 WT1 4202 TIP3 H2 HT 0.417000 1.0080 0
+ 7191 WT1 4206 TIP3 OH2 OT -0.834000 15.9994 0
+ 7192 WT1 4206 TIP3 H1 HT 0.417000 1.0080 0
+ 7193 WT1 4206 TIP3 H2 HT 0.417000 1.0080 0
+ 7194 WT1 4207 TIP3 OH2 OT -0.834000 15.9994 0
+ 7195 WT1 4207 TIP3 H1 HT 0.417000 1.0080 0
+ 7196 WT1 4207 TIP3 H2 HT 0.417000 1.0080 0
+ 7197 WT1 4208 TIP3 OH2 OT -0.834000 15.9994 0
+ 7198 WT1 4208 TIP3 H1 HT 0.417000 1.0080 0
+ 7199 WT1 4208 TIP3 H2 HT 0.417000 1.0080 0
+ 7200 WT1 4209 TIP3 OH2 OT -0.834000 15.9994 0
+ 7201 WT1 4209 TIP3 H1 HT 0.417000 1.0080 0
+ 7202 WT1 4209 TIP3 H2 HT 0.417000 1.0080 0
+ 7203 WT1 4210 TIP3 OH2 OT -0.834000 15.9994 0
+ 7204 WT1 4210 TIP3 H1 HT 0.417000 1.0080 0
+ 7205 WT1 4210 TIP3 H2 HT 0.417000 1.0080 0
+ 7206 WT1 4211 TIP3 OH2 OT -0.834000 15.9994 0
+ 7207 WT1 4211 TIP3 H1 HT 0.417000 1.0080 0
+ 7208 WT1 4211 TIP3 H2 HT 0.417000 1.0080 0
+ 7209 WT1 4212 TIP3 OH2 OT -0.834000 15.9994 0
+ 7210 WT1 4212 TIP3 H1 HT 0.417000 1.0080 0
+ 7211 WT1 4212 TIP3 H2 HT 0.417000 1.0080 0
+ 7212 WT1 4213 TIP3 OH2 OT -0.834000 15.9994 0
+ 7213 WT1 4213 TIP3 H1 HT 0.417000 1.0080 0
+ 7214 WT1 4213 TIP3 H2 HT 0.417000 1.0080 0
+ 7215 WT1 4214 TIP3 OH2 OT -0.834000 15.9994 0
+ 7216 WT1 4214 TIP3 H1 HT 0.417000 1.0080 0
+ 7217 WT1 4214 TIP3 H2 HT 0.417000 1.0080 0
+ 7218 WT1 4215 TIP3 OH2 OT -0.834000 15.9994 0
+ 7219 WT1 4215 TIP3 H1 HT 0.417000 1.0080 0
+ 7220 WT1 4215 TIP3 H2 HT 0.417000 1.0080 0
+ 7221 WT1 4216 TIP3 OH2 OT -0.834000 15.9994 0
+ 7222 WT1 4216 TIP3 H1 HT 0.417000 1.0080 0
+ 7223 WT1 4216 TIP3 H2 HT 0.417000 1.0080 0
+ 7224 WT1 4218 TIP3 OH2 OT -0.834000 15.9994 0
+ 7225 WT1 4218 TIP3 H1 HT 0.417000 1.0080 0
+ 7226 WT1 4218 TIP3 H2 HT 0.417000 1.0080 0
+ 7227 WT1 4219 TIP3 OH2 OT -0.834000 15.9994 0
+ 7228 WT1 4219 TIP3 H1 HT 0.417000 1.0080 0
+ 7229 WT1 4219 TIP3 H2 HT 0.417000 1.0080 0
+ 7230 WT1 4224 TIP3 OH2 OT -0.834000 15.9994 0
+ 7231 WT1 4224 TIP3 H1 HT 0.417000 1.0080 0
+ 7232 WT1 4224 TIP3 H2 HT 0.417000 1.0080 0
+ 7233 WT1 4225 TIP3 OH2 OT -0.834000 15.9994 0
+ 7234 WT1 4225 TIP3 H1 HT 0.417000 1.0080 0
+ 7235 WT1 4225 TIP3 H2 HT 0.417000 1.0080 0
+ 7236 WT1 4226 TIP3 OH2 OT -0.834000 15.9994 0
+ 7237 WT1 4226 TIP3 H1 HT 0.417000 1.0080 0
+ 7238 WT1 4226 TIP3 H2 HT 0.417000 1.0080 0
+ 7239 WT1 4227 TIP3 OH2 OT -0.834000 15.9994 0
+ 7240 WT1 4227 TIP3 H1 HT 0.417000 1.0080 0
+ 7241 WT1 4227 TIP3 H2 HT 0.417000 1.0080 0
+ 7242 WT1 4228 TIP3 OH2 OT -0.834000 15.9994 0
+ 7243 WT1 4228 TIP3 H1 HT 0.417000 1.0080 0
+ 7244 WT1 4228 TIP3 H2 HT 0.417000 1.0080 0
+ 7245 WT1 4229 TIP3 OH2 OT -0.834000 15.9994 0
+ 7246 WT1 4229 TIP3 H1 HT 0.417000 1.0080 0
+ 7247 WT1 4229 TIP3 H2 HT 0.417000 1.0080 0
+ 7248 WT1 4231 TIP3 OH2 OT -0.834000 15.9994 0
+ 7249 WT1 4231 TIP3 H1 HT 0.417000 1.0080 0
+ 7250 WT1 4231 TIP3 H2 HT 0.417000 1.0080 0
+ 7251 WT1 4232 TIP3 OH2 OT -0.834000 15.9994 0
+ 7252 WT1 4232 TIP3 H1 HT 0.417000 1.0080 0
+ 7253 WT1 4232 TIP3 H2 HT 0.417000 1.0080 0
+ 7254 WT1 4233 TIP3 OH2 OT -0.834000 15.9994 0
+ 7255 WT1 4233 TIP3 H1 HT 0.417000 1.0080 0
+ 7256 WT1 4233 TIP3 H2 HT 0.417000 1.0080 0
+ 7257 WT1 4234 TIP3 OH2 OT -0.834000 15.9994 0
+ 7258 WT1 4234 TIP3 H1 HT 0.417000 1.0080 0
+ 7259 WT1 4234 TIP3 H2 HT 0.417000 1.0080 0
+ 7260 WT1 4236 TIP3 OH2 OT -0.834000 15.9994 0
+ 7261 WT1 4236 TIP3 H1 HT 0.417000 1.0080 0
+ 7262 WT1 4236 TIP3 H2 HT 0.417000 1.0080 0
+ 7263 WT1 4245 TIP3 OH2 OT -0.834000 15.9994 0
+ 7264 WT1 4245 TIP3 H1 HT 0.417000 1.0080 0
+ 7265 WT1 4245 TIP3 H2 HT 0.417000 1.0080 0
+ 7266 WT1 4246 TIP3 OH2 OT -0.834000 15.9994 0
+ 7267 WT1 4246 TIP3 H1 HT 0.417000 1.0080 0
+ 7268 WT1 4246 TIP3 H2 HT 0.417000 1.0080 0
+ 7269 WT1 4247 TIP3 OH2 OT -0.834000 15.9994 0
+ 7270 WT1 4247 TIP3 H1 HT 0.417000 1.0080 0
+ 7271 WT1 4247 TIP3 H2 HT 0.417000 1.0080 0
+ 7272 WT1 4248 TIP3 OH2 OT -0.834000 15.9994 0
+ 7273 WT1 4248 TIP3 H1 HT 0.417000 1.0080 0
+ 7274 WT1 4248 TIP3 H2 HT 0.417000 1.0080 0
+ 7275 WT1 4249 TIP3 OH2 OT -0.834000 15.9994 0
+ 7276 WT1 4249 TIP3 H1 HT 0.417000 1.0080 0
+ 7277 WT1 4249 TIP3 H2 HT 0.417000 1.0080 0
+ 7278 WT1 4250 TIP3 OH2 OT -0.834000 15.9994 0
+ 7279 WT1 4250 TIP3 H1 HT 0.417000 1.0080 0
+ 7280 WT1 4250 TIP3 H2 HT 0.417000 1.0080 0
+ 7281 WT1 4251 TIP3 OH2 OT -0.834000 15.9994 0
+ 7282 WT1 4251 TIP3 H1 HT 0.417000 1.0080 0
+ 7283 WT1 4251 TIP3 H2 HT 0.417000 1.0080 0
+ 7284 WT1 4252 TIP3 OH2 OT -0.834000 15.9994 0
+ 7285 WT1 4252 TIP3 H1 HT 0.417000 1.0080 0
+ 7286 WT1 4252 TIP3 H2 HT 0.417000 1.0080 0
+ 7287 WT1 4254 TIP3 OH2 OT -0.834000 15.9994 0
+ 7288 WT1 4254 TIP3 H1 HT 0.417000 1.0080 0
+ 7289 WT1 4254 TIP3 H2 HT 0.417000 1.0080 0
+ 7290 WT1 4255 TIP3 OH2 OT -0.834000 15.9994 0
+ 7291 WT1 4255 TIP3 H1 HT 0.417000 1.0080 0
+ 7292 WT1 4255 TIP3 H2 HT 0.417000 1.0080 0
+ 7293 WT1 4260 TIP3 OH2 OT -0.834000 15.9994 0
+ 7294 WT1 4260 TIP3 H1 HT 0.417000 1.0080 0
+ 7295 WT1 4260 TIP3 H2 HT 0.417000 1.0080 0
+ 7296 WT1 4262 TIP3 OH2 OT -0.834000 15.9994 0
+ 7297 WT1 4262 TIP3 H1 HT 0.417000 1.0080 0
+ 7298 WT1 4262 TIP3 H2 HT 0.417000 1.0080 0
+ 7299 WT1 4264 TIP3 OH2 OT -0.834000 15.9994 0
+ 7300 WT1 4264 TIP3 H1 HT 0.417000 1.0080 0
+ 7301 WT1 4264 TIP3 H2 HT 0.417000 1.0080 0
+ 7302 WT1 4266 TIP3 OH2 OT -0.834000 15.9994 0
+ 7303 WT1 4266 TIP3 H1 HT 0.417000 1.0080 0
+ 7304 WT1 4266 TIP3 H2 HT 0.417000 1.0080 0
+ 7305 WT1 4267 TIP3 OH2 OT -0.834000 15.9994 0
+ 7306 WT1 4267 TIP3 H1 HT 0.417000 1.0080 0
+ 7307 WT1 4267 TIP3 H2 HT 0.417000 1.0080 0
+ 7308 WT1 4268 TIP3 OH2 OT -0.834000 15.9994 0
+ 7309 WT1 4268 TIP3 H1 HT 0.417000 1.0080 0
+ 7310 WT1 4268 TIP3 H2 HT 0.417000 1.0080 0
+ 7311 WT1 4269 TIP3 OH2 OT -0.834000 15.9994 0
+ 7312 WT1 4269 TIP3 H1 HT 0.417000 1.0080 0
+ 7313 WT1 4269 TIP3 H2 HT 0.417000 1.0080 0
+ 7314 WT1 4270 TIP3 OH2 OT -0.834000 15.9994 0
+ 7315 WT1 4270 TIP3 H1 HT 0.417000 1.0080 0
+ 7316 WT1 4270 TIP3 H2 HT 0.417000 1.0080 0
+ 7317 WT1 4271 TIP3 OH2 OT -0.834000 15.9994 0
+ 7318 WT1 4271 TIP3 H1 HT 0.417000 1.0080 0
+ 7319 WT1 4271 TIP3 H2 HT 0.417000 1.0080 0
+ 7320 WT1 4272 TIP3 OH2 OT -0.834000 15.9994 0
+ 7321 WT1 4272 TIP3 H1 HT 0.417000 1.0080 0
+ 7322 WT1 4272 TIP3 H2 HT 0.417000 1.0080 0
+ 7323 WT1 4274 TIP3 OH2 OT -0.834000 15.9994 0
+ 7324 WT1 4274 TIP3 H1 HT 0.417000 1.0080 0
+ 7325 WT1 4274 TIP3 H2 HT 0.417000 1.0080 0
+ 7326 WT1 4275 TIP3 OH2 OT -0.834000 15.9994 0
+ 7327 WT1 4275 TIP3 H1 HT 0.417000 1.0080 0
+ 7328 WT1 4275 TIP3 H2 HT 0.417000 1.0080 0
+ 7329 WT1 4277 TIP3 OH2 OT -0.834000 15.9994 0
+ 7330 WT1 4277 TIP3 H1 HT 0.417000 1.0080 0
+ 7331 WT1 4277 TIP3 H2 HT 0.417000 1.0080 0
+ 7332 WT1 4278 TIP3 OH2 OT -0.834000 15.9994 0
+ 7333 WT1 4278 TIP3 H1 HT 0.417000 1.0080 0
+ 7334 WT1 4278 TIP3 H2 HT 0.417000 1.0080 0
+ 7335 WT1 4282 TIP3 OH2 OT -0.834000 15.9994 0
+ 7336 WT1 4282 TIP3 H1 HT 0.417000 1.0080 0
+ 7337 WT1 4282 TIP3 H2 HT 0.417000 1.0080 0
+ 7338 WT1 4287 TIP3 OH2 OT -0.834000 15.9994 0
+ 7339 WT1 4287 TIP3 H1 HT 0.417000 1.0080 0
+ 7340 WT1 4287 TIP3 H2 HT 0.417000 1.0080 0
+ 7341 WT1 4288 TIP3 OH2 OT -0.834000 15.9994 0
+ 7342 WT1 4288 TIP3 H1 HT 0.417000 1.0080 0
+ 7343 WT1 4288 TIP3 H2 HT 0.417000 1.0080 0
+ 7344 WT1 4289 TIP3 OH2 OT -0.834000 15.9994 0
+ 7345 WT1 4289 TIP3 H1 HT 0.417000 1.0080 0
+ 7346 WT1 4289 TIP3 H2 HT 0.417000 1.0080 0
+ 7347 WT1 4290 TIP3 OH2 OT -0.834000 15.9994 0
+ 7348 WT1 4290 TIP3 H1 HT 0.417000 1.0080 0
+ 7349 WT1 4290 TIP3 H2 HT 0.417000 1.0080 0
+ 7350 WT1 4291 TIP3 OH2 OT -0.834000 15.9994 0
+ 7351 WT1 4291 TIP3 H1 HT 0.417000 1.0080 0
+ 7352 WT1 4291 TIP3 H2 HT 0.417000 1.0080 0
+ 7353 WT1 4292 TIP3 OH2 OT -0.834000 15.9994 0
+ 7354 WT1 4292 TIP3 H1 HT 0.417000 1.0080 0
+ 7355 WT1 4292 TIP3 H2 HT 0.417000 1.0080 0
+ 7356 WT1 4293 TIP3 OH2 OT -0.834000 15.9994 0
+ 7357 WT1 4293 TIP3 H1 HT 0.417000 1.0080 0
+ 7358 WT1 4293 TIP3 H2 HT 0.417000 1.0080 0
+ 7359 WT1 4294 TIP3 OH2 OT -0.834000 15.9994 0
+ 7360 WT1 4294 TIP3 H1 HT 0.417000 1.0080 0
+ 7361 WT1 4294 TIP3 H2 HT 0.417000 1.0080 0
+ 7362 WT1 4295 TIP3 OH2 OT -0.834000 15.9994 0
+ 7363 WT1 4295 TIP3 H1 HT 0.417000 1.0080 0
+ 7364 WT1 4295 TIP3 H2 HT 0.417000 1.0080 0
+ 7365 WT1 4296 TIP3 OH2 OT -0.834000 15.9994 0
+ 7366 WT1 4296 TIP3 H1 HT 0.417000 1.0080 0
+ 7367 WT1 4296 TIP3 H2 HT 0.417000 1.0080 0
+ 7368 WT1 4297 TIP3 OH2 OT -0.834000 15.9994 0
+ 7369 WT1 4297 TIP3 H1 HT 0.417000 1.0080 0
+ 7370 WT1 4297 TIP3 H2 HT 0.417000 1.0080 0
+ 7371 WT1 4298 TIP3 OH2 OT -0.834000 15.9994 0
+ 7372 WT1 4298 TIP3 H1 HT 0.417000 1.0080 0
+ 7373 WT1 4298 TIP3 H2 HT 0.417000 1.0080 0
+ 7374 WT1 4304 TIP3 OH2 OT -0.834000 15.9994 0
+ 7375 WT1 4304 TIP3 H1 HT 0.417000 1.0080 0
+ 7376 WT1 4304 TIP3 H2 HT 0.417000 1.0080 0
+ 7377 WT1 4306 TIP3 OH2 OT -0.834000 15.9994 0
+ 7378 WT1 4306 TIP3 H1 HT 0.417000 1.0080 0
+ 7379 WT1 4306 TIP3 H2 HT 0.417000 1.0080 0
+ 7380 WT1 4307 TIP3 OH2 OT -0.834000 15.9994 0
+ 7381 WT1 4307 TIP3 H1 HT 0.417000 1.0080 0
+ 7382 WT1 4307 TIP3 H2 HT 0.417000 1.0080 0
+ 7383 WT1 4308 TIP3 OH2 OT -0.834000 15.9994 0
+ 7384 WT1 4308 TIP3 H1 HT 0.417000 1.0080 0
+ 7385 WT1 4308 TIP3 H2 HT 0.417000 1.0080 0
+ 7386 WT1 4309 TIP3 OH2 OT -0.834000 15.9994 0
+ 7387 WT1 4309 TIP3 H1 HT 0.417000 1.0080 0
+ 7388 WT1 4309 TIP3 H2 HT 0.417000 1.0080 0
+ 7389 WT1 4310 TIP3 OH2 OT -0.834000 15.9994 0
+ 7390 WT1 4310 TIP3 H1 HT 0.417000 1.0080 0
+ 7391 WT1 4310 TIP3 H2 HT 0.417000 1.0080 0
+ 7392 WT1 4311 TIP3 OH2 OT -0.834000 15.9994 0
+ 7393 WT1 4311 TIP3 H1 HT 0.417000 1.0080 0
+ 7394 WT1 4311 TIP3 H2 HT 0.417000 1.0080 0
+ 7395 WT1 4312 TIP3 OH2 OT -0.834000 15.9994 0
+ 7396 WT1 4312 TIP3 H1 HT 0.417000 1.0080 0
+ 7397 WT1 4312 TIP3 H2 HT 0.417000 1.0080 0
+ 7398 WT1 4314 TIP3 OH2 OT -0.834000 15.9994 0
+ 7399 WT1 4314 TIP3 H1 HT 0.417000 1.0080 0
+ 7400 WT1 4314 TIP3 H2 HT 0.417000 1.0080 0
+ 7401 WT1 4315 TIP3 OH2 OT -0.834000 15.9994 0
+ 7402 WT1 4315 TIP3 H1 HT 0.417000 1.0080 0
+ 7403 WT1 4315 TIP3 H2 HT 0.417000 1.0080 0
+ 7404 WT1 4316 TIP3 OH2 OT -0.834000 15.9994 0
+ 7405 WT1 4316 TIP3 H1 HT 0.417000 1.0080 0
+ 7406 WT1 4316 TIP3 H2 HT 0.417000 1.0080 0
+ 7407 WT1 4317 TIP3 OH2 OT -0.834000 15.9994 0
+ 7408 WT1 4317 TIP3 H1 HT 0.417000 1.0080 0
+ 7409 WT1 4317 TIP3 H2 HT 0.417000 1.0080 0
+ 7410 WT1 4318 TIP3 OH2 OT -0.834000 15.9994 0
+ 7411 WT1 4318 TIP3 H1 HT 0.417000 1.0080 0
+ 7412 WT1 4318 TIP3 H2 HT 0.417000 1.0080 0
+ 7413 WT1 4320 TIP3 OH2 OT -0.834000 15.9994 0
+ 7414 WT1 4320 TIP3 H1 HT 0.417000 1.0080 0
+ 7415 WT1 4320 TIP3 H2 HT 0.417000 1.0080 0
+ 7416 WT1 4321 TIP3 OH2 OT -0.834000 15.9994 0
+ 7417 WT1 4321 TIP3 H1 HT 0.417000 1.0080 0
+ 7418 WT1 4321 TIP3 H2 HT 0.417000 1.0080 0
+ 7419 WT1 4322 TIP3 OH2 OT -0.834000 15.9994 0
+ 7420 WT1 4322 TIP3 H1 HT 0.417000 1.0080 0
+ 7421 WT1 4322 TIP3 H2 HT 0.417000 1.0080 0
+ 7422 WT1 4324 TIP3 OH2 OT -0.834000 15.9994 0
+ 7423 WT1 4324 TIP3 H1 HT 0.417000 1.0080 0
+ 7424 WT1 4324 TIP3 H2 HT 0.417000 1.0080 0
+ 7425 WT1 4328 TIP3 OH2 OT -0.834000 15.9994 0
+ 7426 WT1 4328 TIP3 H1 HT 0.417000 1.0080 0
+ 7427 WT1 4328 TIP3 H2 HT 0.417000 1.0080 0
+ 7428 WT1 4329 TIP3 OH2 OT -0.834000 15.9994 0
+ 7429 WT1 4329 TIP3 H1 HT 0.417000 1.0080 0
+ 7430 WT1 4329 TIP3 H2 HT 0.417000 1.0080 0
+ 7431 WT1 4330 TIP3 OH2 OT -0.834000 15.9994 0
+ 7432 WT1 4330 TIP3 H1 HT 0.417000 1.0080 0
+ 7433 WT1 4330 TIP3 H2 HT 0.417000 1.0080 0
+ 7434 WT1 4331 TIP3 OH2 OT -0.834000 15.9994 0
+ 7435 WT1 4331 TIP3 H1 HT 0.417000 1.0080 0
+ 7436 WT1 4331 TIP3 H2 HT 0.417000 1.0080 0
+ 7437 WT1 4332 TIP3 OH2 OT -0.834000 15.9994 0
+ 7438 WT1 4332 TIP3 H1 HT 0.417000 1.0080 0
+ 7439 WT1 4332 TIP3 H2 HT 0.417000 1.0080 0
+ 7440 WT1 4333 TIP3 OH2 OT -0.834000 15.9994 0
+ 7441 WT1 4333 TIP3 H1 HT 0.417000 1.0080 0
+ 7442 WT1 4333 TIP3 H2 HT 0.417000 1.0080 0
+ 7443 WT1 4334 TIP3 OH2 OT -0.834000 15.9994 0
+ 7444 WT1 4334 TIP3 H1 HT 0.417000 1.0080 0
+ 7445 WT1 4334 TIP3 H2 HT 0.417000 1.0080 0
+ 7446 WT1 4335 TIP3 OH2 OT -0.834000 15.9994 0
+ 7447 WT1 4335 TIP3 H1 HT 0.417000 1.0080 0
+ 7448 WT1 4335 TIP3 H2 HT 0.417000 1.0080 0
+ 7449 WT1 4336 TIP3 OH2 OT -0.834000 15.9994 0
+ 7450 WT1 4336 TIP3 H1 HT 0.417000 1.0080 0
+ 7451 WT1 4336 TIP3 H2 HT 0.417000 1.0080 0
+ 7452 WT1 4337 TIP3 OH2 OT -0.834000 15.9994 0
+ 7453 WT1 4337 TIP3 H1 HT 0.417000 1.0080 0
+ 7454 WT1 4337 TIP3 H2 HT 0.417000 1.0080 0
+ 7455 WT1 4338 TIP3 OH2 OT -0.834000 15.9994 0
+ 7456 WT1 4338 TIP3 H1 HT 0.417000 1.0080 0
+ 7457 WT1 4338 TIP3 H2 HT 0.417000 1.0080 0
+ 7458 WT1 4339 TIP3 OH2 OT -0.834000 15.9994 0
+ 7459 WT1 4339 TIP3 H1 HT 0.417000 1.0080 0
+ 7460 WT1 4339 TIP3 H2 HT 0.417000 1.0080 0
+ 7461 WT1 4349 TIP3 OH2 OT -0.834000 15.9994 0
+ 7462 WT1 4349 TIP3 H1 HT 0.417000 1.0080 0
+ 7463 WT1 4349 TIP3 H2 HT 0.417000 1.0080 0
+ 7464 WT1 4350 TIP3 OH2 OT -0.834000 15.9994 0
+ 7465 WT1 4350 TIP3 H1 HT 0.417000 1.0080 0
+ 7466 WT1 4350 TIP3 H2 HT 0.417000 1.0080 0
+ 7467 WT1 4351 TIP3 OH2 OT -0.834000 15.9994 0
+ 7468 WT1 4351 TIP3 H1 HT 0.417000 1.0080 0
+ 7469 WT1 4351 TIP3 H2 HT 0.417000 1.0080 0
+ 7470 WT1 4352 TIP3 OH2 OT -0.834000 15.9994 0
+ 7471 WT1 4352 TIP3 H1 HT 0.417000 1.0080 0
+ 7472 WT1 4352 TIP3 H2 HT 0.417000 1.0080 0
+ 7473 WT1 4353 TIP3 OH2 OT -0.834000 15.9994 0
+ 7474 WT1 4353 TIP3 H1 HT 0.417000 1.0080 0
+ 7475 WT1 4353 TIP3 H2 HT 0.417000 1.0080 0
+ 7476 WT1 4354 TIP3 OH2 OT -0.834000 15.9994 0
+ 7477 WT1 4354 TIP3 H1 HT 0.417000 1.0080 0
+ 7478 WT1 4354 TIP3 H2 HT 0.417000 1.0080 0
+ 7479 WT1 4355 TIP3 OH2 OT -0.834000 15.9994 0
+ 7480 WT1 4355 TIP3 H1 HT 0.417000 1.0080 0
+ 7481 WT1 4355 TIP3 H2 HT 0.417000 1.0080 0
+ 7482 WT1 4356 TIP3 OH2 OT -0.834000 15.9994 0
+ 7483 WT1 4356 TIP3 H1 HT 0.417000 1.0080 0
+ 7484 WT1 4356 TIP3 H2 HT 0.417000 1.0080 0
+ 7485 WT1 4357 TIP3 OH2 OT -0.834000 15.9994 0
+ 7486 WT1 4357 TIP3 H1 HT 0.417000 1.0080 0
+ 7487 WT1 4357 TIP3 H2 HT 0.417000 1.0080 0
+ 7488 WT1 4358 TIP3 OH2 OT -0.834000 15.9994 0
+ 7489 WT1 4358 TIP3 H1 HT 0.417000 1.0080 0
+ 7490 WT1 4358 TIP3 H2 HT 0.417000 1.0080 0
+ 7491 WT1 4359 TIP3 OH2 OT -0.834000 15.9994 0
+ 7492 WT1 4359 TIP3 H1 HT 0.417000 1.0080 0
+ 7493 WT1 4359 TIP3 H2 HT 0.417000 1.0080 0
+ 7494 WT1 4360 TIP3 OH2 OT -0.834000 15.9994 0
+ 7495 WT1 4360 TIP3 H1 HT 0.417000 1.0080 0
+ 7496 WT1 4360 TIP3 H2 HT 0.417000 1.0080 0
+ 7497 WT1 4361 TIP3 OH2 OT -0.834000 15.9994 0
+ 7498 WT1 4361 TIP3 H1 HT 0.417000 1.0080 0
+ 7499 WT1 4361 TIP3 H2 HT 0.417000 1.0080 0
+ 7500 WT1 4362 TIP3 OH2 OT -0.834000 15.9994 0
+ 7501 WT1 4362 TIP3 H1 HT 0.417000 1.0080 0
+ 7502 WT1 4362 TIP3 H2 HT 0.417000 1.0080 0
+ 7503 WT1 4363 TIP3 OH2 OT -0.834000 15.9994 0
+ 7504 WT1 4363 TIP3 H1 HT 0.417000 1.0080 0
+ 7505 WT1 4363 TIP3 H2 HT 0.417000 1.0080 0
+ 7506 WT1 4371 TIP3 OH2 OT -0.834000 15.9994 0
+ 7507 WT1 4371 TIP3 H1 HT 0.417000 1.0080 0
+ 7508 WT1 4371 TIP3 H2 HT 0.417000 1.0080 0
+ 7509 WT1 4373 TIP3 OH2 OT -0.834000 15.9994 0
+ 7510 WT1 4373 TIP3 H1 HT 0.417000 1.0080 0
+ 7511 WT1 4373 TIP3 H2 HT 0.417000 1.0080 0
+ 7512 WT1 4375 TIP3 OH2 OT -0.834000 15.9994 0
+ 7513 WT1 4375 TIP3 H1 HT 0.417000 1.0080 0
+ 7514 WT1 4375 TIP3 H2 HT 0.417000 1.0080 0
+ 7515 WT1 4377 TIP3 OH2 OT -0.834000 15.9994 0
+ 7516 WT1 4377 TIP3 H1 HT 0.417000 1.0080 0
+ 7517 WT1 4377 TIP3 H2 HT 0.417000 1.0080 0
+ 7518 WT1 4378 TIP3 OH2 OT -0.834000 15.9994 0
+ 7519 WT1 4378 TIP3 H1 HT 0.417000 1.0080 0
+ 7520 WT1 4378 TIP3 H2 HT 0.417000 1.0080 0
+ 7521 WT1 4379 TIP3 OH2 OT -0.834000 15.9994 0
+ 7522 WT1 4379 TIP3 H1 HT 0.417000 1.0080 0
+ 7523 WT1 4379 TIP3 H2 HT 0.417000 1.0080 0
+ 7524 WT1 4380 TIP3 OH2 OT -0.834000 15.9994 0
+ 7525 WT1 4380 TIP3 H1 HT 0.417000 1.0080 0
+ 7526 WT1 4380 TIP3 H2 HT 0.417000 1.0080 0
+ 7527 WT1 4382 TIP3 OH2 OT -0.834000 15.9994 0
+ 7528 WT1 4382 TIP3 H1 HT 0.417000 1.0080 0
+ 7529 WT1 4382 TIP3 H2 HT 0.417000 1.0080 0
+ 7530 WT1 4383 TIP3 OH2 OT -0.834000 15.9994 0
+ 7531 WT1 4383 TIP3 H1 HT 0.417000 1.0080 0
+ 7532 WT1 4383 TIP3 H2 HT 0.417000 1.0080 0
+ 7533 WT1 4387 TIP3 OH2 OT -0.834000 15.9994 0
+ 7534 WT1 4387 TIP3 H1 HT 0.417000 1.0080 0
+ 7535 WT1 4387 TIP3 H2 HT 0.417000 1.0080 0
+ 7536 WT1 4391 TIP3 OH2 OT -0.834000 15.9994 0
+ 7537 WT1 4391 TIP3 H1 HT 0.417000 1.0080 0
+ 7538 WT1 4391 TIP3 H2 HT 0.417000 1.0080 0
+ 7539 WT1 4392 TIP3 OH2 OT -0.834000 15.9994 0
+ 7540 WT1 4392 TIP3 H1 HT 0.417000 1.0080 0
+ 7541 WT1 4392 TIP3 H2 HT 0.417000 1.0080 0
+ 7542 WT1 4393 TIP3 OH2 OT -0.834000 15.9994 0
+ 7543 WT1 4393 TIP3 H1 HT 0.417000 1.0080 0
+ 7544 WT1 4393 TIP3 H2 HT 0.417000 1.0080 0
+ 7545 WT1 4394 TIP3 OH2 OT -0.834000 15.9994 0
+ 7546 WT1 4394 TIP3 H1 HT 0.417000 1.0080 0
+ 7547 WT1 4394 TIP3 H2 HT 0.417000 1.0080 0
+ 7548 WT1 4395 TIP3 OH2 OT -0.834000 15.9994 0
+ 7549 WT1 4395 TIP3 H1 HT 0.417000 1.0080 0
+ 7550 WT1 4395 TIP3 H2 HT 0.417000 1.0080 0
+ 7551 WT1 4396 TIP3 OH2 OT -0.834000 15.9994 0
+ 7552 WT1 4396 TIP3 H1 HT 0.417000 1.0080 0
+ 7553 WT1 4396 TIP3 H2 HT 0.417000 1.0080 0
+ 7554 WT1 4397 TIP3 OH2 OT -0.834000 15.9994 0
+ 7555 WT1 4397 TIP3 H1 HT 0.417000 1.0080 0
+ 7556 WT1 4397 TIP3 H2 HT 0.417000 1.0080 0
+ 7557 WT1 4398 TIP3 OH2 OT -0.834000 15.9994 0
+ 7558 WT1 4398 TIP3 H1 HT 0.417000 1.0080 0
+ 7559 WT1 4398 TIP3 H2 HT 0.417000 1.0080 0
+ 7560 WT1 4400 TIP3 OH2 OT -0.834000 15.9994 0
+ 7561 WT1 4400 TIP3 H1 HT 0.417000 1.0080 0
+ 7562 WT1 4400 TIP3 H2 HT 0.417000 1.0080 0
+ 7563 WT1 4401 TIP3 OH2 OT -0.834000 15.9994 0
+ 7564 WT1 4401 TIP3 H1 HT 0.417000 1.0080 0
+ 7565 WT1 4401 TIP3 H2 HT 0.417000 1.0080 0
+ 7566 WT1 4402 TIP3 OH2 OT -0.834000 15.9994 0
+ 7567 WT1 4402 TIP3 H1 HT 0.417000 1.0080 0
+ 7568 WT1 4402 TIP3 H2 HT 0.417000 1.0080 0
+ 7569 WT1 4404 TIP3 OH2 OT -0.834000 15.9994 0
+ 7570 WT1 4404 TIP3 H1 HT 0.417000 1.0080 0
+ 7571 WT1 4404 TIP3 H2 HT 0.417000 1.0080 0
+ 7572 WT1 4406 TIP3 OH2 OT -0.834000 15.9994 0
+ 7573 WT1 4406 TIP3 H1 HT 0.417000 1.0080 0
+ 7574 WT1 4406 TIP3 H2 HT 0.417000 1.0080 0
+ 7575 WT1 4407 TIP3 OH2 OT -0.834000 15.9994 0
+ 7576 WT1 4407 TIP3 H1 HT 0.417000 1.0080 0
+ 7577 WT1 4407 TIP3 H2 HT 0.417000 1.0080 0
+ 7578 WT1 4411 TIP3 OH2 OT -0.834000 15.9994 0
+ 7579 WT1 4411 TIP3 H1 HT 0.417000 1.0080 0
+ 7580 WT1 4411 TIP3 H2 HT 0.417000 1.0080 0
+ 7581 WT1 4413 TIP3 OH2 OT -0.834000 15.9994 0
+ 7582 WT1 4413 TIP3 H1 HT 0.417000 1.0080 0
+ 7583 WT1 4413 TIP3 H2 HT 0.417000 1.0080 0
+ 7584 WT1 4414 TIP3 OH2 OT -0.834000 15.9994 0
+ 7585 WT1 4414 TIP3 H1 HT 0.417000 1.0080 0
+ 7586 WT1 4414 TIP3 H2 HT 0.417000 1.0080 0
+ 7587 WT1 4417 TIP3 OH2 OT -0.834000 15.9994 0
+ 7588 WT1 4417 TIP3 H1 HT 0.417000 1.0080 0
+ 7589 WT1 4417 TIP3 H2 HT 0.417000 1.0080 0
+ 7590 WT1 4418 TIP3 OH2 OT -0.834000 15.9994 0
+ 7591 WT1 4418 TIP3 H1 HT 0.417000 1.0080 0
+ 7592 WT1 4418 TIP3 H2 HT 0.417000 1.0080 0
+ 7593 WT1 4419 TIP3 OH2 OT -0.834000 15.9994 0
+ 7594 WT1 4419 TIP3 H1 HT 0.417000 1.0080 0
+ 7595 WT1 4419 TIP3 H2 HT 0.417000 1.0080 0
+ 7596 WT1 4421 TIP3 OH2 OT -0.834000 15.9994 0
+ 7597 WT1 4421 TIP3 H1 HT 0.417000 1.0080 0
+ 7598 WT1 4421 TIP3 H2 HT 0.417000 1.0080 0
+ 7599 WT1 4422 TIP3 OH2 OT -0.834000 15.9994 0
+ 7600 WT1 4422 TIP3 H1 HT 0.417000 1.0080 0
+ 7601 WT1 4422 TIP3 H2 HT 0.417000 1.0080 0
+ 7602 WT1 4423 TIP3 OH2 OT -0.834000 15.9994 0
+ 7603 WT1 4423 TIP3 H1 HT 0.417000 1.0080 0
+ 7604 WT1 4423 TIP3 H2 HT 0.417000 1.0080 0
+ 7605 WT1 4424 TIP3 OH2 OT -0.834000 15.9994 0
+ 7606 WT1 4424 TIP3 H1 HT 0.417000 1.0080 0
+ 7607 WT1 4424 TIP3 H2 HT 0.417000 1.0080 0
+ 7608 WT1 4425 TIP3 OH2 OT -0.834000 15.9994 0
+ 7609 WT1 4425 TIP3 H1 HT 0.417000 1.0080 0
+ 7610 WT1 4425 TIP3 H2 HT 0.417000 1.0080 0
+ 7611 WT1 4432 TIP3 OH2 OT -0.834000 15.9994 0
+ 7612 WT1 4432 TIP3 H1 HT 0.417000 1.0080 0
+ 7613 WT1 4432 TIP3 H2 HT 0.417000 1.0080 0
+ 7614 WT1 4434 TIP3 OH2 OT -0.834000 15.9994 0
+ 7615 WT1 4434 TIP3 H1 HT 0.417000 1.0080 0
+ 7616 WT1 4434 TIP3 H2 HT 0.417000 1.0080 0
+ 7617 WT1 4435 TIP3 OH2 OT -0.834000 15.9994 0
+ 7618 WT1 4435 TIP3 H1 HT 0.417000 1.0080 0
+ 7619 WT1 4435 TIP3 H2 HT 0.417000 1.0080 0
+ 7620 WT1 4437 TIP3 OH2 OT -0.834000 15.9994 0
+ 7621 WT1 4437 TIP3 H1 HT 0.417000 1.0080 0
+ 7622 WT1 4437 TIP3 H2 HT 0.417000 1.0080 0
+ 7623 WT1 4438 TIP3 OH2 OT -0.834000 15.9994 0
+ 7624 WT1 4438 TIP3 H1 HT 0.417000 1.0080 0
+ 7625 WT1 4438 TIP3 H2 HT 0.417000 1.0080 0
+ 7626 WT1 4439 TIP3 OH2 OT -0.834000 15.9994 0
+ 7627 WT1 4439 TIP3 H1 HT 0.417000 1.0080 0
+ 7628 WT1 4439 TIP3 H2 HT 0.417000 1.0080 0
+ 7629 WT1 4440 TIP3 OH2 OT -0.834000 15.9994 0
+ 7630 WT1 4440 TIP3 H1 HT 0.417000 1.0080 0
+ 7631 WT1 4440 TIP3 H2 HT 0.417000 1.0080 0
+ 7632 WT1 4441 TIP3 OH2 OT -0.834000 15.9994 0
+ 7633 WT1 4441 TIP3 H1 HT 0.417000 1.0080 0
+ 7634 WT1 4441 TIP3 H2 HT 0.417000 1.0080 0
+ 7635 WT1 4442 TIP3 OH2 OT -0.834000 15.9994 0
+ 7636 WT1 4442 TIP3 H1 HT 0.417000 1.0080 0
+ 7637 WT1 4442 TIP3 H2 HT 0.417000 1.0080 0
+ 7638 WT1 4443 TIP3 OH2 OT -0.834000 15.9994 0
+ 7639 WT1 4443 TIP3 H1 HT 0.417000 1.0080 0
+ 7640 WT1 4443 TIP3 H2 HT 0.417000 1.0080 0
+ 7641 WT1 4446 TIP3 OH2 OT -0.834000 15.9994 0
+ 7642 WT1 4446 TIP3 H1 HT 0.417000 1.0080 0
+ 7643 WT1 4446 TIP3 H2 HT 0.417000 1.0080 0
+ 7644 WT1 4450 TIP3 OH2 OT -0.834000 15.9994 0
+ 7645 WT1 4450 TIP3 H1 HT 0.417000 1.0080 0
+ 7646 WT1 4450 TIP3 H2 HT 0.417000 1.0080 0
+ 7647 WT1 4452 TIP3 OH2 OT -0.834000 15.9994 0
+ 7648 WT1 4452 TIP3 H1 HT 0.417000 1.0080 0
+ 7649 WT1 4452 TIP3 H2 HT 0.417000 1.0080 0
+ 7650 WT1 4453 TIP3 OH2 OT -0.834000 15.9994 0
+ 7651 WT1 4453 TIP3 H1 HT 0.417000 1.0080 0
+ 7652 WT1 4453 TIP3 H2 HT 0.417000 1.0080 0
+ 7653 WT1 4455 TIP3 OH2 OT -0.834000 15.9994 0
+ 7654 WT1 4455 TIP3 H1 HT 0.417000 1.0080 0
+ 7655 WT1 4455 TIP3 H2 HT 0.417000 1.0080 0
+ 7656 WT1 4456 TIP3 OH2 OT -0.834000 15.9994 0
+ 7657 WT1 4456 TIP3 H1 HT 0.417000 1.0080 0
+ 7658 WT1 4456 TIP3 H2 HT 0.417000 1.0080 0
+ 7659 WT1 4457 TIP3 OH2 OT -0.834000 15.9994 0
+ 7660 WT1 4457 TIP3 H1 HT 0.417000 1.0080 0
+ 7661 WT1 4457 TIP3 H2 HT 0.417000 1.0080 0
+ 7662 WT1 4460 TIP3 OH2 OT -0.834000 15.9994 0
+ 7663 WT1 4460 TIP3 H1 HT 0.417000 1.0080 0
+ 7664 WT1 4460 TIP3 H2 HT 0.417000 1.0080 0
+ 7665 WT1 4461 TIP3 OH2 OT -0.834000 15.9994 0
+ 7666 WT1 4461 TIP3 H1 HT 0.417000 1.0080 0
+ 7667 WT1 4461 TIP3 H2 HT 0.417000 1.0080 0
+ 7668 WT1 4462 TIP3 OH2 OT -0.834000 15.9994 0
+ 7669 WT1 4462 TIP3 H1 HT 0.417000 1.0080 0
+ 7670 WT1 4462 TIP3 H2 HT 0.417000 1.0080 0
+ 7671 WT1 4463 TIP3 OH2 OT -0.834000 15.9994 0
+ 7672 WT1 4463 TIP3 H1 HT 0.417000 1.0080 0
+ 7673 WT1 4463 TIP3 H2 HT 0.417000 1.0080 0
+ 7674 WT1 4465 TIP3 OH2 OT -0.834000 15.9994 0
+ 7675 WT1 4465 TIP3 H1 HT 0.417000 1.0080 0
+ 7676 WT1 4465 TIP3 H2 HT 0.417000 1.0080 0
+ 7677 WT1 4466 TIP3 OH2 OT -0.834000 15.9994 0
+ 7678 WT1 4466 TIP3 H1 HT 0.417000 1.0080 0
+ 7679 WT1 4466 TIP3 H2 HT 0.417000 1.0080 0
+ 7680 WT1 4469 TIP3 OH2 OT -0.834000 15.9994 0
+ 7681 WT1 4469 TIP3 H1 HT 0.417000 1.0080 0
+ 7682 WT1 4469 TIP3 H2 HT 0.417000 1.0080 0
+ 7683 WT1 4470 TIP3 OH2 OT -0.834000 15.9994 0
+ 7684 WT1 4470 TIP3 H1 HT 0.417000 1.0080 0
+ 7685 WT1 4470 TIP3 H2 HT 0.417000 1.0080 0
+ 7686 WT1 4473 TIP3 OH2 OT -0.834000 15.9994 0
+ 7687 WT1 4473 TIP3 H1 HT 0.417000 1.0080 0
+ 7688 WT1 4473 TIP3 H2 HT 0.417000 1.0080 0
+ 7689 WT1 4474 TIP3 OH2 OT -0.834000 15.9994 0
+ 7690 WT1 4474 TIP3 H1 HT 0.417000 1.0080 0
+ 7691 WT1 4474 TIP3 H2 HT 0.417000 1.0080 0
+ 7692 WT1 4477 TIP3 OH2 OT -0.834000 15.9994 0
+ 7693 WT1 4477 TIP3 H1 HT 0.417000 1.0080 0
+ 7694 WT1 4477 TIP3 H2 HT 0.417000 1.0080 0
+ 7695 WT1 4479 TIP3 OH2 OT -0.834000 15.9994 0
+ 7696 WT1 4479 TIP3 H1 HT 0.417000 1.0080 0
+ 7697 WT1 4479 TIP3 H2 HT 0.417000 1.0080 0
+ 7698 WT1 4482 TIP3 OH2 OT -0.834000 15.9994 0
+ 7699 WT1 4482 TIP3 H1 HT 0.417000 1.0080 0
+ 7700 WT1 4482 TIP3 H2 HT 0.417000 1.0080 0
+ 7701 WT1 4483 TIP3 OH2 OT -0.834000 15.9994 0
+ 7702 WT1 4483 TIP3 H1 HT 0.417000 1.0080 0
+ 7703 WT1 4483 TIP3 H2 HT 0.417000 1.0080 0
+ 7704 WT1 4485 TIP3 OH2 OT -0.834000 15.9994 0
+ 7705 WT1 4485 TIP3 H1 HT 0.417000 1.0080 0
+ 7706 WT1 4485 TIP3 H2 HT 0.417000 1.0080 0
+ 7707 WT1 4488 TIP3 OH2 OT -0.834000 15.9994 0
+ 7708 WT1 4488 TIP3 H1 HT 0.417000 1.0080 0
+ 7709 WT1 4488 TIP3 H2 HT 0.417000 1.0080 0
+ 7710 WT1 4492 TIP3 OH2 OT -0.834000 15.9994 0
+ 7711 WT1 4492 TIP3 H1 HT 0.417000 1.0080 0
+ 7712 WT1 4492 TIP3 H2 HT 0.417000 1.0080 0
+ 7713 WT1 4496 TIP3 OH2 OT -0.834000 15.9994 0
+ 7714 WT1 4496 TIP3 H1 HT 0.417000 1.0080 0
+ 7715 WT1 4496 TIP3 H2 HT 0.417000 1.0080 0
+ 7716 WT1 4497 TIP3 OH2 OT -0.834000 15.9994 0
+ 7717 WT1 4497 TIP3 H1 HT 0.417000 1.0080 0
+ 7718 WT1 4497 TIP3 H2 HT 0.417000 1.0080 0
+ 7719 WT1 4498 TIP3 OH2 OT -0.834000 15.9994 0
+ 7720 WT1 4498 TIP3 H1 HT 0.417000 1.0080 0
+ 7721 WT1 4498 TIP3 H2 HT 0.417000 1.0080 0
+ 7722 WT1 4499 TIP3 OH2 OT -0.834000 15.9994 0
+ 7723 WT1 4499 TIP3 H1 HT 0.417000 1.0080 0
+ 7724 WT1 4499 TIP3 H2 HT 0.417000 1.0080 0
+ 7725 WT1 4500 TIP3 OH2 OT -0.834000 15.9994 0
+ 7726 WT1 4500 TIP3 H1 HT 0.417000 1.0080 0
+ 7727 WT1 4500 TIP3 H2 HT 0.417000 1.0080 0
+ 7728 WT1 4501 TIP3 OH2 OT -0.834000 15.9994 0
+ 7729 WT1 4501 TIP3 H1 HT 0.417000 1.0080 0
+ 7730 WT1 4501 TIP3 H2 HT 0.417000 1.0080 0
+ 7731 WT1 4503 TIP3 OH2 OT -0.834000 15.9994 0
+ 7732 WT1 4503 TIP3 H1 HT 0.417000 1.0080 0
+ 7733 WT1 4503 TIP3 H2 HT 0.417000 1.0080 0
+ 7734 WT1 4504 TIP3 OH2 OT -0.834000 15.9994 0
+ 7735 WT1 4504 TIP3 H1 HT 0.417000 1.0080 0
+ 7736 WT1 4504 TIP3 H2 HT 0.417000 1.0080 0
+ 7737 WT1 4505 TIP3 OH2 OT -0.834000 15.9994 0
+ 7738 WT1 4505 TIP3 H1 HT 0.417000 1.0080 0
+ 7739 WT1 4505 TIP3 H2 HT 0.417000 1.0080 0
+ 7740 WT1 4506 TIP3 OH2 OT -0.834000 15.9994 0
+ 7741 WT1 4506 TIP3 H1 HT 0.417000 1.0080 0
+ 7742 WT1 4506 TIP3 H2 HT 0.417000 1.0080 0
+ 7743 WT1 4507 TIP3 OH2 OT -0.834000 15.9994 0
+ 7744 WT1 4507 TIP3 H1 HT 0.417000 1.0080 0
+ 7745 WT1 4507 TIP3 H2 HT 0.417000 1.0080 0
+ 7746 WT1 4508 TIP3 OH2 OT -0.834000 15.9994 0
+ 7747 WT1 4508 TIP3 H1 HT 0.417000 1.0080 0
+ 7748 WT1 4508 TIP3 H2 HT 0.417000 1.0080 0
+ 7749 WT1 4509 TIP3 OH2 OT -0.834000 15.9994 0
+ 7750 WT1 4509 TIP3 H1 HT 0.417000 1.0080 0
+ 7751 WT1 4509 TIP3 H2 HT 0.417000 1.0080 0
+ 7752 WT1 4513 TIP3 OH2 OT -0.834000 15.9994 0
+ 7753 WT1 4513 TIP3 H1 HT 0.417000 1.0080 0
+ 7754 WT1 4513 TIP3 H2 HT 0.417000 1.0080 0
+ 7755 WT1 4515 TIP3 OH2 OT -0.834000 15.9994 0
+ 7756 WT1 4515 TIP3 H1 HT 0.417000 1.0080 0
+ 7757 WT1 4515 TIP3 H2 HT 0.417000 1.0080 0
+ 7758 WT1 4516 TIP3 OH2 OT -0.834000 15.9994 0
+ 7759 WT1 4516 TIP3 H1 HT 0.417000 1.0080 0
+ 7760 WT1 4516 TIP3 H2 HT 0.417000 1.0080 0
+ 7761 WT1 4518 TIP3 OH2 OT -0.834000 15.9994 0
+ 7762 WT1 4518 TIP3 H1 HT 0.417000 1.0080 0
+ 7763 WT1 4518 TIP3 H2 HT 0.417000 1.0080 0
+ 7764 WT1 4519 TIP3 OH2 OT -0.834000 15.9994 0
+ 7765 WT1 4519 TIP3 H1 HT 0.417000 1.0080 0
+ 7766 WT1 4519 TIP3 H2 HT 0.417000 1.0080 0
+ 7767 WT1 4520 TIP3 OH2 OT -0.834000 15.9994 0
+ 7768 WT1 4520 TIP3 H1 HT 0.417000 1.0080 0
+ 7769 WT1 4520 TIP3 H2 HT 0.417000 1.0080 0
+ 7770 WT1 4521 TIP3 OH2 OT -0.834000 15.9994 0
+ 7771 WT1 4521 TIP3 H1 HT 0.417000 1.0080 0
+ 7772 WT1 4521 TIP3 H2 HT 0.417000 1.0080 0
+ 7773 WT1 4522 TIP3 OH2 OT -0.834000 15.9994 0
+ 7774 WT1 4522 TIP3 H1 HT 0.417000 1.0080 0
+ 7775 WT1 4522 TIP3 H2 HT 0.417000 1.0080 0
+ 7776 WT1 4523 TIP3 OH2 OT -0.834000 15.9994 0
+ 7777 WT1 4523 TIP3 H1 HT 0.417000 1.0080 0
+ 7778 WT1 4523 TIP3 H2 HT 0.417000 1.0080 0
+ 7779 WT1 4524 TIP3 OH2 OT -0.834000 15.9994 0
+ 7780 WT1 4524 TIP3 H1 HT 0.417000 1.0080 0
+ 7781 WT1 4524 TIP3 H2 HT 0.417000 1.0080 0
+ 7782 WT1 4525 TIP3 OH2 OT -0.834000 15.9994 0
+ 7783 WT1 4525 TIP3 H1 HT 0.417000 1.0080 0
+ 7784 WT1 4525 TIP3 H2 HT 0.417000 1.0080 0
+ 7785 WT1 4536 TIP3 OH2 OT -0.834000 15.9994 0
+ 7786 WT1 4536 TIP3 H1 HT 0.417000 1.0080 0
+ 7787 WT1 4536 TIP3 H2 HT 0.417000 1.0080 0
+ 7788 WT1 4537 TIP3 OH2 OT -0.834000 15.9994 0
+ 7789 WT1 4537 TIP3 H1 HT 0.417000 1.0080 0
+ 7790 WT1 4537 TIP3 H2 HT 0.417000 1.0080 0
+ 7791 WT1 4538 TIP3 OH2 OT -0.834000 15.9994 0
+ 7792 WT1 4538 TIP3 H1 HT 0.417000 1.0080 0
+ 7793 WT1 4538 TIP3 H2 HT 0.417000 1.0080 0
+ 7794 WT1 4540 TIP3 OH2 OT -0.834000 15.9994 0
+ 7795 WT1 4540 TIP3 H1 HT 0.417000 1.0080 0
+ 7796 WT1 4540 TIP3 H2 HT 0.417000 1.0080 0
+ 7797 WT1 4541 TIP3 OH2 OT -0.834000 15.9994 0
+ 7798 WT1 4541 TIP3 H1 HT 0.417000 1.0080 0
+ 7799 WT1 4541 TIP3 H2 HT 0.417000 1.0080 0
+ 7800 WT1 4543 TIP3 OH2 OT -0.834000 15.9994 0
+ 7801 WT1 4543 TIP3 H1 HT 0.417000 1.0080 0
+ 7802 WT1 4543 TIP3 H2 HT 0.417000 1.0080 0
+ 7803 WT1 4545 TIP3 OH2 OT -0.834000 15.9994 0
+ 7804 WT1 4545 TIP3 H1 HT 0.417000 1.0080 0
+ 7805 WT1 4545 TIP3 H2 HT 0.417000 1.0080 0
+ 7806 WT1 4548 TIP3 OH2 OT -0.834000 15.9994 0
+ 7807 WT1 4548 TIP3 H1 HT 0.417000 1.0080 0
+ 7808 WT1 4548 TIP3 H2 HT 0.417000 1.0080 0
+ 7809 WT1 4549 TIP3 OH2 OT -0.834000 15.9994 0
+ 7810 WT1 4549 TIP3 H1 HT 0.417000 1.0080 0
+ 7811 WT1 4549 TIP3 H2 HT 0.417000 1.0080 0
+ 7812 WT1 4550 TIP3 OH2 OT -0.834000 15.9994 0
+ 7813 WT1 4550 TIP3 H1 HT 0.417000 1.0080 0
+ 7814 WT1 4550 TIP3 H2 HT 0.417000 1.0080 0
+ 7815 WT1 4551 TIP3 OH2 OT -0.834000 15.9994 0
+ 7816 WT1 4551 TIP3 H1 HT 0.417000 1.0080 0
+ 7817 WT1 4551 TIP3 H2 HT 0.417000 1.0080 0
+ 7818 WT1 4553 TIP3 OH2 OT -0.834000 15.9994 0
+ 7819 WT1 4553 TIP3 H1 HT 0.417000 1.0080 0
+ 7820 WT1 4553 TIP3 H2 HT 0.417000 1.0080 0
+ 7821 WT1 4558 TIP3 OH2 OT -0.834000 15.9994 0
+ 7822 WT1 4558 TIP3 H1 HT 0.417000 1.0080 0
+ 7823 WT1 4558 TIP3 H2 HT 0.417000 1.0080 0
+ 7824 WT1 4559 TIP3 OH2 OT -0.834000 15.9994 0
+ 7825 WT1 4559 TIP3 H1 HT 0.417000 1.0080 0
+ 7826 WT1 4559 TIP3 H2 HT 0.417000 1.0080 0
+ 7827 WT1 4560 TIP3 OH2 OT -0.834000 15.9994 0
+ 7828 WT1 4560 TIP3 H1 HT 0.417000 1.0080 0
+ 7829 WT1 4560 TIP3 H2 HT 0.417000 1.0080 0
+ 7830 WT1 4561 TIP3 OH2 OT -0.834000 15.9994 0
+ 7831 WT1 4561 TIP3 H1 HT 0.417000 1.0080 0
+ 7832 WT1 4561 TIP3 H2 HT 0.417000 1.0080 0
+ 7833 WT1 4562 TIP3 OH2 OT -0.834000 15.9994 0
+ 7834 WT1 4562 TIP3 H1 HT 0.417000 1.0080 0
+ 7835 WT1 4562 TIP3 H2 HT 0.417000 1.0080 0
+ 7836 WT1 4563 TIP3 OH2 OT -0.834000 15.9994 0
+ 7837 WT1 4563 TIP3 H1 HT 0.417000 1.0080 0
+ 7838 WT1 4563 TIP3 H2 HT 0.417000 1.0080 0
+ 7839 WT1 4564 TIP3 OH2 OT -0.834000 15.9994 0
+ 7840 WT1 4564 TIP3 H1 HT 0.417000 1.0080 0
+ 7841 WT1 4564 TIP3 H2 HT 0.417000 1.0080 0
+ 7842 WT1 4566 TIP3 OH2 OT -0.834000 15.9994 0
+ 7843 WT1 4566 TIP3 H1 HT 0.417000 1.0080 0
+ 7844 WT1 4566 TIP3 H2 HT 0.417000 1.0080 0
+ 7845 WT1 4567 TIP3 OH2 OT -0.834000 15.9994 0
+ 7846 WT1 4567 TIP3 H1 HT 0.417000 1.0080 0
+ 7847 WT1 4567 TIP3 H2 HT 0.417000 1.0080 0
+ 7848 WT1 4568 TIP3 OH2 OT -0.834000 15.9994 0
+ 7849 WT1 4568 TIP3 H1 HT 0.417000 1.0080 0
+ 7850 WT1 4568 TIP3 H2 HT 0.417000 1.0080 0
+ 7851 WT1 4569 TIP3 OH2 OT -0.834000 15.9994 0
+ 7852 WT1 4569 TIP3 H1 HT 0.417000 1.0080 0
+ 7853 WT1 4569 TIP3 H2 HT 0.417000 1.0080 0
+ 7854 WT1 4570 TIP3 OH2 OT -0.834000 15.9994 0
+ 7855 WT1 4570 TIP3 H1 HT 0.417000 1.0080 0
+ 7856 WT1 4570 TIP3 H2 HT 0.417000 1.0080 0
+ 7857 WT1 4574 TIP3 OH2 OT -0.834000 15.9994 0
+ 7858 WT1 4574 TIP3 H1 HT 0.417000 1.0080 0
+ 7859 WT1 4574 TIP3 H2 HT 0.417000 1.0080 0
+ 7860 WT1 4578 TIP3 OH2 OT -0.834000 15.9994 0
+ 7861 WT1 4578 TIP3 H1 HT 0.417000 1.0080 0
+ 7862 WT1 4578 TIP3 H2 HT 0.417000 1.0080 0
+ 7863 WT1 4581 TIP3 OH2 OT -0.834000 15.9994 0
+ 7864 WT1 4581 TIP3 H1 HT 0.417000 1.0080 0
+ 7865 WT1 4581 TIP3 H2 HT 0.417000 1.0080 0
+ 7866 WT1 4582 TIP3 OH2 OT -0.834000 15.9994 0
+ 7867 WT1 4582 TIP3 H1 HT 0.417000 1.0080 0
+ 7868 WT1 4582 TIP3 H2 HT 0.417000 1.0080 0
+ 7869 WT1 4585 TIP3 OH2 OT -0.834000 15.9994 0
+ 7870 WT1 4585 TIP3 H1 HT 0.417000 1.0080 0
+ 7871 WT1 4585 TIP3 H2 HT 0.417000 1.0080 0
+ 7872 WT1 4587 TIP3 OH2 OT -0.834000 15.9994 0
+ 7873 WT1 4587 TIP3 H1 HT 0.417000 1.0080 0
+ 7874 WT1 4587 TIP3 H2 HT 0.417000 1.0080 0
+ 7875 WT1 4589 TIP3 OH2 OT -0.834000 15.9994 0
+ 7876 WT1 4589 TIP3 H1 HT 0.417000 1.0080 0
+ 7877 WT1 4589 TIP3 H2 HT 0.417000 1.0080 0
+ 7878 WT1 4592 TIP3 OH2 OT -0.834000 15.9994 0
+ 7879 WT1 4592 TIP3 H1 HT 0.417000 1.0080 0
+ 7880 WT1 4592 TIP3 H2 HT 0.417000 1.0080 0
+ 7881 WT1 4593 TIP3 OH2 OT -0.834000 15.9994 0
+ 7882 WT1 4593 TIP3 H1 HT 0.417000 1.0080 0
+ 7883 WT1 4593 TIP3 H2 HT 0.417000 1.0080 0
+ 7884 WT1 4595 TIP3 OH2 OT -0.834000 15.9994 0
+ 7885 WT1 4595 TIP3 H1 HT 0.417000 1.0080 0
+ 7886 WT1 4595 TIP3 H2 HT 0.417000 1.0080 0
+ 7887 WT1 4596 TIP3 OH2 OT -0.834000 15.9994 0
+ 7888 WT1 4596 TIP3 H1 HT 0.417000 1.0080 0
+ 7889 WT1 4596 TIP3 H2 HT 0.417000 1.0080 0
+ 7890 WT1 4599 TIP3 OH2 OT -0.834000 15.9994 0
+ 7891 WT1 4599 TIP3 H1 HT 0.417000 1.0080 0
+ 7892 WT1 4599 TIP3 H2 HT 0.417000 1.0080 0
+ 7893 WT1 4600 TIP3 OH2 OT -0.834000 15.9994 0
+ 7894 WT1 4600 TIP3 H1 HT 0.417000 1.0080 0
+ 7895 WT1 4600 TIP3 H2 HT 0.417000 1.0080 0
+ 7896 WT1 4602 TIP3 OH2 OT -0.834000 15.9994 0
+ 7897 WT1 4602 TIP3 H1 HT 0.417000 1.0080 0
+ 7898 WT1 4602 TIP3 H2 HT 0.417000 1.0080 0
+ 7899 WT1 4603 TIP3 OH2 OT -0.834000 15.9994 0
+ 7900 WT1 4603 TIP3 H1 HT 0.417000 1.0080 0
+ 7901 WT1 4603 TIP3 H2 HT 0.417000 1.0080 0
+ 7902 WT1 4604 TIP3 OH2 OT -0.834000 15.9994 0
+ 7903 WT1 4604 TIP3 H1 HT 0.417000 1.0080 0
+ 7904 WT1 4604 TIP3 H2 HT 0.417000 1.0080 0
+ 7905 WT1 4605 TIP3 OH2 OT -0.834000 15.9994 0
+ 7906 WT1 4605 TIP3 H1 HT 0.417000 1.0080 0
+ 7907 WT1 4605 TIP3 H2 HT 0.417000 1.0080 0
+ 7908 WT1 4607 TIP3 OH2 OT -0.834000 15.9994 0
+ 7909 WT1 4607 TIP3 H1 HT 0.417000 1.0080 0
+ 7910 WT1 4607 TIP3 H2 HT 0.417000 1.0080 0
+ 7911 WT1 4608 TIP3 OH2 OT -0.834000 15.9994 0
+ 7912 WT1 4608 TIP3 H1 HT 0.417000 1.0080 0
+ 7913 WT1 4608 TIP3 H2 HT 0.417000 1.0080 0
+ 7914 WT1 4610 TIP3 OH2 OT -0.834000 15.9994 0
+ 7915 WT1 4610 TIP3 H1 HT 0.417000 1.0080 0
+ 7916 WT1 4610 TIP3 H2 HT 0.417000 1.0080 0
+ 7917 WT1 4611 TIP3 OH2 OT -0.834000 15.9994 0
+ 7918 WT1 4611 TIP3 H1 HT 0.417000 1.0080 0
+ 7919 WT1 4611 TIP3 H2 HT 0.417000 1.0080 0
+ 7920 WT1 4613 TIP3 OH2 OT -0.834000 15.9994 0
+ 7921 WT1 4613 TIP3 H1 HT 0.417000 1.0080 0
+ 7922 WT1 4613 TIP3 H2 HT 0.417000 1.0080 0
+ 7923 WT1 4619 TIP3 OH2 OT -0.834000 15.9994 0
+ 7924 WT1 4619 TIP3 H1 HT 0.417000 1.0080 0
+ 7925 WT1 4619 TIP3 H2 HT 0.417000 1.0080 0
+ 7926 WT1 4621 TIP3 OH2 OT -0.834000 15.9994 0
+ 7927 WT1 4621 TIP3 H1 HT 0.417000 1.0080 0
+ 7928 WT1 4621 TIP3 H2 HT 0.417000 1.0080 0
+ 7929 WT1 4622 TIP3 OH2 OT -0.834000 15.9994 0
+ 7930 WT1 4622 TIP3 H1 HT 0.417000 1.0080 0
+ 7931 WT1 4622 TIP3 H2 HT 0.417000 1.0080 0
+ 7932 WT1 4623 TIP3 OH2 OT -0.834000 15.9994 0
+ 7933 WT1 4623 TIP3 H1 HT 0.417000 1.0080 0
+ 7934 WT1 4623 TIP3 H2 HT 0.417000 1.0080 0
+ 7935 WT1 4624 TIP3 OH2 OT -0.834000 15.9994 0
+ 7936 WT1 4624 TIP3 H1 HT 0.417000 1.0080 0
+ 7937 WT1 4624 TIP3 H2 HT 0.417000 1.0080 0
+ 7938 WT1 4625 TIP3 OH2 OT -0.834000 15.9994 0
+ 7939 WT1 4625 TIP3 H1 HT 0.417000 1.0080 0
+ 7940 WT1 4625 TIP3 H2 HT 0.417000 1.0080 0
+ 7941 WT1 4627 TIP3 OH2 OT -0.834000 15.9994 0
+ 7942 WT1 4627 TIP3 H1 HT 0.417000 1.0080 0
+ 7943 WT1 4627 TIP3 H2 HT 0.417000 1.0080 0
+ 7944 WT1 4628 TIP3 OH2 OT -0.834000 15.9994 0
+ 7945 WT1 4628 TIP3 H1 HT 0.417000 1.0080 0
+ 7946 WT1 4628 TIP3 H2 HT 0.417000 1.0080 0
+ 7947 WT1 4631 TIP3 OH2 OT -0.834000 15.9994 0
+ 7948 WT1 4631 TIP3 H1 HT 0.417000 1.0080 0
+ 7949 WT1 4631 TIP3 H2 HT 0.417000 1.0080 0
+ 7950 WT1 4632 TIP3 OH2 OT -0.834000 15.9994 0
+ 7951 WT1 4632 TIP3 H1 HT 0.417000 1.0080 0
+ 7952 WT1 4632 TIP3 H2 HT 0.417000 1.0080 0
+ 7953 WT1 4633 TIP3 OH2 OT -0.834000 15.9994 0
+ 7954 WT1 4633 TIP3 H1 HT 0.417000 1.0080 0
+ 7955 WT1 4633 TIP3 H2 HT 0.417000 1.0080 0
+ 7956 WT1 4634 TIP3 OH2 OT -0.834000 15.9994 0
+ 7957 WT1 4634 TIP3 H1 HT 0.417000 1.0080 0
+ 7958 WT1 4634 TIP3 H2 HT 0.417000 1.0080 0
+ 7959 WT1 4635 TIP3 OH2 OT -0.834000 15.9994 0
+ 7960 WT1 4635 TIP3 H1 HT 0.417000 1.0080 0
+ 7961 WT1 4635 TIP3 H2 HT 0.417000 1.0080 0
+ 7962 WT1 4636 TIP3 OH2 OT -0.834000 15.9994 0
+ 7963 WT1 4636 TIP3 H1 HT 0.417000 1.0080 0
+ 7964 WT1 4636 TIP3 H2 HT 0.417000 1.0080 0
+ 7965 WT1 4641 TIP3 OH2 OT -0.834000 15.9994 0
+ 7966 WT1 4641 TIP3 H1 HT 0.417000 1.0080 0
+ 7967 WT1 4641 TIP3 H2 HT 0.417000 1.0080 0
+ 7968 WT1 4643 TIP3 OH2 OT -0.834000 15.9994 0
+ 7969 WT1 4643 TIP3 H1 HT 0.417000 1.0080 0
+ 7970 WT1 4643 TIP3 H2 HT 0.417000 1.0080 0
+ 7971 WT1 4644 TIP3 OH2 OT -0.834000 15.9994 0
+ 7972 WT1 4644 TIP3 H1 HT 0.417000 1.0080 0
+ 7973 WT1 4644 TIP3 H2 HT 0.417000 1.0080 0
+ 7974 WT1 4645 TIP3 OH2 OT -0.834000 15.9994 0
+ 7975 WT1 4645 TIP3 H1 HT 0.417000 1.0080 0
+ 7976 WT1 4645 TIP3 H2 HT 0.417000 1.0080 0
+ 7977 WT1 4647 TIP3 OH2 OT -0.834000 15.9994 0
+ 7978 WT1 4647 TIP3 H1 HT 0.417000 1.0080 0
+ 7979 WT1 4647 TIP3 H2 HT 0.417000 1.0080 0
+ 7980 WT1 4648 TIP3 OH2 OT -0.834000 15.9994 0
+ 7981 WT1 4648 TIP3 H1 HT 0.417000 1.0080 0
+ 7982 WT1 4648 TIP3 H2 HT 0.417000 1.0080 0
+ 7983 WT1 4651 TIP3 OH2 OT -0.834000 15.9994 0
+ 7984 WT1 4651 TIP3 H1 HT 0.417000 1.0080 0
+ 7985 WT1 4651 TIP3 H2 HT 0.417000 1.0080 0
+ 7986 WT1 4652 TIP3 OH2 OT -0.834000 15.9994 0
+ 7987 WT1 4652 TIP3 H1 HT 0.417000 1.0080 0
+ 7988 WT1 4652 TIP3 H2 HT 0.417000 1.0080 0
+ 7989 WT1 4653 TIP3 OH2 OT -0.834000 15.9994 0
+ 7990 WT1 4653 TIP3 H1 HT 0.417000 1.0080 0
+ 7991 WT1 4653 TIP3 H2 HT 0.417000 1.0080 0
+ 7992 WT1 4654 TIP3 OH2 OT -0.834000 15.9994 0
+ 7993 WT1 4654 TIP3 H1 HT 0.417000 1.0080 0
+ 7994 WT1 4654 TIP3 H2 HT 0.417000 1.0080 0
+ 7995 WT1 4655 TIP3 OH2 OT -0.834000 15.9994 0
+ 7996 WT1 4655 TIP3 H1 HT 0.417000 1.0080 0
+ 7997 WT1 4655 TIP3 H2 HT 0.417000 1.0080 0
+ 7998 WT1 4663 TIP3 OH2 OT -0.834000 15.9994 0
+ 7999 WT1 4663 TIP3 H1 HT 0.417000 1.0080 0
+ 8000 WT1 4663 TIP3 H2 HT 0.417000 1.0080 0
+ 8001 WT1 4664 TIP3 OH2 OT -0.834000 15.9994 0
+ 8002 WT1 4664 TIP3 H1 HT 0.417000 1.0080 0
+ 8003 WT1 4664 TIP3 H2 HT 0.417000 1.0080 0
+ 8004 WT1 4665 TIP3 OH2 OT -0.834000 15.9994 0
+ 8005 WT1 4665 TIP3 H1 HT 0.417000 1.0080 0
+ 8006 WT1 4665 TIP3 H2 HT 0.417000 1.0080 0
+ 8007 WT1 4666 TIP3 OH2 OT -0.834000 15.9994 0
+ 8008 WT1 4666 TIP3 H1 HT 0.417000 1.0080 0
+ 8009 WT1 4666 TIP3 H2 HT 0.417000 1.0080 0
+ 8010 WT1 4667 TIP3 OH2 OT -0.834000 15.9994 0
+ 8011 WT1 4667 TIP3 H1 HT 0.417000 1.0080 0
+ 8012 WT1 4667 TIP3 H2 HT 0.417000 1.0080 0
+ 8013 WT1 4668 TIP3 OH2 OT -0.834000 15.9994 0
+ 8014 WT1 4668 TIP3 H1 HT 0.417000 1.0080 0
+ 8015 WT1 4668 TIP3 H2 HT 0.417000 1.0080 0
+ 8016 WT1 4669 TIP3 OH2 OT -0.834000 15.9994 0
+ 8017 WT1 4669 TIP3 H1 HT 0.417000 1.0080 0
+ 8018 WT1 4669 TIP3 H2 HT 0.417000 1.0080 0
+ 8019 WT1 4670 TIP3 OH2 OT -0.834000 15.9994 0
+ 8020 WT1 4670 TIP3 H1 HT 0.417000 1.0080 0
+ 8021 WT1 4670 TIP3 H2 HT 0.417000 1.0080 0
+ 8022 WT1 4671 TIP3 OH2 OT -0.834000 15.9994 0
+ 8023 WT1 4671 TIP3 H1 HT 0.417000 1.0080 0
+ 8024 WT1 4671 TIP3 H2 HT 0.417000 1.0080 0
+ 8025 WT1 4672 TIP3 OH2 OT -0.834000 15.9994 0
+ 8026 WT1 4672 TIP3 H1 HT 0.417000 1.0080 0
+ 8027 WT1 4672 TIP3 H2 HT 0.417000 1.0080 0
+ 8028 WT1 4673 TIP3 OH2 OT -0.834000 15.9994 0
+ 8029 WT1 4673 TIP3 H1 HT 0.417000 1.0080 0
+ 8030 WT1 4673 TIP3 H2 HT 0.417000 1.0080 0
+ 8031 WT1 4674 TIP3 OH2 OT -0.834000 15.9994 0
+ 8032 WT1 4674 TIP3 H1 HT 0.417000 1.0080 0
+ 8033 WT1 4674 TIP3 H2 HT 0.417000 1.0080 0
+ 8034 WT1 4675 TIP3 OH2 OT -0.834000 15.9994 0
+ 8035 WT1 4675 TIP3 H1 HT 0.417000 1.0080 0
+ 8036 WT1 4675 TIP3 H2 HT 0.417000 1.0080 0
+ 8037 WT1 4676 TIP3 OH2 OT -0.834000 15.9994 0
+ 8038 WT1 4676 TIP3 H1 HT 0.417000 1.0080 0
+ 8039 WT1 4676 TIP3 H2 HT 0.417000 1.0080 0
+ 8040 WT1 4677 TIP3 OH2 OT -0.834000 15.9994 0
+ 8041 WT1 4677 TIP3 H1 HT 0.417000 1.0080 0
+ 8042 WT1 4677 TIP3 H2 HT 0.417000 1.0080 0
+ 8043 WT1 4678 TIP3 OH2 OT -0.834000 15.9994 0
+ 8044 WT1 4678 TIP3 H1 HT 0.417000 1.0080 0
+ 8045 WT1 4678 TIP3 H2 HT 0.417000 1.0080 0
+ 8046 WT1 4685 TIP3 OH2 OT -0.834000 15.9994 0
+ 8047 WT1 4685 TIP3 H1 HT 0.417000 1.0080 0
+ 8048 WT1 4685 TIP3 H2 HT 0.417000 1.0080 0
+ 8049 WT1 4686 TIP3 OH2 OT -0.834000 15.9994 0
+ 8050 WT1 4686 TIP3 H1 HT 0.417000 1.0080 0
+ 8051 WT1 4686 TIP3 H2 HT 0.417000 1.0080 0
+ 8052 WT1 4687 TIP3 OH2 OT -0.834000 15.9994 0
+ 8053 WT1 4687 TIP3 H1 HT 0.417000 1.0080 0
+ 8054 WT1 4687 TIP3 H2 HT 0.417000 1.0080 0
+ 8055 WT1 4688 TIP3 OH2 OT -0.834000 15.9994 0
+ 8056 WT1 4688 TIP3 H1 HT 0.417000 1.0080 0
+ 8057 WT1 4688 TIP3 H2 HT 0.417000 1.0080 0
+ 8058 WT1 4689 TIP3 OH2 OT -0.834000 15.9994 0
+ 8059 WT1 4689 TIP3 H1 HT 0.417000 1.0080 0
+ 8060 WT1 4689 TIP3 H2 HT 0.417000 1.0080 0
+ 8061 WT1 4690 TIP3 OH2 OT -0.834000 15.9994 0
+ 8062 WT1 4690 TIP3 H1 HT 0.417000 1.0080 0
+ 8063 WT1 4690 TIP3 H2 HT 0.417000 1.0080 0
+ 8064 WT1 4691 TIP3 OH2 OT -0.834000 15.9994 0
+ 8065 WT1 4691 TIP3 H1 HT 0.417000 1.0080 0
+ 8066 WT1 4691 TIP3 H2 HT 0.417000 1.0080 0
+ 8067 WT1 4692 TIP3 OH2 OT -0.834000 15.9994 0
+ 8068 WT1 4692 TIP3 H1 HT 0.417000 1.0080 0
+ 8069 WT1 4692 TIP3 H2 HT 0.417000 1.0080 0
+ 8070 WT1 4693 TIP3 OH2 OT -0.834000 15.9994 0
+ 8071 WT1 4693 TIP3 H1 HT 0.417000 1.0080 0
+ 8072 WT1 4693 TIP3 H2 HT 0.417000 1.0080 0
+ 8073 WT1 4694 TIP3 OH2 OT -0.834000 15.9994 0
+ 8074 WT1 4694 TIP3 H1 HT 0.417000 1.0080 0
+ 8075 WT1 4694 TIP3 H2 HT 0.417000 1.0080 0
+ 8076 WT1 4695 TIP3 OH2 OT -0.834000 15.9994 0
+ 8077 WT1 4695 TIP3 H1 HT 0.417000 1.0080 0
+ 8078 WT1 4695 TIP3 H2 HT 0.417000 1.0080 0
+ 8079 WT1 4696 TIP3 OH2 OT -0.834000 15.9994 0
+ 8080 WT1 4696 TIP3 H1 HT 0.417000 1.0080 0
+ 8081 WT1 4696 TIP3 H2 HT 0.417000 1.0080 0
+ 8082 WT1 4697 TIP3 OH2 OT -0.834000 15.9994 0
+ 8083 WT1 4697 TIP3 H1 HT 0.417000 1.0080 0
+ 8084 WT1 4697 TIP3 H2 HT 0.417000 1.0080 0
+ 8085 WT1 4700 TIP3 OH2 OT -0.834000 15.9994 0
+ 8086 WT1 4700 TIP3 H1 HT 0.417000 1.0080 0
+ 8087 WT1 4700 TIP3 H2 HT 0.417000 1.0080 0
+ 8088 WT1 4704 TIP3 OH2 OT -0.834000 15.9994 0
+ 8089 WT1 4704 TIP3 H1 HT 0.417000 1.0080 0
+ 8090 WT1 4704 TIP3 H2 HT 0.417000 1.0080 0
+ 8091 WT1 4705 TIP3 OH2 OT -0.834000 15.9994 0
+ 8092 WT1 4705 TIP3 H1 HT 0.417000 1.0080 0
+ 8093 WT1 4705 TIP3 H2 HT 0.417000 1.0080 0
+ 8094 WT1 4707 TIP3 OH2 OT -0.834000 15.9994 0
+ 8095 WT1 4707 TIP3 H1 HT 0.417000 1.0080 0
+ 8096 WT1 4707 TIP3 H2 HT 0.417000 1.0080 0
+ 8097 WT1 4708 TIP3 OH2 OT -0.834000 15.9994 0
+ 8098 WT1 4708 TIP3 H1 HT 0.417000 1.0080 0
+ 8099 WT1 4708 TIP3 H2 HT 0.417000 1.0080 0
+ 8100 WT1 4710 TIP3 OH2 OT -0.834000 15.9994 0
+ 8101 WT1 4710 TIP3 H1 HT 0.417000 1.0080 0
+ 8102 WT1 4710 TIP3 H2 HT 0.417000 1.0080 0
+ 8103 WT1 4711 TIP3 OH2 OT -0.834000 15.9994 0
+ 8104 WT1 4711 TIP3 H1 HT 0.417000 1.0080 0
+ 8105 WT1 4711 TIP3 H2 HT 0.417000 1.0080 0
+ 8106 WT1 4712 TIP3 OH2 OT -0.834000 15.9994 0
+ 8107 WT1 4712 TIP3 H1 HT 0.417000 1.0080 0
+ 8108 WT1 4712 TIP3 H2 HT 0.417000 1.0080 0
+ 8109 WT1 4713 TIP3 OH2 OT -0.834000 15.9994 0
+ 8110 WT1 4713 TIP3 H1 HT 0.417000 1.0080 0
+ 8111 WT1 4713 TIP3 H2 HT 0.417000 1.0080 0
+ 8112 WT1 4715 TIP3 OH2 OT -0.834000 15.9994 0
+ 8113 WT1 4715 TIP3 H1 HT 0.417000 1.0080 0
+ 8114 WT1 4715 TIP3 H2 HT 0.417000 1.0080 0
+ 8115 WT1 4717 TIP3 OH2 OT -0.834000 15.9994 0
+ 8116 WT1 4717 TIP3 H1 HT 0.417000 1.0080 0
+ 8117 WT1 4717 TIP3 H2 HT 0.417000 1.0080 0
+ 8118 WT1 4725 TIP3 OH2 OT -0.834000 15.9994 0
+ 8119 WT1 4725 TIP3 H1 HT 0.417000 1.0080 0
+ 8120 WT1 4725 TIP3 H2 HT 0.417000 1.0080 0
+ 8121 WT1 4727 TIP3 OH2 OT -0.834000 15.9994 0
+ 8122 WT1 4727 TIP3 H1 HT 0.417000 1.0080 0
+ 8123 WT1 4727 TIP3 H2 HT 0.417000 1.0080 0
+ 8124 WT1 4729 TIP3 OH2 OT -0.834000 15.9994 0
+ 8125 WT1 4729 TIP3 H1 HT 0.417000 1.0080 0
+ 8126 WT1 4729 TIP3 H2 HT 0.417000 1.0080 0
+ 8127 WT1 4730 TIP3 OH2 OT -0.834000 15.9994 0
+ 8128 WT1 4730 TIP3 H1 HT 0.417000 1.0080 0
+ 8129 WT1 4730 TIP3 H2 HT 0.417000 1.0080 0
+ 8130 WT1 4731 TIP3 OH2 OT -0.834000 15.9994 0
+ 8131 WT1 4731 TIP3 H1 HT 0.417000 1.0080 0
+ 8132 WT1 4731 TIP3 H2 HT 0.417000 1.0080 0
+ 8133 WT1 4732 TIP3 OH2 OT -0.834000 15.9994 0
+ 8134 WT1 4732 TIP3 H1 HT 0.417000 1.0080 0
+ 8135 WT1 4732 TIP3 H2 HT 0.417000 1.0080 0
+ 8136 WT1 4734 TIP3 OH2 OT -0.834000 15.9994 0
+ 8137 WT1 4734 TIP3 H1 HT 0.417000 1.0080 0
+ 8138 WT1 4734 TIP3 H2 HT 0.417000 1.0080 0
+ 8139 WT1 4735 TIP3 OH2 OT -0.834000 15.9994 0
+ 8140 WT1 4735 TIP3 H1 HT 0.417000 1.0080 0
+ 8141 WT1 4735 TIP3 H2 HT 0.417000 1.0080 0
+ 8142 WT1 4736 TIP3 OH2 OT -0.834000 15.9994 0
+ 8143 WT1 4736 TIP3 H1 HT 0.417000 1.0080 0
+ 8144 WT1 4736 TIP3 H2 HT 0.417000 1.0080 0
+ 8145 WT1 4737 TIP3 OH2 OT -0.834000 15.9994 0
+ 8146 WT1 4737 TIP3 H1 HT 0.417000 1.0080 0
+ 8147 WT1 4737 TIP3 H2 HT 0.417000 1.0080 0
+ 8148 WT1 4738 TIP3 OH2 OT -0.834000 15.9994 0
+ 8149 WT1 4738 TIP3 H1 HT 0.417000 1.0080 0
+ 8150 WT1 4738 TIP3 H2 HT 0.417000 1.0080 0
+ 8151 WT1 4740 TIP3 OH2 OT -0.834000 15.9994 0
+ 8152 WT1 4740 TIP3 H1 HT 0.417000 1.0080 0
+ 8153 WT1 4740 TIP3 H2 HT 0.417000 1.0080 0
+ 8154 WT1 4745 TIP3 OH2 OT -0.834000 15.9994 0
+ 8155 WT1 4745 TIP3 H1 HT 0.417000 1.0080 0
+ 8156 WT1 4745 TIP3 H2 HT 0.417000 1.0080 0
+ 8157 WT1 4750 TIP3 OH2 OT -0.834000 15.9994 0
+ 8158 WT1 4750 TIP3 H1 HT 0.417000 1.0080 0
+ 8159 WT1 4750 TIP3 H2 HT 0.417000 1.0080 0
+ 8160 WT1 4751 TIP3 OH2 OT -0.834000 15.9994 0
+ 8161 WT1 4751 TIP3 H1 HT 0.417000 1.0080 0
+ 8162 WT1 4751 TIP3 H2 HT 0.417000 1.0080 0
+ 8163 WT1 4753 TIP3 OH2 OT -0.834000 15.9994 0
+ 8164 WT1 4753 TIP3 H1 HT 0.417000 1.0080 0
+ 8165 WT1 4753 TIP3 H2 HT 0.417000 1.0080 0
+ 8166 WT1 4754 TIP3 OH2 OT -0.834000 15.9994 0
+ 8167 WT1 4754 TIP3 H1 HT 0.417000 1.0080 0
+ 8168 WT1 4754 TIP3 H2 HT 0.417000 1.0080 0
+ 8169 WT1 4755 TIP3 OH2 OT -0.834000 15.9994 0
+ 8170 WT1 4755 TIP3 H1 HT 0.417000 1.0080 0
+ 8171 WT1 4755 TIP3 H2 HT 0.417000 1.0080 0
+ 8172 WT1 4756 TIP3 OH2 OT -0.834000 15.9994 0
+ 8173 WT1 4756 TIP3 H1 HT 0.417000 1.0080 0
+ 8174 WT1 4756 TIP3 H2 HT 0.417000 1.0080 0
+ 8175 WT1 4758 TIP3 OH2 OT -0.834000 15.9994 0
+ 8176 WT1 4758 TIP3 H1 HT 0.417000 1.0080 0
+ 8177 WT1 4758 TIP3 H2 HT 0.417000 1.0080 0
+ 8178 WT1 4759 TIP3 OH2 OT -0.834000 15.9994 0
+ 8179 WT1 4759 TIP3 H1 HT 0.417000 1.0080 0
+ 8180 WT1 4759 TIP3 H2 HT 0.417000 1.0080 0
+ 8181 WT1 4760 TIP3 OH2 OT -0.834000 15.9994 0
+ 8182 WT1 4760 TIP3 H1 HT 0.417000 1.0080 0
+ 8183 WT1 4760 TIP3 H2 HT 0.417000 1.0080 0
+ 8184 WT1 4761 TIP3 OH2 OT -0.834000 15.9994 0
+ 8185 WT1 4761 TIP3 H1 HT 0.417000 1.0080 0
+ 8186 WT1 4761 TIP3 H2 HT 0.417000 1.0080 0
+ 8187 WT1 4763 TIP3 OH2 OT -0.834000 15.9994 0
+ 8188 WT1 4763 TIP3 H1 HT 0.417000 1.0080 0
+ 8189 WT1 4763 TIP3 H2 HT 0.417000 1.0080 0
+ 8190 WT1 4767 TIP3 OH2 OT -0.834000 15.9994 0
+ 8191 WT1 4767 TIP3 H1 HT 0.417000 1.0080 0
+ 8192 WT1 4767 TIP3 H2 HT 0.417000 1.0080 0
+ 8193 WT1 4768 TIP3 OH2 OT -0.834000 15.9994 0
+ 8194 WT1 4768 TIP3 H1 HT 0.417000 1.0080 0
+ 8195 WT1 4768 TIP3 H2 HT 0.417000 1.0080 0
+ 8196 WT1 4770 TIP3 OH2 OT -0.834000 15.9994 0
+ 8197 WT1 4770 TIP3 H1 HT 0.417000 1.0080 0
+ 8198 WT1 4770 TIP3 H2 HT 0.417000 1.0080 0
+ 8199 WT1 4774 TIP3 OH2 OT -0.834000 15.9994 0
+ 8200 WT1 4774 TIP3 H1 HT 0.417000 1.0080 0
+ 8201 WT1 4774 TIP3 H2 HT 0.417000 1.0080 0
+ 8202 WT1 4775 TIP3 OH2 OT -0.834000 15.9994 0
+ 8203 WT1 4775 TIP3 H1 HT 0.417000 1.0080 0
+ 8204 WT1 4775 TIP3 H2 HT 0.417000 1.0080 0
+ 8205 WT1 4776 TIP3 OH2 OT -0.834000 15.9994 0
+ 8206 WT1 4776 TIP3 H1 HT 0.417000 1.0080 0
+ 8207 WT1 4776 TIP3 H2 HT 0.417000 1.0080 0
+ 8208 WT1 4777 TIP3 OH2 OT -0.834000 15.9994 0
+ 8209 WT1 4777 TIP3 H1 HT 0.417000 1.0080 0
+ 8210 WT1 4777 TIP3 H2 HT 0.417000 1.0080 0
+ 8211 WT1 4778 TIP3 OH2 OT -0.834000 15.9994 0
+ 8212 WT1 4778 TIP3 H1 HT 0.417000 1.0080 0
+ 8213 WT1 4778 TIP3 H2 HT 0.417000 1.0080 0
+ 8214 WT1 4779 TIP3 OH2 OT -0.834000 15.9994 0
+ 8215 WT1 4779 TIP3 H1 HT 0.417000 1.0080 0
+ 8216 WT1 4779 TIP3 H2 HT 0.417000 1.0080 0
+ 8217 WT1 4780 TIP3 OH2 OT -0.834000 15.9994 0
+ 8218 WT1 4780 TIP3 H1 HT 0.417000 1.0080 0
+ 8219 WT1 4780 TIP3 H2 HT 0.417000 1.0080 0
+ 8220 WT1 4782 TIP3 OH2 OT -0.834000 15.9994 0
+ 8221 WT1 4782 TIP3 H1 HT 0.417000 1.0080 0
+ 8222 WT1 4782 TIP3 H2 HT 0.417000 1.0080 0
+ 8223 WT1 4785 TIP3 OH2 OT -0.834000 15.9994 0
+ 8224 WT1 4785 TIP3 H1 HT 0.417000 1.0080 0
+ 8225 WT1 4785 TIP3 H2 HT 0.417000 1.0080 0
+ 8226 WT1 4787 TIP3 OH2 OT -0.834000 15.9994 0
+ 8227 WT1 4787 TIP3 H1 HT 0.417000 1.0080 0
+ 8228 WT1 4787 TIP3 H2 HT 0.417000 1.0080 0
+ 8229 WT1 4788 TIP3 OH2 OT -0.834000 15.9994 0
+ 8230 WT1 4788 TIP3 H1 HT 0.417000 1.0080 0
+ 8231 WT1 4788 TIP3 H2 HT 0.417000 1.0080 0
+ 8232 WT1 4790 TIP3 OH2 OT -0.834000 15.9994 0
+ 8233 WT1 4790 TIP3 H1 HT 0.417000 1.0080 0
+ 8234 WT1 4790 TIP3 H2 HT 0.417000 1.0080 0
+ 8235 WT1 4791 TIP3 OH2 OT -0.834000 15.9994 0
+ 8236 WT1 4791 TIP3 H1 HT 0.417000 1.0080 0
+ 8237 WT1 4791 TIP3 H2 HT 0.417000 1.0080 0
+ 8238 WT1 4792 TIP3 OH2 OT -0.834000 15.9994 0
+ 8239 WT1 4792 TIP3 H1 HT 0.417000 1.0080 0
+ 8240 WT1 4792 TIP3 H2 HT 0.417000 1.0080 0
+ 8241 WT1 4793 TIP3 OH2 OT -0.834000 15.9994 0
+ 8242 WT1 4793 TIP3 H1 HT 0.417000 1.0080 0
+ 8243 WT1 4793 TIP3 H2 HT 0.417000 1.0080 0
+ 8244 WT1 4794 TIP3 OH2 OT -0.834000 15.9994 0
+ 8245 WT1 4794 TIP3 H1 HT 0.417000 1.0080 0
+ 8246 WT1 4794 TIP3 H2 HT 0.417000 1.0080 0
+ 8247 WT1 4796 TIP3 OH2 OT -0.834000 15.9994 0
+ 8248 WT1 4796 TIP3 H1 HT 0.417000 1.0080 0
+ 8249 WT1 4796 TIP3 H2 HT 0.417000 1.0080 0
+ 8250 WT1 4797 TIP3 OH2 OT -0.834000 15.9994 0
+ 8251 WT1 4797 TIP3 H1 HT 0.417000 1.0080 0
+ 8252 WT1 4797 TIP3 H2 HT 0.417000 1.0080 0
+ 8253 WT1 4798 TIP3 OH2 OT -0.834000 15.9994 0
+ 8254 WT1 4798 TIP3 H1 HT 0.417000 1.0080 0
+ 8255 WT1 4798 TIP3 H2 HT 0.417000 1.0080 0
+ 8256 WT1 4800 TIP3 OH2 OT -0.834000 15.9994 0
+ 8257 WT1 4800 TIP3 H1 HT 0.417000 1.0080 0
+ 8258 WT1 4800 TIP3 H2 HT 0.417000 1.0080 0
+ 8259 WT1 4801 TIP3 OH2 OT -0.834000 15.9994 0
+ 8260 WT1 4801 TIP3 H1 HT 0.417000 1.0080 0
+ 8261 WT1 4801 TIP3 H2 HT 0.417000 1.0080 0
+ 8262 WT1 4803 TIP3 OH2 OT -0.834000 15.9994 0
+ 8263 WT1 4803 TIP3 H1 HT 0.417000 1.0080 0
+ 8264 WT1 4803 TIP3 H2 HT 0.417000 1.0080 0
+ 8265 WT1 4806 TIP3 OH2 OT -0.834000 15.9994 0
+ 8266 WT1 4806 TIP3 H1 HT 0.417000 1.0080 0
+ 8267 WT1 4806 TIP3 H2 HT 0.417000 1.0080 0
+ 8268 WT1 4808 TIP3 OH2 OT -0.834000 15.9994 0
+ 8269 WT1 4808 TIP3 H1 HT 0.417000 1.0080 0
+ 8270 WT1 4808 TIP3 H2 HT 0.417000 1.0080 0
+ 8271 WT1 4809 TIP3 OH2 OT -0.834000 15.9994 0
+ 8272 WT1 4809 TIP3 H1 HT 0.417000 1.0080 0
+ 8273 WT1 4809 TIP3 H2 HT 0.417000 1.0080 0
+ 8274 WT1 4811 TIP3 OH2 OT -0.834000 15.9994 0
+ 8275 WT1 4811 TIP3 H1 HT 0.417000 1.0080 0
+ 8276 WT1 4811 TIP3 H2 HT 0.417000 1.0080 0
+ 8277 WT1 4813 TIP3 OH2 OT -0.834000 15.9994 0
+ 8278 WT1 4813 TIP3 H1 HT 0.417000 1.0080 0
+ 8279 WT1 4813 TIP3 H2 HT 0.417000 1.0080 0
+ 8280 WT1 4814 TIP3 OH2 OT -0.834000 15.9994 0
+ 8281 WT1 4814 TIP3 H1 HT 0.417000 1.0080 0
+ 8282 WT1 4814 TIP3 H2 HT 0.417000 1.0080 0
+ 8283 WT1 4815 TIP3 OH2 OT -0.834000 15.9994 0
+ 8284 WT1 4815 TIP3 H1 HT 0.417000 1.0080 0
+ 8285 WT1 4815 TIP3 H2 HT 0.417000 1.0080 0
+ 8286 WT1 4816 TIP3 OH2 OT -0.834000 15.9994 0
+ 8287 WT1 4816 TIP3 H1 HT 0.417000 1.0080 0
+ 8288 WT1 4816 TIP3 H2 HT 0.417000 1.0080 0
+ 8289 WT1 4817 TIP3 OH2 OT -0.834000 15.9994 0
+ 8290 WT1 4817 TIP3 H1 HT 0.417000 1.0080 0
+ 8291 WT1 4817 TIP3 H2 HT 0.417000 1.0080 0
+ 8292 WT1 4818 TIP3 OH2 OT -0.834000 15.9994 0
+ 8293 WT1 4818 TIP3 H1 HT 0.417000 1.0080 0
+ 8294 WT1 4818 TIP3 H2 HT 0.417000 1.0080 0
+ 8295 WT1 4819 TIP3 OH2 OT -0.834000 15.9994 0
+ 8296 WT1 4819 TIP3 H1 HT 0.417000 1.0080 0
+ 8297 WT1 4819 TIP3 H2 HT 0.417000 1.0080 0
+ 8298 WT1 4820 TIP3 OH2 OT -0.834000 15.9994 0
+ 8299 WT1 4820 TIP3 H1 HT 0.417000 1.0080 0
+ 8300 WT1 4820 TIP3 H2 HT 0.417000 1.0080 0
+ 8301 WT1 4821 TIP3 OH2 OT -0.834000 15.9994 0
+ 8302 WT1 4821 TIP3 H1 HT 0.417000 1.0080 0
+ 8303 WT1 4821 TIP3 H2 HT 0.417000 1.0080 0
+ 8304 WT1 4822 TIP3 OH2 OT -0.834000 15.9994 0
+ 8305 WT1 4822 TIP3 H1 HT 0.417000 1.0080 0
+ 8306 WT1 4822 TIP3 H2 HT 0.417000 1.0080 0
+ 8307 WT1 4824 TIP3 OH2 OT -0.834000 15.9994 0
+ 8308 WT1 4824 TIP3 H1 HT 0.417000 1.0080 0
+ 8309 WT1 4824 TIP3 H2 HT 0.417000 1.0080 0
+ 8310 WT1 4825 TIP3 OH2 OT -0.834000 15.9994 0
+ 8311 WT1 4825 TIP3 H1 HT 0.417000 1.0080 0
+ 8312 WT1 4825 TIP3 H2 HT 0.417000 1.0080 0
+ 8313 WT1 4832 TIP3 OH2 OT -0.834000 15.9994 0
+ 8314 WT1 4832 TIP3 H1 HT 0.417000 1.0080 0
+ 8315 WT1 4832 TIP3 H2 HT 0.417000 1.0080 0
+ 8316 WT1 4833 TIP3 OH2 OT -0.834000 15.9994 0
+ 8317 WT1 4833 TIP3 H1 HT 0.417000 1.0080 0
+ 8318 WT1 4833 TIP3 H2 HT 0.417000 1.0080 0
+ 8319 WT1 4834 TIP3 OH2 OT -0.834000 15.9994 0
+ 8320 WT1 4834 TIP3 H1 HT 0.417000 1.0080 0
+ 8321 WT1 4834 TIP3 H2 HT 0.417000 1.0080 0
+ 8322 WT1 4835 TIP3 OH2 OT -0.834000 15.9994 0
+ 8323 WT1 4835 TIP3 H1 HT 0.417000 1.0080 0
+ 8324 WT1 4835 TIP3 H2 HT 0.417000 1.0080 0
+ 8325 WT1 4836 TIP3 OH2 OT -0.834000 15.9994 0
+ 8326 WT1 4836 TIP3 H1 HT 0.417000 1.0080 0
+ 8327 WT1 4836 TIP3 H2 HT 0.417000 1.0080 0
+ 8328 WT1 4837 TIP3 OH2 OT -0.834000 15.9994 0
+ 8329 WT1 4837 TIP3 H1 HT 0.417000 1.0080 0
+ 8330 WT1 4837 TIP3 H2 HT 0.417000 1.0080 0
+ 8331 WT1 4838 TIP3 OH2 OT -0.834000 15.9994 0
+ 8332 WT1 4838 TIP3 H1 HT 0.417000 1.0080 0
+ 8333 WT1 4838 TIP3 H2 HT 0.417000 1.0080 0
+ 8334 WT1 4839 TIP3 OH2 OT -0.834000 15.9994 0
+ 8335 WT1 4839 TIP3 H1 HT 0.417000 1.0080 0
+ 8336 WT1 4839 TIP3 H2 HT 0.417000 1.0080 0
+ 8337 WT1 4840 TIP3 OH2 OT -0.834000 15.9994 0
+ 8338 WT1 4840 TIP3 H1 HT 0.417000 1.0080 0
+ 8339 WT1 4840 TIP3 H2 HT 0.417000 1.0080 0
+ 8340 WT1 4842 TIP3 OH2 OT -0.834000 15.9994 0
+ 8341 WT1 4842 TIP3 H1 HT 0.417000 1.0080 0
+ 8342 WT1 4842 TIP3 H2 HT 0.417000 1.0080 0
+ 8343 WT1 4844 TIP3 OH2 OT -0.834000 15.9994 0
+ 8344 WT1 4844 TIP3 H1 HT 0.417000 1.0080 0
+ 8345 WT1 4844 TIP3 H2 HT 0.417000 1.0080 0
+ 8346 WT1 4849 TIP3 OH2 OT -0.834000 15.9994 0
+ 8347 WT1 4849 TIP3 H1 HT 0.417000 1.0080 0
+ 8348 WT1 4849 TIP3 H2 HT 0.417000 1.0080 0
+ 8349 WT1 4851 TIP3 OH2 OT -0.834000 15.9994 0
+ 8350 WT1 4851 TIP3 H1 HT 0.417000 1.0080 0
+ 8351 WT1 4851 TIP3 H2 HT 0.417000 1.0080 0
+ 8352 WT1 4852 TIP3 OH2 OT -0.834000 15.9994 0
+ 8353 WT1 4852 TIP3 H1 HT 0.417000 1.0080 0
+ 8354 WT1 4852 TIP3 H2 HT 0.417000 1.0080 0
+ 8355 WT1 4853 TIP3 OH2 OT -0.834000 15.9994 0
+ 8356 WT1 4853 TIP3 H1 HT 0.417000 1.0080 0
+ 8357 WT1 4853 TIP3 H2 HT 0.417000 1.0080 0
+ 8358 WT1 4854 TIP3 OH2 OT -0.834000 15.9994 0
+ 8359 WT1 4854 TIP3 H1 HT 0.417000 1.0080 0
+ 8360 WT1 4854 TIP3 H2 HT 0.417000 1.0080 0
+ 8361 WT1 4855 TIP3 OH2 OT -0.834000 15.9994 0
+ 8362 WT1 4855 TIP3 H1 HT 0.417000 1.0080 0
+ 8363 WT1 4855 TIP3 H2 HT 0.417000 1.0080 0
+ 8364 WT1 4857 TIP3 OH2 OT -0.834000 15.9994 0
+ 8365 WT1 4857 TIP3 H1 HT 0.417000 1.0080 0
+ 8366 WT1 4857 TIP3 H2 HT 0.417000 1.0080 0
+ 8367 WT1 4859 TIP3 OH2 OT -0.834000 15.9994 0
+ 8368 WT1 4859 TIP3 H1 HT 0.417000 1.0080 0
+ 8369 WT1 4859 TIP3 H2 HT 0.417000 1.0080 0
+ 8370 WT1 4860 TIP3 OH2 OT -0.834000 15.9994 0
+ 8371 WT1 4860 TIP3 H1 HT 0.417000 1.0080 0
+ 8372 WT1 4860 TIP3 H2 HT 0.417000 1.0080 0
+ 8373 WT1 4861 TIP3 OH2 OT -0.834000 15.9994 0
+ 8374 WT1 4861 TIP3 H1 HT 0.417000 1.0080 0
+ 8375 WT1 4861 TIP3 H2 HT 0.417000 1.0080 0
+ 8376 WT1 4862 TIP3 OH2 OT -0.834000 15.9994 0
+ 8377 WT1 4862 TIP3 H1 HT 0.417000 1.0080 0
+ 8378 WT1 4862 TIP3 H2 HT 0.417000 1.0080 0
+ 8379 WT1 4864 TIP3 OH2 OT -0.834000 15.9994 0
+ 8380 WT1 4864 TIP3 H1 HT 0.417000 1.0080 0
+ 8381 WT1 4864 TIP3 H2 HT 0.417000 1.0080 0
+ 8382 WT1 4865 TIP3 OH2 OT -0.834000 15.9994 0
+ 8383 WT1 4865 TIP3 H1 HT 0.417000 1.0080 0
+ 8384 WT1 4865 TIP3 H2 HT 0.417000 1.0080 0
+ 8385 WT1 4866 TIP3 OH2 OT -0.834000 15.9994 0
+ 8386 WT1 4866 TIP3 H1 HT 0.417000 1.0080 0
+ 8387 WT1 4866 TIP3 H2 HT 0.417000 1.0080 0
+ 8388 WT1 4867 TIP3 OH2 OT -0.834000 15.9994 0
+ 8389 WT1 4867 TIP3 H1 HT 0.417000 1.0080 0
+ 8390 WT1 4867 TIP3 H2 HT 0.417000 1.0080 0
+ 8391 WT1 4872 TIP3 OH2 OT -0.834000 15.9994 0
+ 8392 WT1 4872 TIP3 H1 HT 0.417000 1.0080 0
+ 8393 WT1 4872 TIP3 H2 HT 0.417000 1.0080 0
+ 8394 WT1 4875 TIP3 OH2 OT -0.834000 15.9994 0
+ 8395 WT1 4875 TIP3 H1 HT 0.417000 1.0080 0
+ 8396 WT1 4875 TIP3 H2 HT 0.417000 1.0080 0
+ 8397 WT1 4878 TIP3 OH2 OT -0.834000 15.9994 0
+ 8398 WT1 4878 TIP3 H1 HT 0.417000 1.0080 0
+ 8399 WT1 4878 TIP3 H2 HT 0.417000 1.0080 0
+ 8400 WT1 4879 TIP3 OH2 OT -0.834000 15.9994 0
+ 8401 WT1 4879 TIP3 H1 HT 0.417000 1.0080 0
+ 8402 WT1 4879 TIP3 H2 HT 0.417000 1.0080 0
+ 8403 WT1 4880 TIP3 OH2 OT -0.834000 15.9994 0
+ 8404 WT1 4880 TIP3 H1 HT 0.417000 1.0080 0
+ 8405 WT1 4880 TIP3 H2 HT 0.417000 1.0080 0
+ 8406 WT1 4881 TIP3 OH2 OT -0.834000 15.9994 0
+ 8407 WT1 4881 TIP3 H1 HT 0.417000 1.0080 0
+ 8408 WT1 4881 TIP3 H2 HT 0.417000 1.0080 0
+ 8409 WT1 4882 TIP3 OH2 OT -0.834000 15.9994 0
+ 8410 WT1 4882 TIP3 H1 HT 0.417000 1.0080 0
+ 8411 WT1 4882 TIP3 H2 HT 0.417000 1.0080 0
+ 8412 WT1 4883 TIP3 OH2 OT -0.834000 15.9994 0
+ 8413 WT1 4883 TIP3 H1 HT 0.417000 1.0080 0
+ 8414 WT1 4883 TIP3 H2 HT 0.417000 1.0080 0
+ 8415 WT1 4884 TIP3 OH2 OT -0.834000 15.9994 0
+ 8416 WT1 4884 TIP3 H1 HT 0.417000 1.0080 0
+ 8417 WT1 4884 TIP3 H2 HT 0.417000 1.0080 0
+ 8418 WT1 4885 TIP3 OH2 OT -0.834000 15.9994 0
+ 8419 WT1 4885 TIP3 H1 HT 0.417000 1.0080 0
+ 8420 WT1 4885 TIP3 H2 HT 0.417000 1.0080 0
+ 8421 WT1 4887 TIP3 OH2 OT -0.834000 15.9994 0
+ 8422 WT1 4887 TIP3 H1 HT 0.417000 1.0080 0
+ 8423 WT1 4887 TIP3 H2 HT 0.417000 1.0080 0
+ 8424 WT1 4890 TIP3 OH2 OT -0.834000 15.9994 0
+ 8425 WT1 4890 TIP3 H1 HT 0.417000 1.0080 0
+ 8426 WT1 4890 TIP3 H2 HT 0.417000 1.0080 0
+ 8427 WT1 4893 TIP3 OH2 OT -0.834000 15.9994 0
+ 8428 WT1 4893 TIP3 H1 HT 0.417000 1.0080 0
+ 8429 WT1 4893 TIP3 H2 HT 0.417000 1.0080 0
+ 8430 WT1 4896 TIP3 OH2 OT -0.834000 15.9994 0
+ 8431 WT1 4896 TIP3 H1 HT 0.417000 1.0080 0
+ 8432 WT1 4896 TIP3 H2 HT 0.417000 1.0080 0
+ 8433 WT1 4897 TIP3 OH2 OT -0.834000 15.9994 0
+ 8434 WT1 4897 TIP3 H1 HT 0.417000 1.0080 0
+ 8435 WT1 4897 TIP3 H2 HT 0.417000 1.0080 0
+ 8436 WT1 4899 TIP3 OH2 OT -0.834000 15.9994 0
+ 8437 WT1 4899 TIP3 H1 HT 0.417000 1.0080 0
+ 8438 WT1 4899 TIP3 H2 HT 0.417000 1.0080 0
+ 8439 WT1 4900 TIP3 OH2 OT -0.834000 15.9994 0
+ 8440 WT1 4900 TIP3 H1 HT 0.417000 1.0080 0
+ 8441 WT1 4900 TIP3 H2 HT 0.417000 1.0080 0
+ 8442 WT1 4901 TIP3 OH2 OT -0.834000 15.9994 0
+ 8443 WT1 4901 TIP3 H1 HT 0.417000 1.0080 0
+ 8444 WT1 4901 TIP3 H2 HT 0.417000 1.0080 0
+ 8445 WT1 4902 TIP3 OH2 OT -0.834000 15.9994 0
+ 8446 WT1 4902 TIP3 H1 HT 0.417000 1.0080 0
+ 8447 WT1 4902 TIP3 H2 HT 0.417000 1.0080 0
+ 8448 WT1 4903 TIP3 OH2 OT -0.834000 15.9994 0
+ 8449 WT1 4903 TIP3 H1 HT 0.417000 1.0080 0
+ 8450 WT1 4903 TIP3 H2 HT 0.417000 1.0080 0
+ 8451 WT1 4904 TIP3 OH2 OT -0.834000 15.9994 0
+ 8452 WT1 4904 TIP3 H1 HT 0.417000 1.0080 0
+ 8453 WT1 4904 TIP3 H2 HT 0.417000 1.0080 0
+ 8454 WT1 4905 TIP3 OH2 OT -0.834000 15.9994 0
+ 8455 WT1 4905 TIP3 H1 HT 0.417000 1.0080 0
+ 8456 WT1 4905 TIP3 H2 HT 0.417000 1.0080 0
+ 8457 WT1 4908 TIP3 OH2 OT -0.834000 15.9994 0
+ 8458 WT1 4908 TIP3 H1 HT 0.417000 1.0080 0
+ 8459 WT1 4908 TIP3 H2 HT 0.417000 1.0080 0
+ 8460 WT1 4911 TIP3 OH2 OT -0.834000 15.9994 0
+ 8461 WT1 4911 TIP3 H1 HT 0.417000 1.0080 0
+ 8462 WT1 4911 TIP3 H2 HT 0.417000 1.0080 0
+ 8463 WT1 4914 TIP3 OH2 OT -0.834000 15.9994 0
+ 8464 WT1 4914 TIP3 H1 HT 0.417000 1.0080 0
+ 8465 WT1 4914 TIP3 H2 HT 0.417000 1.0080 0
+ 8466 WT1 4915 TIP3 OH2 OT -0.834000 15.9994 0
+ 8467 WT1 4915 TIP3 H1 HT 0.417000 1.0080 0
+ 8468 WT1 4915 TIP3 H2 HT 0.417000 1.0080 0
+ 8469 WT1 4916 TIP3 OH2 OT -0.834000 15.9994 0
+ 8470 WT1 4916 TIP3 H1 HT 0.417000 1.0080 0
+ 8471 WT1 4916 TIP3 H2 HT 0.417000 1.0080 0
+ 8472 WT1 4918 TIP3 OH2 OT -0.834000 15.9994 0
+ 8473 WT1 4918 TIP3 H1 HT 0.417000 1.0080 0
+ 8474 WT1 4918 TIP3 H2 HT 0.417000 1.0080 0
+ 8475 WT1 4919 TIP3 OH2 OT -0.834000 15.9994 0
+ 8476 WT1 4919 TIP3 H1 HT 0.417000 1.0080 0
+ 8477 WT1 4919 TIP3 H2 HT 0.417000 1.0080 0
+ 8478 WT1 4920 TIP3 OH2 OT -0.834000 15.9994 0
+ 8479 WT1 4920 TIP3 H1 HT 0.417000 1.0080 0
+ 8480 WT1 4920 TIP3 H2 HT 0.417000 1.0080 0
+ 8481 WT1 4922 TIP3 OH2 OT -0.834000 15.9994 0
+ 8482 WT1 4922 TIP3 H1 HT 0.417000 1.0080 0
+ 8483 WT1 4922 TIP3 H2 HT 0.417000 1.0080 0
+ 8484 WT1 4923 TIP3 OH2 OT -0.834000 15.9994 0
+ 8485 WT1 4923 TIP3 H1 HT 0.417000 1.0080 0
+ 8486 WT1 4923 TIP3 H2 HT 0.417000 1.0080 0
+ 8487 WT1 4924 TIP3 OH2 OT -0.834000 15.9994 0
+ 8488 WT1 4924 TIP3 H1 HT 0.417000 1.0080 0
+ 8489 WT1 4924 TIP3 H2 HT 0.417000 1.0080 0
+ 8490 WT1 4925 TIP3 OH2 OT -0.834000 15.9994 0
+ 8491 WT1 4925 TIP3 H1 HT 0.417000 1.0080 0
+ 8492 WT1 4925 TIP3 H2 HT 0.417000 1.0080 0
+ 8493 WT1 4926 TIP3 OH2 OT -0.834000 15.9994 0
+ 8494 WT1 4926 TIP3 H1 HT 0.417000 1.0080 0
+ 8495 WT1 4926 TIP3 H2 HT 0.417000 1.0080 0
+ 8496 WT1 4927 TIP3 OH2 OT -0.834000 15.9994 0
+ 8497 WT1 4927 TIP3 H1 HT 0.417000 1.0080 0
+ 8498 WT1 4927 TIP3 H2 HT 0.417000 1.0080 0
+ 8499 WT1 4930 TIP3 OH2 OT -0.834000 15.9994 0
+ 8500 WT1 4930 TIP3 H1 HT 0.417000 1.0080 0
+ 8501 WT1 4930 TIP3 H2 HT 0.417000 1.0080 0
+ 8502 WT1 4933 TIP3 OH2 OT -0.834000 15.9994 0
+ 8503 WT1 4933 TIP3 H1 HT 0.417000 1.0080 0
+ 8504 WT1 4933 TIP3 H2 HT 0.417000 1.0080 0
+ 8505 WT1 4936 TIP3 OH2 OT -0.834000 15.9994 0
+ 8506 WT1 4936 TIP3 H1 HT 0.417000 1.0080 0
+ 8507 WT1 4936 TIP3 H2 HT 0.417000 1.0080 0
+ 8508 WT1 4937 TIP3 OH2 OT -0.834000 15.9994 0
+ 8509 WT1 4937 TIP3 H1 HT 0.417000 1.0080 0
+ 8510 WT1 4937 TIP3 H2 HT 0.417000 1.0080 0
+ 8511 WT1 4941 TIP3 OH2 OT -0.834000 15.9994 0
+ 8512 WT1 4941 TIP3 H1 HT 0.417000 1.0080 0
+ 8513 WT1 4941 TIP3 H2 HT 0.417000 1.0080 0
+ 8514 WT1 4942 TIP3 OH2 OT -0.834000 15.9994 0
+ 8515 WT1 4942 TIP3 H1 HT 0.417000 1.0080 0
+ 8516 WT1 4942 TIP3 H2 HT 0.417000 1.0080 0
+ 8517 WT1 4945 TIP3 OH2 OT -0.834000 15.9994 0
+ 8518 WT1 4945 TIP3 H1 HT 0.417000 1.0080 0
+ 8519 WT1 4945 TIP3 H2 HT 0.417000 1.0080 0
+ 8520 WT1 4946 TIP3 OH2 OT -0.834000 15.9994 0
+ 8521 WT1 4946 TIP3 H1 HT 0.417000 1.0080 0
+ 8522 WT1 4946 TIP3 H2 HT 0.417000 1.0080 0
+ 8523 WT1 4947 TIP3 OH2 OT -0.834000 15.9994 0
+ 8524 WT1 4947 TIP3 H1 HT 0.417000 1.0080 0
+ 8525 WT1 4947 TIP3 H2 HT 0.417000 1.0080 0
+ 8526 WT1 4951 TIP3 OH2 OT -0.834000 15.9994 0
+ 8527 WT1 4951 TIP3 H1 HT 0.417000 1.0080 0
+ 8528 WT1 4951 TIP3 H2 HT 0.417000 1.0080 0
+ 8529 WT1 4957 TIP3 OH2 OT -0.834000 15.9994 0
+ 8530 WT1 4957 TIP3 H1 HT 0.417000 1.0080 0
+ 8531 WT1 4957 TIP3 H2 HT 0.417000 1.0080 0
+ 8532 WT1 4961 TIP3 OH2 OT -0.834000 15.9994 0
+ 8533 WT1 4961 TIP3 H1 HT 0.417000 1.0080 0
+ 8534 WT1 4961 TIP3 H2 HT 0.417000 1.0080 0
+ 8535 WT1 4963 TIP3 OH2 OT -0.834000 15.9994 0
+ 8536 WT1 4963 TIP3 H1 HT 0.417000 1.0080 0
+ 8537 WT1 4963 TIP3 H2 HT 0.417000 1.0080 0
+ 8538 WT1 4964 TIP3 OH2 OT -0.834000 15.9994 0
+ 8539 WT1 4964 TIP3 H1 HT 0.417000 1.0080 0
+ 8540 WT1 4964 TIP3 H2 HT 0.417000 1.0080 0
+ 8541 WT1 4965 TIP3 OH2 OT -0.834000 15.9994 0
+ 8542 WT1 4965 TIP3 H1 HT 0.417000 1.0080 0
+ 8543 WT1 4965 TIP3 H2 HT 0.417000 1.0080 0
+ 8544 WT1 4966 TIP3 OH2 OT -0.834000 15.9994 0
+ 8545 WT1 4966 TIP3 H1 HT 0.417000 1.0080 0
+ 8546 WT1 4966 TIP3 H2 HT 0.417000 1.0080 0
+ 8547 WT1 4971 TIP3 OH2 OT -0.834000 15.9994 0
+ 8548 WT1 4971 TIP3 H1 HT 0.417000 1.0080 0
+ 8549 WT1 4971 TIP3 H2 HT 0.417000 1.0080 0
+ 8550 WT1 4979 TIP3 OH2 OT -0.834000 15.9994 0
+ 8551 WT1 4979 TIP3 H1 HT 0.417000 1.0080 0
+ 8552 WT1 4979 TIP3 H2 HT 0.417000 1.0080 0
+ 8553 WT1 4980 TIP3 OH2 OT -0.834000 15.9994 0
+ 8554 WT1 4980 TIP3 H1 HT 0.417000 1.0080 0
+ 8555 WT1 4980 TIP3 H2 HT 0.417000 1.0080 0
+ 8556 WT1 4981 TIP3 OH2 OT -0.834000 15.9994 0
+ 8557 WT1 4981 TIP3 H1 HT 0.417000 1.0080 0
+ 8558 WT1 4981 TIP3 H2 HT 0.417000 1.0080 0
+ 8559 WT1 4982 TIP3 OH2 OT -0.834000 15.9994 0
+ 8560 WT1 4982 TIP3 H1 HT 0.417000 1.0080 0
+ 8561 WT1 4982 TIP3 H2 HT 0.417000 1.0080 0
+ 8562 WT1 4983 TIP3 OH2 OT -0.834000 15.9994 0
+ 8563 WT1 4983 TIP3 H1 HT 0.417000 1.0080 0
+ 8564 WT1 4983 TIP3 H2 HT 0.417000 1.0080 0
+ 8565 WT1 4985 TIP3 OH2 OT -0.834000 15.9994 0
+ 8566 WT1 4985 TIP3 H1 HT 0.417000 1.0080 0
+ 8567 WT1 4985 TIP3 H2 HT 0.417000 1.0080 0
+ 8568 WT1 4986 TIP3 OH2 OT -0.834000 15.9994 0
+ 8569 WT1 4986 TIP3 H1 HT 0.417000 1.0080 0
+ 8570 WT1 4986 TIP3 H2 HT 0.417000 1.0080 0
+ 8571 WT1 4987 TIP3 OH2 OT -0.834000 15.9994 0
+ 8572 WT1 4987 TIP3 H1 HT 0.417000 1.0080 0
+ 8573 WT1 4987 TIP3 H2 HT 0.417000 1.0080 0
+ 8574 WT1 4988 TIP3 OH2 OT -0.834000 15.9994 0
+ 8575 WT1 4988 TIP3 H1 HT 0.417000 1.0080 0
+ 8576 WT1 4988 TIP3 H2 HT 0.417000 1.0080 0
+ 8577 WT1 4989 TIP3 OH2 OT -0.834000 15.9994 0
+ 8578 WT1 4989 TIP3 H1 HT 0.417000 1.0080 0
+ 8579 WT1 4989 TIP3 H2 HT 0.417000 1.0080 0
+ 8580 WT1 4991 TIP3 OH2 OT -0.834000 15.9994 0
+ 8581 WT1 4991 TIP3 H1 HT 0.417000 1.0080 0
+ 8582 WT1 4991 TIP3 H2 HT 0.417000 1.0080 0
+ 8583 WT1 4993 TIP3 OH2 OT -0.834000 15.9994 0
+ 8584 WT1 4993 TIP3 H1 HT 0.417000 1.0080 0
+ 8585 WT1 4993 TIP3 H2 HT 0.417000 1.0080 0
+ 8586 WT1 4995 TIP3 OH2 OT -0.834000 15.9994 0
+ 8587 WT1 4995 TIP3 H1 HT 0.417000 1.0080 0
+ 8588 WT1 4995 TIP3 H2 HT 0.417000 1.0080 0
+ 8589 WT1 4996 TIP3 OH2 OT -0.834000 15.9994 0
+ 8590 WT1 4996 TIP3 H1 HT 0.417000 1.0080 0
+ 8591 WT1 4996 TIP3 H2 HT 0.417000 1.0080 0
+ 8592 WT1 4998 TIP3 OH2 OT -0.834000 15.9994 0
+ 8593 WT1 4998 TIP3 H1 HT 0.417000 1.0080 0
+ 8594 WT1 4998 TIP3 H2 HT 0.417000 1.0080 0
+ 8595 WT1 4999 TIP3 OH2 OT -0.834000 15.9994 0
+ 8596 WT1 4999 TIP3 H1 HT 0.417000 1.0080 0
+ 8597 WT1 4999 TIP3 H2 HT 0.417000 1.0080 0
+ 8598 WT1 5000 TIP3 OH2 OT -0.834000 15.9994 0
+ 8599 WT1 5000 TIP3 H1 HT 0.417000 1.0080 0
+ 8600 WT1 5000 TIP3 H2 HT 0.417000 1.0080 0
+ 8601 WT1 5001 TIP3 OH2 OT -0.834000 15.9994 0
+ 8602 WT1 5001 TIP3 H1 HT 0.417000 1.0080 0
+ 8603 WT1 5001 TIP3 H2 HT 0.417000 1.0080 0
+ 8604 WT1 5002 TIP3 OH2 OT -0.834000 15.9994 0
+ 8605 WT1 5002 TIP3 H1 HT 0.417000 1.0080 0
+ 8606 WT1 5002 TIP3 H2 HT 0.417000 1.0080 0
+ 8607 WT1 5003 TIP3 OH2 OT -0.834000 15.9994 0
+ 8608 WT1 5003 TIP3 H1 HT 0.417000 1.0080 0
+ 8609 WT1 5003 TIP3 H2 HT 0.417000 1.0080 0
+ 8610 WT1 5005 TIP3 OH2 OT -0.834000 15.9994 0
+ 8611 WT1 5005 TIP3 H1 HT 0.417000 1.0080 0
+ 8612 WT1 5005 TIP3 H2 HT 0.417000 1.0080 0
+ 8613 WT1 5007 TIP3 OH2 OT -0.834000 15.9994 0
+ 8614 WT1 5007 TIP3 H1 HT 0.417000 1.0080 0
+ 8615 WT1 5007 TIP3 H2 HT 0.417000 1.0080 0
+ 8616 WT1 5009 TIP3 OH2 OT -0.834000 15.9994 0
+ 8617 WT1 5009 TIP3 H1 HT 0.417000 1.0080 0
+ 8618 WT1 5009 TIP3 H2 HT 0.417000 1.0080 0
+ 8619 WT1 5010 TIP3 OH2 OT -0.834000 15.9994 0
+ 8620 WT1 5010 TIP3 H1 HT 0.417000 1.0080 0
+ 8621 WT1 5010 TIP3 H2 HT 0.417000 1.0080 0
+ 8622 WT1 5012 TIP3 OH2 OT -0.834000 15.9994 0
+ 8623 WT1 5012 TIP3 H1 HT 0.417000 1.0080 0
+ 8624 WT1 5012 TIP3 H2 HT 0.417000 1.0080 0
+ 8625 WT1 5013 TIP3 OH2 OT -0.834000 15.9994 0
+ 8626 WT1 5013 TIP3 H1 HT 0.417000 1.0080 0
+ 8627 WT1 5013 TIP3 H2 HT 0.417000 1.0080 0
+ 8628 WT1 5021 TIP3 OH2 OT -0.834000 15.9994 0
+ 8629 WT1 5021 TIP3 H1 HT 0.417000 1.0080 0
+ 8630 WT1 5021 TIP3 H2 HT 0.417000 1.0080 0
+ 8631 WT1 5023 TIP3 OH2 OT -0.834000 15.9994 0
+ 8632 WT1 5023 TIP3 H1 HT 0.417000 1.0080 0
+ 8633 WT1 5023 TIP3 H2 HT 0.417000 1.0080 0
+ 8634 WT1 5024 TIP3 OH2 OT -0.834000 15.9994 0
+ 8635 WT1 5024 TIP3 H1 HT 0.417000 1.0080 0
+ 8636 WT1 5024 TIP3 H2 HT 0.417000 1.0080 0
+ 8637 WT1 5026 TIP3 OH2 OT -0.834000 15.9994 0
+ 8638 WT1 5026 TIP3 H1 HT 0.417000 1.0080 0
+ 8639 WT1 5026 TIP3 H2 HT 0.417000 1.0080 0
+ 8640 WT1 5027 TIP3 OH2 OT -0.834000 15.9994 0
+ 8641 WT1 5027 TIP3 H1 HT 0.417000 1.0080 0
+ 8642 WT1 5027 TIP3 H2 HT 0.417000 1.0080 0
+ 8643 WT1 5028 TIP3 OH2 OT -0.834000 15.9994 0
+ 8644 WT1 5028 TIP3 H1 HT 0.417000 1.0080 0
+ 8645 WT1 5028 TIP3 H2 HT 0.417000 1.0080 0
+ 8646 WT1 5029 TIP3 OH2 OT -0.834000 15.9994 0
+ 8647 WT1 5029 TIP3 H1 HT 0.417000 1.0080 0
+ 8648 WT1 5029 TIP3 H2 HT 0.417000 1.0080 0
+ 8649 WT1 5030 TIP3 OH2 OT -0.834000 15.9994 0
+ 8650 WT1 5030 TIP3 H1 HT 0.417000 1.0080 0
+ 8651 WT1 5030 TIP3 H2 HT 0.417000 1.0080 0
+ 8652 WT1 5042 TIP3 OH2 OT -0.834000 15.9994 0
+ 8653 WT1 5042 TIP3 H1 HT 0.417000 1.0080 0
+ 8654 WT1 5042 TIP3 H2 HT 0.417000 1.0080 0
+ 8655 WT1 5043 TIP3 OH2 OT -0.834000 15.9994 0
+ 8656 WT1 5043 TIP3 H1 HT 0.417000 1.0080 0
+ 8657 WT1 5043 TIP3 H2 HT 0.417000 1.0080 0
+ 8658 WT1 5044 TIP3 OH2 OT -0.834000 15.9994 0
+ 8659 WT1 5044 TIP3 H1 HT 0.417000 1.0080 0
+ 8660 WT1 5044 TIP3 H2 HT 0.417000 1.0080 0
+ 8661 WT1 5047 TIP3 OH2 OT -0.834000 15.9994 0
+ 8662 WT1 5047 TIP3 H1 HT 0.417000 1.0080 0
+ 8663 WT1 5047 TIP3 H2 HT 0.417000 1.0080 0
+ 8664 WT1 5048 TIP3 OH2 OT -0.834000 15.9994 0
+ 8665 WT1 5048 TIP3 H1 HT 0.417000 1.0080 0
+ 8666 WT1 5048 TIP3 H2 HT 0.417000 1.0080 0
+ 8667 WT1 5049 TIP3 OH2 OT -0.834000 15.9994 0
+ 8668 WT1 5049 TIP3 H1 HT 0.417000 1.0080 0
+ 8669 WT1 5049 TIP3 H2 HT 0.417000 1.0080 0
+ 8670 WT1 5050 TIP3 OH2 OT -0.834000 15.9994 0
+ 8671 WT1 5050 TIP3 H1 HT 0.417000 1.0080 0
+ 8672 WT1 5050 TIP3 H2 HT 0.417000 1.0080 0
+ 8673 WT1 5053 TIP3 OH2 OT -0.834000 15.9994 0
+ 8674 WT1 5053 TIP3 H1 HT 0.417000 1.0080 0
+ 8675 WT1 5053 TIP3 H2 HT 0.417000 1.0080 0
+ 8676 WT1 5055 TIP3 OH2 OT -0.834000 15.9994 0
+ 8677 WT1 5055 TIP3 H1 HT 0.417000 1.0080 0
+ 8678 WT1 5055 TIP3 H2 HT 0.417000 1.0080 0
+ 8679 WT1 5056 TIP3 OH2 OT -0.834000 15.9994 0
+ 8680 WT1 5056 TIP3 H1 HT 0.417000 1.0080 0
+ 8681 WT1 5056 TIP3 H2 HT 0.417000 1.0080 0
+ 8682 WT1 5060 TIP3 OH2 OT -0.834000 15.9994 0
+ 8683 WT1 5060 TIP3 H1 HT 0.417000 1.0080 0
+ 8684 WT1 5060 TIP3 H2 HT 0.417000 1.0080 0
+ 8685 WT1 5061 TIP3 OH2 OT -0.834000 15.9994 0
+ 8686 WT1 5061 TIP3 H1 HT 0.417000 1.0080 0
+ 8687 WT1 5061 TIP3 H2 HT 0.417000 1.0080 0
+ 8688 WT1 5063 TIP3 OH2 OT -0.834000 15.9994 0
+ 8689 WT1 5063 TIP3 H1 HT 0.417000 1.0080 0
+ 8690 WT1 5063 TIP3 H2 HT 0.417000 1.0080 0
+ 8691 WT1 5064 TIP3 OH2 OT -0.834000 15.9994 0
+ 8692 WT1 5064 TIP3 H1 HT 0.417000 1.0080 0
+ 8693 WT1 5064 TIP3 H2 HT 0.417000 1.0080 0
+ 8694 WT1 5065 TIP3 OH2 OT -0.834000 15.9994 0
+ 8695 WT1 5065 TIP3 H1 HT 0.417000 1.0080 0
+ 8696 WT1 5065 TIP3 H2 HT 0.417000 1.0080 0
+ 8697 WT1 5066 TIP3 OH2 OT -0.834000 15.9994 0
+ 8698 WT1 5066 TIP3 H1 HT 0.417000 1.0080 0
+ 8699 WT1 5066 TIP3 H2 HT 0.417000 1.0080 0
+ 8700 WT1 5067 TIP3 OH2 OT -0.834000 15.9994 0
+ 8701 WT1 5067 TIP3 H1 HT 0.417000 1.0080 0
+ 8702 WT1 5067 TIP3 H2 HT 0.417000 1.0080 0
+ 8703 WT1 5068 TIP3 OH2 OT -0.834000 15.9994 0
+ 8704 WT1 5068 TIP3 H1 HT 0.417000 1.0080 0
+ 8705 WT1 5068 TIP3 H2 HT 0.417000 1.0080 0
+ 8706 WT1 5069 TIP3 OH2 OT -0.834000 15.9994 0
+ 8707 WT1 5069 TIP3 H1 HT 0.417000 1.0080 0
+ 8708 WT1 5069 TIP3 H2 HT 0.417000 1.0080 0
+ 8709 WT1 5071 TIP3 OH2 OT -0.834000 15.9994 0
+ 8710 WT1 5071 TIP3 H1 HT 0.417000 1.0080 0
+ 8711 WT1 5071 TIP3 H2 HT 0.417000 1.0080 0
+ 8712 WT1 5075 TIP3 OH2 OT -0.834000 15.9994 0
+ 8713 WT1 5075 TIP3 H1 HT 0.417000 1.0080 0
+ 8714 WT1 5075 TIP3 H2 HT 0.417000 1.0080 0
+ 8715 WT1 5086 TIP3 OH2 OT -0.834000 15.9994 0
+ 8716 WT1 5086 TIP3 H1 HT 0.417000 1.0080 0
+ 8717 WT1 5086 TIP3 H2 HT 0.417000 1.0080 0
+ 8718 WT1 5087 TIP3 OH2 OT -0.834000 15.9994 0
+ 8719 WT1 5087 TIP3 H1 HT 0.417000 1.0080 0
+ 8720 WT1 5087 TIP3 H2 HT 0.417000 1.0080 0
+ 8721 WT1 5088 TIP3 OH2 OT -0.834000 15.9994 0
+ 8722 WT1 5088 TIP3 H1 HT 0.417000 1.0080 0
+ 8723 WT1 5088 TIP3 H2 HT 0.417000 1.0080 0
+ 8724 WT1 5089 TIP3 OH2 OT -0.834000 15.9994 0
+ 8725 WT1 5089 TIP3 H1 HT 0.417000 1.0080 0
+ 8726 WT1 5089 TIP3 H2 HT 0.417000 1.0080 0
+ 8727 WT1 5090 TIP3 OH2 OT -0.834000 15.9994 0
+ 8728 WT1 5090 TIP3 H1 HT 0.417000 1.0080 0
+ 8729 WT1 5090 TIP3 H2 HT 0.417000 1.0080 0
+ 8730 WT1 5091 TIP3 OH2 OT -0.834000 15.9994 0
+ 8731 WT1 5091 TIP3 H1 HT 0.417000 1.0080 0
+ 8732 WT1 5091 TIP3 H2 HT 0.417000 1.0080 0
+ 8733 WT1 5093 TIP3 OH2 OT -0.834000 15.9994 0
+ 8734 WT1 5093 TIP3 H1 HT 0.417000 1.0080 0
+ 8735 WT1 5093 TIP3 H2 HT 0.417000 1.0080 0
+ 8736 WT1 5095 TIP3 OH2 OT -0.834000 15.9994 0
+ 8737 WT1 5095 TIP3 H1 HT 0.417000 1.0080 0
+ 8738 WT1 5095 TIP3 H2 HT 0.417000 1.0080 0
+ 8739 WT1 5098 TIP3 OH2 OT -0.834000 15.9994 0
+ 8740 WT1 5098 TIP3 H1 HT 0.417000 1.0080 0
+ 8741 WT1 5098 TIP3 H2 HT 0.417000 1.0080 0
+ 8742 WT1 5104 TIP3 OH2 OT -0.834000 15.9994 0
+ 8743 WT1 5104 TIP3 H1 HT 0.417000 1.0080 0
+ 8744 WT1 5104 TIP3 H2 HT 0.417000 1.0080 0
+ 8745 WT1 5106 TIP3 OH2 OT -0.834000 15.9994 0
+ 8746 WT1 5106 TIP3 H1 HT 0.417000 1.0080 0
+ 8747 WT1 5106 TIP3 H2 HT 0.417000 1.0080 0
+ 8748 WT1 5108 TIP3 OH2 OT -0.834000 15.9994 0
+ 8749 WT1 5108 TIP3 H1 HT 0.417000 1.0080 0
+ 8750 WT1 5108 TIP3 H2 HT 0.417000 1.0080 0
+ 8751 WT1 5109 TIP3 OH2 OT -0.834000 15.9994 0
+ 8752 WT1 5109 TIP3 H1 HT 0.417000 1.0080 0
+ 8753 WT1 5109 TIP3 H2 HT 0.417000 1.0080 0
+ 8754 WT1 5110 TIP3 OH2 OT -0.834000 15.9994 0
+ 8755 WT1 5110 TIP3 H1 HT 0.417000 1.0080 0
+ 8756 WT1 5110 TIP3 H2 HT 0.417000 1.0080 0
+ 8757 WT1 5111 TIP3 OH2 OT -0.834000 15.9994 0
+ 8758 WT1 5111 TIP3 H1 HT 0.417000 1.0080 0
+ 8759 WT1 5111 TIP3 H2 HT 0.417000 1.0080 0
+ 8760 WT1 5112 TIP3 OH2 OT -0.834000 15.9994 0
+ 8761 WT1 5112 TIP3 H1 HT 0.417000 1.0080 0
+ 8762 WT1 5112 TIP3 H2 HT 0.417000 1.0080 0
+ 8763 WT1 5113 TIP3 OH2 OT -0.834000 15.9994 0
+ 8764 WT1 5113 TIP3 H1 HT 0.417000 1.0080 0
+ 8765 WT1 5113 TIP3 H2 HT 0.417000 1.0080 0
+ 8766 WT1 5115 TIP3 OH2 OT -0.834000 15.9994 0
+ 8767 WT1 5115 TIP3 H1 HT 0.417000 1.0080 0
+ 8768 WT1 5115 TIP3 H2 HT 0.417000 1.0080 0
+ 8769 WT1 5117 TIP3 OH2 OT -0.834000 15.9994 0
+ 8770 WT1 5117 TIP3 H1 HT 0.417000 1.0080 0
+ 8771 WT1 5117 TIP3 H2 HT 0.417000 1.0080 0
+ 8772 WT1 5118 TIP3 OH2 OT -0.834000 15.9994 0
+ 8773 WT1 5118 TIP3 H1 HT 0.417000 1.0080 0
+ 8774 WT1 5118 TIP3 H2 HT 0.417000 1.0080 0
+ 8775 WT1 5121 TIP3 OH2 OT -0.834000 15.9994 0
+ 8776 WT1 5121 TIP3 H1 HT 0.417000 1.0080 0
+ 8777 WT1 5121 TIP3 H2 HT 0.417000 1.0080 0
+ 8778 WT1 5125 TIP3 OH2 OT -0.834000 15.9994 0
+ 8779 WT1 5125 TIP3 H1 HT 0.417000 1.0080 0
+ 8780 WT1 5125 TIP3 H2 HT 0.417000 1.0080 0
+ 8781 WT1 5126 TIP3 OH2 OT -0.834000 15.9994 0
+ 8782 WT1 5126 TIP3 H1 HT 0.417000 1.0080 0
+ 8783 WT1 5126 TIP3 H2 HT 0.417000 1.0080 0
+ 8784 WT1 5127 TIP3 OH2 OT -0.834000 15.9994 0
+ 8785 WT1 5127 TIP3 H1 HT 0.417000 1.0080 0
+ 8786 WT1 5127 TIP3 H2 HT 0.417000 1.0080 0
+ 8787 WT1 5128 TIP3 OH2 OT -0.834000 15.9994 0
+ 8788 WT1 5128 TIP3 H1 HT 0.417000 1.0080 0
+ 8789 WT1 5128 TIP3 H2 HT 0.417000 1.0080 0
+ 8790 WT1 5129 TIP3 OH2 OT -0.834000 15.9994 0
+ 8791 WT1 5129 TIP3 H1 HT 0.417000 1.0080 0
+ 8792 WT1 5129 TIP3 H2 HT 0.417000 1.0080 0
+ 8793 WT1 5130 TIP3 OH2 OT -0.834000 15.9994 0
+ 8794 WT1 5130 TIP3 H1 HT 0.417000 1.0080 0
+ 8795 WT1 5130 TIP3 H2 HT 0.417000 1.0080 0
+ 8796 WT1 5131 TIP3 OH2 OT -0.834000 15.9994 0
+ 8797 WT1 5131 TIP3 H1 HT 0.417000 1.0080 0
+ 8798 WT1 5131 TIP3 H2 HT 0.417000 1.0080 0
+ 8799 WT1 5132 TIP3 OH2 OT -0.834000 15.9994 0
+ 8800 WT1 5132 TIP3 H1 HT 0.417000 1.0080 0
+ 8801 WT1 5132 TIP3 H2 HT 0.417000 1.0080 0
+ 8802 WT1 5133 TIP3 OH2 OT -0.834000 15.9994 0
+ 8803 WT1 5133 TIP3 H1 HT 0.417000 1.0080 0
+ 8804 WT1 5133 TIP3 H2 HT 0.417000 1.0080 0
+ 8805 WT1 5134 TIP3 OH2 OT -0.834000 15.9994 0
+ 8806 WT1 5134 TIP3 H1 HT 0.417000 1.0080 0
+ 8807 WT1 5134 TIP3 H2 HT 0.417000 1.0080 0
+ 8808 WT1 5136 TIP3 OH2 OT -0.834000 15.9994 0
+ 8809 WT1 5136 TIP3 H1 HT 0.417000 1.0080 0
+ 8810 WT1 5136 TIP3 H2 HT 0.417000 1.0080 0
+ 8811 WT1 5137 TIP3 OH2 OT -0.834000 15.9994 0
+ 8812 WT1 5137 TIP3 H1 HT 0.417000 1.0080 0
+ 8813 WT1 5137 TIP3 H2 HT 0.417000 1.0080 0
+ 8814 WT1 5140 TIP3 OH2 OT -0.834000 15.9994 0
+ 8815 WT1 5140 TIP3 H1 HT 0.417000 1.0080 0
+ 8816 WT1 5140 TIP3 H2 HT 0.417000 1.0080 0
+ 8817 WT1 5146 TIP3 OH2 OT -0.834000 15.9994 0
+ 8818 WT1 5146 TIP3 H1 HT 0.417000 1.0080 0
+ 8819 WT1 5146 TIP3 H2 HT 0.417000 1.0080 0
+ 8820 WT1 5147 TIP3 OH2 OT -0.834000 15.9994 0
+ 8821 WT1 5147 TIP3 H1 HT 0.417000 1.0080 0
+ 8822 WT1 5147 TIP3 H2 HT 0.417000 1.0080 0
+ 8823 WT1 5149 TIP3 OH2 OT -0.834000 15.9994 0
+ 8824 WT1 5149 TIP3 H1 HT 0.417000 1.0080 0
+ 8825 WT1 5149 TIP3 H2 HT 0.417000 1.0080 0
+ 8826 WT1 5150 TIP3 OH2 OT -0.834000 15.9994 0
+ 8827 WT1 5150 TIP3 H1 HT 0.417000 1.0080 0
+ 8828 WT1 5150 TIP3 H2 HT 0.417000 1.0080 0
+ 8829 WT1 5152 TIP3 OH2 OT -0.834000 15.9994 0
+ 8830 WT1 5152 TIP3 H1 HT 0.417000 1.0080 0
+ 8831 WT1 5152 TIP3 H2 HT 0.417000 1.0080 0
+ 8832 WT1 5153 TIP3 OH2 OT -0.834000 15.9994 0
+ 8833 WT1 5153 TIP3 H1 HT 0.417000 1.0080 0
+ 8834 WT1 5153 TIP3 H2 HT 0.417000 1.0080 0
+ 8835 WT1 5154 TIP3 OH2 OT -0.834000 15.9994 0
+ 8836 WT1 5154 TIP3 H1 HT 0.417000 1.0080 0
+ 8837 WT1 5154 TIP3 H2 HT 0.417000 1.0080 0
+ 8838 WT1 5156 TIP3 OH2 OT -0.834000 15.9994 0
+ 8839 WT1 5156 TIP3 H1 HT 0.417000 1.0080 0
+ 8840 WT1 5156 TIP3 H2 HT 0.417000 1.0080 0
+ 8841 WT1 5157 TIP3 OH2 OT -0.834000 15.9994 0
+ 8842 WT1 5157 TIP3 H1 HT 0.417000 1.0080 0
+ 8843 WT1 5157 TIP3 H2 HT 0.417000 1.0080 0
+ 8844 WT1 5158 TIP3 OH2 OT -0.834000 15.9994 0
+ 8845 WT1 5158 TIP3 H1 HT 0.417000 1.0080 0
+ 8846 WT1 5158 TIP3 H2 HT 0.417000 1.0080 0
+ 8847 WT1 5161 TIP3 OH2 OT -0.834000 15.9994 0
+ 8848 WT1 5161 TIP3 H1 HT 0.417000 1.0080 0
+ 8849 WT1 5161 TIP3 H2 HT 0.417000 1.0080 0
+ 8850 WT1 5162 TIP3 OH2 OT -0.834000 15.9994 0
+ 8851 WT1 5162 TIP3 H1 HT 0.417000 1.0080 0
+ 8852 WT1 5162 TIP3 H2 HT 0.417000 1.0080 0
+ 8853 WT1 5164 TIP3 OH2 OT -0.834000 15.9994 0
+ 8854 WT1 5164 TIP3 H1 HT 0.417000 1.0080 0
+ 8855 WT1 5164 TIP3 H2 HT 0.417000 1.0080 0
+ 8856 WT1 5165 TIP3 OH2 OT -0.834000 15.9994 0
+ 8857 WT1 5165 TIP3 H1 HT 0.417000 1.0080 0
+ 8858 WT1 5165 TIP3 H2 HT 0.417000 1.0080 0
+ 8859 WT1 5168 TIP3 OH2 OT -0.834000 15.9994 0
+ 8860 WT1 5168 TIP3 H1 HT 0.417000 1.0080 0
+ 8861 WT1 5168 TIP3 H2 HT 0.417000 1.0080 0
+ 8862 WT1 5171 TIP3 OH2 OT -0.834000 15.9994 0
+ 8863 WT1 5171 TIP3 H1 HT 0.417000 1.0080 0
+ 8864 WT1 5171 TIP3 H2 HT 0.417000 1.0080 0
+ 8865 WT1 5172 TIP3 OH2 OT -0.834000 15.9994 0
+ 8866 WT1 5172 TIP3 H1 HT 0.417000 1.0080 0
+ 8867 WT1 5172 TIP3 H2 HT 0.417000 1.0080 0
+ 8868 WT1 5176 TIP3 OH2 OT -0.834000 15.9994 0
+ 8869 WT1 5176 TIP3 H1 HT 0.417000 1.0080 0
+ 8870 WT1 5176 TIP3 H2 HT 0.417000 1.0080 0
+ 8871 WT1 5178 TIP3 OH2 OT -0.834000 15.9994 0
+ 8872 WT1 5178 TIP3 H1 HT 0.417000 1.0080 0
+ 8873 WT1 5178 TIP3 H2 HT 0.417000 1.0080 0
+ 8874 WT1 5180 TIP3 OH2 OT -0.834000 15.9994 0
+ 8875 WT1 5180 TIP3 H1 HT 0.417000 1.0080 0
+ 8876 WT1 5180 TIP3 H2 HT 0.417000 1.0080 0
+ 8877 WT1 5182 TIP3 OH2 OT -0.834000 15.9994 0
+ 8878 WT1 5182 TIP3 H1 HT 0.417000 1.0080 0
+ 8879 WT1 5182 TIP3 H2 HT 0.417000 1.0080 0
+ 8880 WT1 5186 TIP3 OH2 OT -0.834000 15.9994 0
+ 8881 WT1 5186 TIP3 H1 HT 0.417000 1.0080 0
+ 8882 WT1 5186 TIP3 H2 HT 0.417000 1.0080 0
+ 8883 WT1 5188 TIP3 OH2 OT -0.834000 15.9994 0
+ 8884 WT1 5188 TIP3 H1 HT 0.417000 1.0080 0
+ 8885 WT1 5188 TIP3 H2 HT 0.417000 1.0080 0
+ 8886 WT1 5189 TIP3 OH2 OT -0.834000 15.9994 0
+ 8887 WT1 5189 TIP3 H1 HT 0.417000 1.0080 0
+ 8888 WT1 5189 TIP3 H2 HT 0.417000 1.0080 0
+ 8889 WT1 5190 TIP3 OH2 OT -0.834000 15.9994 0
+ 8890 WT1 5190 TIP3 H1 HT 0.417000 1.0080 0
+ 8891 WT1 5190 TIP3 H2 HT 0.417000 1.0080 0
+ 8892 WT1 5191 TIP3 OH2 OT -0.834000 15.9994 0
+ 8893 WT1 5191 TIP3 H1 HT 0.417000 1.0080 0
+ 8894 WT1 5191 TIP3 H2 HT 0.417000 1.0080 0
+ 8895 WT1 5192 TIP3 OH2 OT -0.834000 15.9994 0
+ 8896 WT1 5192 TIP3 H1 HT 0.417000 1.0080 0
+ 8897 WT1 5192 TIP3 H2 HT 0.417000 1.0080 0
+ 8898 WT1 5194 TIP3 OH2 OT -0.834000 15.9994 0
+ 8899 WT1 5194 TIP3 H1 HT 0.417000 1.0080 0
+ 8900 WT1 5194 TIP3 H2 HT 0.417000 1.0080 0
+ 8901 WT1 5195 TIP3 OH2 OT -0.834000 15.9994 0
+ 8902 WT1 5195 TIP3 H1 HT 0.417000 1.0080 0
+ 8903 WT1 5195 TIP3 H2 HT 0.417000 1.0080 0
+ 8904 WT1 5196 TIP3 OH2 OT -0.834000 15.9994 0
+ 8905 WT1 5196 TIP3 H1 HT 0.417000 1.0080 0
+ 8906 WT1 5196 TIP3 H2 HT 0.417000 1.0080 0
+ 8907 WT1 5197 TIP3 OH2 OT -0.834000 15.9994 0
+ 8908 WT1 5197 TIP3 H1 HT 0.417000 1.0080 0
+ 8909 WT1 5197 TIP3 H2 HT 0.417000 1.0080 0
+ 8910 WT1 5198 TIP3 OH2 OT -0.834000 15.9994 0
+ 8911 WT1 5198 TIP3 H1 HT 0.417000 1.0080 0
+ 8912 WT1 5198 TIP3 H2 HT 0.417000 1.0080 0
+ 8913 WT1 5199 TIP3 OH2 OT -0.834000 15.9994 0
+ 8914 WT1 5199 TIP3 H1 HT 0.417000 1.0080 0
+ 8915 WT1 5199 TIP3 H2 HT 0.417000 1.0080 0
+ 8916 WT1 5200 TIP3 OH2 OT -0.834000 15.9994 0
+ 8917 WT1 5200 TIP3 H1 HT 0.417000 1.0080 0
+ 8918 WT1 5200 TIP3 H2 HT 0.417000 1.0080 0
+ 8919 WT1 5201 TIP3 OH2 OT -0.834000 15.9994 0
+ 8920 WT1 5201 TIP3 H1 HT 0.417000 1.0080 0
+ 8921 WT1 5201 TIP3 H2 HT 0.417000 1.0080 0
+ 8922 WT1 5205 TIP3 OH2 OT -0.834000 15.9994 0
+ 8923 WT1 5205 TIP3 H1 HT 0.417000 1.0080 0
+ 8924 WT1 5205 TIP3 H2 HT 0.417000 1.0080 0
+ 8925 WT1 5206 TIP3 OH2 OT -0.834000 15.9994 0
+ 8926 WT1 5206 TIP3 H1 HT 0.417000 1.0080 0
+ 8927 WT1 5206 TIP3 H2 HT 0.417000 1.0080 0
+ 8928 WT1 5211 TIP3 OH2 OT -0.834000 15.9994 0
+ 8929 WT1 5211 TIP3 H1 HT 0.417000 1.0080 0
+ 8930 WT1 5211 TIP3 H2 HT 0.417000 1.0080 0
+ 8931 WT1 5212 TIP3 OH2 OT -0.834000 15.9994 0
+ 8932 WT1 5212 TIP3 H1 HT 0.417000 1.0080 0
+ 8933 WT1 5212 TIP3 H2 HT 0.417000 1.0080 0
+ 8934 WT1 5214 TIP3 OH2 OT -0.834000 15.9994 0
+ 8935 WT1 5214 TIP3 H1 HT 0.417000 1.0080 0
+ 8936 WT1 5214 TIP3 H2 HT 0.417000 1.0080 0
+ 8937 WT1 5215 TIP3 OH2 OT -0.834000 15.9994 0
+ 8938 WT1 5215 TIP3 H1 HT 0.417000 1.0080 0
+ 8939 WT1 5215 TIP3 H2 HT 0.417000 1.0080 0
+ 8940 WT1 5216 TIP3 OH2 OT -0.834000 15.9994 0
+ 8941 WT1 5216 TIP3 H1 HT 0.417000 1.0080 0
+ 8942 WT1 5216 TIP3 H2 HT 0.417000 1.0080 0
+ 8943 WT1 5217 TIP3 OH2 OT -0.834000 15.9994 0
+ 8944 WT1 5217 TIP3 H1 HT 0.417000 1.0080 0
+ 8945 WT1 5217 TIP3 H2 HT 0.417000 1.0080 0
+ 8946 WT1 5218 TIP3 OH2 OT -0.834000 15.9994 0
+ 8947 WT1 5218 TIP3 H1 HT 0.417000 1.0080 0
+ 8948 WT1 5218 TIP3 H2 HT 0.417000 1.0080 0
+ 8949 WT1 5220 TIP3 OH2 OT -0.834000 15.9994 0
+ 8950 WT1 5220 TIP3 H1 HT 0.417000 1.0080 0
+ 8951 WT1 5220 TIP3 H2 HT 0.417000 1.0080 0
+ 8952 WT1 5221 TIP3 OH2 OT -0.834000 15.9994 0
+ 8953 WT1 5221 TIP3 H1 HT 0.417000 1.0080 0
+ 8954 WT1 5221 TIP3 H2 HT 0.417000 1.0080 0
+ 8955 WT1 5223 TIP3 OH2 OT -0.834000 15.9994 0
+ 8956 WT1 5223 TIP3 H1 HT 0.417000 1.0080 0
+ 8957 WT1 5223 TIP3 H2 HT 0.417000 1.0080 0
+ 8958 WT1 5224 TIP3 OH2 OT -0.834000 15.9994 0
+ 8959 WT1 5224 TIP3 H1 HT 0.417000 1.0080 0
+ 8960 WT1 5224 TIP3 H2 HT 0.417000 1.0080 0
+ 8961 WT1 5230 TIP3 OH2 OT -0.834000 15.9994 0
+ 8962 WT1 5230 TIP3 H1 HT 0.417000 1.0080 0
+ 8963 WT1 5230 TIP3 H2 HT 0.417000 1.0080 0
+ 8964 WT1 5231 TIP3 OH2 OT -0.834000 15.9994 0
+ 8965 WT1 5231 TIP3 H1 HT 0.417000 1.0080 0
+ 8966 WT1 5231 TIP3 H2 HT 0.417000 1.0080 0
+ 8967 WT1 5232 TIP3 OH2 OT -0.834000 15.9994 0
+ 8968 WT1 5232 TIP3 H1 HT 0.417000 1.0080 0
+ 8969 WT1 5232 TIP3 H2 HT 0.417000 1.0080 0
+ 8970 WT1 5233 TIP3 OH2 OT -0.834000 15.9994 0
+ 8971 WT1 5233 TIP3 H1 HT 0.417000 1.0080 0
+ 8972 WT1 5233 TIP3 H2 HT 0.417000 1.0080 0
+ 8973 WT1 5234 TIP3 OH2 OT -0.834000 15.9994 0
+ 8974 WT1 5234 TIP3 H1 HT 0.417000 1.0080 0
+ 8975 WT1 5234 TIP3 H2 HT 0.417000 1.0080 0
+ 8976 WT1 5235 TIP3 OH2 OT -0.834000 15.9994 0
+ 8977 WT1 5235 TIP3 H1 HT 0.417000 1.0080 0
+ 8978 WT1 5235 TIP3 H2 HT 0.417000 1.0080 0
+ 8979 WT1 5236 TIP3 OH2 OT -0.834000 15.9994 0
+ 8980 WT1 5236 TIP3 H1 HT 0.417000 1.0080 0
+ 8981 WT1 5236 TIP3 H2 HT 0.417000 1.0080 0
+ 8982 WT1 5237 TIP3 OH2 OT -0.834000 15.9994 0
+ 8983 WT1 5237 TIP3 H1 HT 0.417000 1.0080 0
+ 8984 WT1 5237 TIP3 H2 HT 0.417000 1.0080 0
+ 8985 WT1 5238 TIP3 OH2 OT -0.834000 15.9994 0
+ 8986 WT1 5238 TIP3 H1 HT 0.417000 1.0080 0
+ 8987 WT1 5238 TIP3 H2 HT 0.417000 1.0080 0
+ 8988 WT1 5240 TIP3 OH2 OT -0.834000 15.9994 0
+ 8989 WT1 5240 TIP3 H1 HT 0.417000 1.0080 0
+ 8990 WT1 5240 TIP3 H2 HT 0.417000 1.0080 0
+ 8991 WT1 5241 TIP3 OH2 OT -0.834000 15.9994 0
+ 8992 WT1 5241 TIP3 H1 HT 0.417000 1.0080 0
+ 8993 WT1 5241 TIP3 H2 HT 0.417000 1.0080 0
+ 8994 WT1 5242 TIP3 OH2 OT -0.834000 15.9994 0
+ 8995 WT1 5242 TIP3 H1 HT 0.417000 1.0080 0
+ 8996 WT1 5242 TIP3 H2 HT 0.417000 1.0080 0
+ 8997 WT1 5244 TIP3 OH2 OT -0.834000 15.9994 0
+ 8998 WT1 5244 TIP3 H1 HT 0.417000 1.0080 0
+ 8999 WT1 5244 TIP3 H2 HT 0.417000 1.0080 0
+ 9000 WT1 5251 TIP3 OH2 OT -0.834000 15.9994 0
+ 9001 WT1 5251 TIP3 H1 HT 0.417000 1.0080 0
+ 9002 WT1 5251 TIP3 H2 HT 0.417000 1.0080 0
+ 9003 WT1 5253 TIP3 OH2 OT -0.834000 15.9994 0
+ 9004 WT1 5253 TIP3 H1 HT 0.417000 1.0080 0
+ 9005 WT1 5253 TIP3 H2 HT 0.417000 1.0080 0
+ 9006 WT1 5255 TIP3 OH2 OT -0.834000 15.9994 0
+ 9007 WT1 5255 TIP3 H1 HT 0.417000 1.0080 0
+ 9008 WT1 5255 TIP3 H2 HT 0.417000 1.0080 0
+ 9009 WT1 5257 TIP3 OH2 OT -0.834000 15.9994 0
+ 9010 WT1 5257 TIP3 H1 HT 0.417000 1.0080 0
+ 9011 WT1 5257 TIP3 H2 HT 0.417000 1.0080 0
+ 9012 WT1 5258 TIP3 OH2 OT -0.834000 15.9994 0
+ 9013 WT1 5258 TIP3 H1 HT 0.417000 1.0080 0
+ 9014 WT1 5258 TIP3 H2 HT 0.417000 1.0080 0
+ 9015 WT1 5259 TIP3 OH2 OT -0.834000 15.9994 0
+ 9016 WT1 5259 TIP3 H1 HT 0.417000 1.0080 0
+ 9017 WT1 5259 TIP3 H2 HT 0.417000 1.0080 0
+ 9018 WT1 5260 TIP3 OH2 OT -0.834000 15.9994 0
+ 9019 WT1 5260 TIP3 H1 HT 0.417000 1.0080 0
+ 9020 WT1 5260 TIP3 H2 HT 0.417000 1.0080 0
+ 9021 WT1 5261 TIP3 OH2 OT -0.834000 15.9994 0
+ 9022 WT1 5261 TIP3 H1 HT 0.417000 1.0080 0
+ 9023 WT1 5261 TIP3 H2 HT 0.417000 1.0080 0
+ 9024 WT1 5262 TIP3 OH2 OT -0.834000 15.9994 0
+ 9025 WT1 5262 TIP3 H1 HT 0.417000 1.0080 0
+ 9026 WT1 5262 TIP3 H2 HT 0.417000 1.0080 0
+ 9027 WT1 5263 TIP3 OH2 OT -0.834000 15.9994 0
+ 9028 WT1 5263 TIP3 H1 HT 0.417000 1.0080 0
+ 9029 WT1 5263 TIP3 H2 HT 0.417000 1.0080 0
+ 9030 WT1 5267 TIP3 OH2 OT -0.834000 15.9994 0
+ 9031 WT1 5267 TIP3 H1 HT 0.417000 1.0080 0
+ 9032 WT1 5267 TIP3 H2 HT 0.417000 1.0080 0
+ 9033 WT1 5269 TIP3 OH2 OT -0.834000 15.9994 0
+ 9034 WT1 5269 TIP3 H1 HT 0.417000 1.0080 0
+ 9035 WT1 5269 TIP3 H2 HT 0.417000 1.0080 0
+ 9036 WT1 5270 TIP3 OH2 OT -0.834000 15.9994 0
+ 9037 WT1 5270 TIP3 H1 HT 0.417000 1.0080 0
+ 9038 WT1 5270 TIP3 H2 HT 0.417000 1.0080 0
+ 9039 WT1 5272 TIP3 OH2 OT -0.834000 15.9994 0
+ 9040 WT1 5272 TIP3 H1 HT 0.417000 1.0080 0
+ 9041 WT1 5272 TIP3 H2 HT 0.417000 1.0080 0
+ 9042 WT1 5274 TIP3 OH2 OT -0.834000 15.9994 0
+ 9043 WT1 5274 TIP3 H1 HT 0.417000 1.0080 0
+ 9044 WT1 5274 TIP3 H2 HT 0.417000 1.0080 0
+ 9045 WT1 5275 TIP3 OH2 OT -0.834000 15.9994 0
+ 9046 WT1 5275 TIP3 H1 HT 0.417000 1.0080 0
+ 9047 WT1 5275 TIP3 H2 HT 0.417000 1.0080 0
+ 9048 WT1 5276 TIP3 OH2 OT -0.834000 15.9994 0
+ 9049 WT1 5276 TIP3 H1 HT 0.417000 1.0080 0
+ 9050 WT1 5276 TIP3 H2 HT 0.417000 1.0080 0
+ 9051 WT1 5277 TIP3 OH2 OT -0.834000 15.9994 0
+ 9052 WT1 5277 TIP3 H1 HT 0.417000 1.0080 0
+ 9053 WT1 5277 TIP3 H2 HT 0.417000 1.0080 0
+ 9054 WT1 5278 TIP3 OH2 OT -0.834000 15.9994 0
+ 9055 WT1 5278 TIP3 H1 HT 0.417000 1.0080 0
+ 9056 WT1 5278 TIP3 H2 HT 0.417000 1.0080 0
+ 9057 WT1 5279 TIP3 OH2 OT -0.834000 15.9994 0
+ 9058 WT1 5279 TIP3 H1 HT 0.417000 1.0080 0
+ 9059 WT1 5279 TIP3 H2 HT 0.417000 1.0080 0
+ 9060 WT1 5280 TIP3 OH2 OT -0.834000 15.9994 0
+ 9061 WT1 5280 TIP3 H1 HT 0.417000 1.0080 0
+ 9062 WT1 5280 TIP3 H2 HT 0.417000 1.0080 0
+ 9063 WT1 5281 TIP3 OH2 OT -0.834000 15.9994 0
+ 9064 WT1 5281 TIP3 H1 HT 0.417000 1.0080 0
+ 9065 WT1 5281 TIP3 H2 HT 0.417000 1.0080 0
+ 9066 WT1 5282 TIP3 OH2 OT -0.834000 15.9994 0
+ 9067 WT1 5282 TIP3 H1 HT 0.417000 1.0080 0
+ 9068 WT1 5282 TIP3 H2 HT 0.417000 1.0080 0
+ 9069 WT1 5287 TIP3 OH2 OT -0.834000 15.9994 0
+ 9070 WT1 5287 TIP3 H1 HT 0.417000 1.0080 0
+ 9071 WT1 5287 TIP3 H2 HT 0.417000 1.0080 0
+ 9072 WT1 5292 TIP3 OH2 OT -0.834000 15.9994 0
+ 9073 WT1 5292 TIP3 H1 HT 0.417000 1.0080 0
+ 9074 WT1 5292 TIP3 H2 HT 0.417000 1.0080 0
+ 9075 WT1 5294 TIP3 OH2 OT -0.834000 15.9994 0
+ 9076 WT1 5294 TIP3 H1 HT 0.417000 1.0080 0
+ 9077 WT1 5294 TIP3 H2 HT 0.417000 1.0080 0
+ 9078 WT1 5295 TIP3 OH2 OT -0.834000 15.9994 0
+ 9079 WT1 5295 TIP3 H1 HT 0.417000 1.0080 0
+ 9080 WT1 5295 TIP3 H2 HT 0.417000 1.0080 0
+ 9081 WT1 5299 TIP3 OH2 OT -0.834000 15.9994 0
+ 9082 WT1 5299 TIP3 H1 HT 0.417000 1.0080 0
+ 9083 WT1 5299 TIP3 H2 HT 0.417000 1.0080 0
+ 9084 WT1 5300 TIP3 OH2 OT -0.834000 15.9994 0
+ 9085 WT1 5300 TIP3 H1 HT 0.417000 1.0080 0
+ 9086 WT1 5300 TIP3 H2 HT 0.417000 1.0080 0
+ 9087 WT1 5302 TIP3 OH2 OT -0.834000 15.9994 0
+ 9088 WT1 5302 TIP3 H1 HT 0.417000 1.0080 0
+ 9089 WT1 5302 TIP3 H2 HT 0.417000 1.0080 0
+ 9090 WT1 5303 TIP3 OH2 OT -0.834000 15.9994 0
+ 9091 WT1 5303 TIP3 H1 HT 0.417000 1.0080 0
+ 9092 WT1 5303 TIP3 H2 HT 0.417000 1.0080 0
+ 9093 WT1 5307 TIP3 OH2 OT -0.834000 15.9994 0
+ 9094 WT1 5307 TIP3 H1 HT 0.417000 1.0080 0
+ 9095 WT1 5307 TIP3 H2 HT 0.417000 1.0080 0
+ 9096 WT1 5315 TIP3 OH2 OT -0.834000 15.9994 0
+ 9097 WT1 5315 TIP3 H1 HT 0.417000 1.0080 0
+ 9098 WT1 5315 TIP3 H2 HT 0.417000 1.0080 0
+ 9099 WT1 5317 TIP3 OH2 OT -0.834000 15.9994 0
+ 9100 WT1 5317 TIP3 H1 HT 0.417000 1.0080 0
+ 9101 WT1 5317 TIP3 H2 HT 0.417000 1.0080 0
+ 9102 WT1 5318 TIP3 OH2 OT -0.834000 15.9994 0
+ 9103 WT1 5318 TIP3 H1 HT 0.417000 1.0080 0
+ 9104 WT1 5318 TIP3 H2 HT 0.417000 1.0080 0
+ 9105 WT1 5319 TIP3 OH2 OT -0.834000 15.9994 0
+ 9106 WT1 5319 TIP3 H1 HT 0.417000 1.0080 0
+ 9107 WT1 5319 TIP3 H2 HT 0.417000 1.0080 0
+ 9108 WT1 5320 TIP3 OH2 OT -0.834000 15.9994 0
+ 9109 WT1 5320 TIP3 H1 HT 0.417000 1.0080 0
+ 9110 WT1 5320 TIP3 H2 HT 0.417000 1.0080 0
+ 9111 WT1 5321 TIP3 OH2 OT -0.834000 15.9994 0
+ 9112 WT1 5321 TIP3 H1 HT 0.417000 1.0080 0
+ 9113 WT1 5321 TIP3 H2 HT 0.417000 1.0080 0
+ 9114 WT1 5323 TIP3 OH2 OT -0.834000 15.9994 0
+ 9115 WT1 5323 TIP3 H1 HT 0.417000 1.0080 0
+ 9116 WT1 5323 TIP3 H2 HT 0.417000 1.0080 0
+ 9117 WT1 5324 TIP3 OH2 OT -0.834000 15.9994 0
+ 9118 WT1 5324 TIP3 H1 HT 0.417000 1.0080 0
+ 9119 WT1 5324 TIP3 H2 HT 0.417000 1.0080 0
+ 9120 WT1 5325 TIP3 OH2 OT -0.834000 15.9994 0
+ 9121 WT1 5325 TIP3 H1 HT 0.417000 1.0080 0
+ 9122 WT1 5325 TIP3 H2 HT 0.417000 1.0080 0
+ 9123 WT1 5326 TIP3 OH2 OT -0.834000 15.9994 0
+ 9124 WT1 5326 TIP3 H1 HT 0.417000 1.0080 0
+ 9125 WT1 5326 TIP3 H2 HT 0.417000 1.0080 0
+ 9126 WT1 5327 TIP3 OH2 OT -0.834000 15.9994 0
+ 9127 WT1 5327 TIP3 H1 HT 0.417000 1.0080 0
+ 9128 WT1 5327 TIP3 H2 HT 0.417000 1.0080 0
+ 9129 WT1 5329 TIP3 OH2 OT -0.834000 15.9994 0
+ 9130 WT1 5329 TIP3 H1 HT 0.417000 1.0080 0
+ 9131 WT1 5329 TIP3 H2 HT 0.417000 1.0080 0
+ 9132 WT1 5330 TIP3 OH2 OT -0.834000 15.9994 0
+ 9133 WT1 5330 TIP3 H1 HT 0.417000 1.0080 0
+ 9134 WT1 5330 TIP3 H2 HT 0.417000 1.0080 0
+ 9135 WT1 5335 TIP3 OH2 OT -0.834000 15.9994 0
+ 9136 WT1 5335 TIP3 H1 HT 0.417000 1.0080 0
+ 9137 WT1 5335 TIP3 H2 HT 0.417000 1.0080 0
+ 9138 WT1 5336 TIP3 OH2 OT -0.834000 15.9994 0
+ 9139 WT1 5336 TIP3 H1 HT 0.417000 1.0080 0
+ 9140 WT1 5336 TIP3 H2 HT 0.417000 1.0080 0
+ 9141 WT1 5337 TIP3 OH2 OT -0.834000 15.9994 0
+ 9142 WT1 5337 TIP3 H1 HT 0.417000 1.0080 0
+ 9143 WT1 5337 TIP3 H2 HT 0.417000 1.0080 0
+ 9144 WT1 5339 TIP3 OH2 OT -0.834000 15.9994 0
+ 9145 WT1 5339 TIP3 H1 HT 0.417000 1.0080 0
+ 9146 WT1 5339 TIP3 H2 HT 0.417000 1.0080 0
+ 9147 WT1 5340 TIP3 OH2 OT -0.834000 15.9994 0
+ 9148 WT1 5340 TIP3 H1 HT 0.417000 1.0080 0
+ 9149 WT1 5340 TIP3 H2 HT 0.417000 1.0080 0
+ 9150 WT1 5341 TIP3 OH2 OT -0.834000 15.9994 0
+ 9151 WT1 5341 TIP3 H1 HT 0.417000 1.0080 0
+ 9152 WT1 5341 TIP3 H2 HT 0.417000 1.0080 0
+ 9153 WT1 5342 TIP3 OH2 OT -0.834000 15.9994 0
+ 9154 WT1 5342 TIP3 H1 HT 0.417000 1.0080 0
+ 9155 WT1 5342 TIP3 H2 HT 0.417000 1.0080 0
+ 9156 WT1 5343 TIP3 OH2 OT -0.834000 15.9994 0
+ 9157 WT1 5343 TIP3 H1 HT 0.417000 1.0080 0
+ 9158 WT1 5343 TIP3 H2 HT 0.417000 1.0080 0
+ 9159 WT1 5344 TIP3 OH2 OT -0.834000 15.9994 0
+ 9160 WT1 5344 TIP3 H1 HT 0.417000 1.0080 0
+ 9161 WT1 5344 TIP3 H2 HT 0.417000 1.0080 0
+ 9162 WT1 5347 TIP3 OH2 OT -0.834000 15.9994 0
+ 9163 WT1 5347 TIP3 H1 HT 0.417000 1.0080 0
+ 9164 WT1 5347 TIP3 H2 HT 0.417000 1.0080 0
+ 9165 WT1 5348 TIP3 OH2 OT -0.834000 15.9994 0
+ 9166 WT1 5348 TIP3 H1 HT 0.417000 1.0080 0
+ 9167 WT1 5348 TIP3 H2 HT 0.417000 1.0080 0
+ 9168 WT1 5349 TIP3 OH2 OT -0.834000 15.9994 0
+ 9169 WT1 5349 TIP3 H1 HT 0.417000 1.0080 0
+ 9170 WT1 5349 TIP3 H2 HT 0.417000 1.0080 0
+ 9171 WT1 5355 TIP3 OH2 OT -0.834000 15.9994 0
+ 9172 WT1 5355 TIP3 H1 HT 0.417000 1.0080 0
+ 9173 WT1 5355 TIP3 H2 HT 0.417000 1.0080 0
+ 9174 WT1 5358 TIP3 OH2 OT -0.834000 15.9994 0
+ 9175 WT1 5358 TIP3 H1 HT 0.417000 1.0080 0
+ 9176 WT1 5358 TIP3 H2 HT 0.417000 1.0080 0
+ 9177 WT1 5360 TIP3 OH2 OT -0.834000 15.9994 0
+ 9178 WT1 5360 TIP3 H1 HT 0.417000 1.0080 0
+ 9179 WT1 5360 TIP3 H2 HT 0.417000 1.0080 0
+ 9180 WT1 5361 TIP3 OH2 OT -0.834000 15.9994 0
+ 9181 WT1 5361 TIP3 H1 HT 0.417000 1.0080 0
+ 9182 WT1 5361 TIP3 H2 HT 0.417000 1.0080 0
+ 9183 WT1 5364 TIP3 OH2 OT -0.834000 15.9994 0
+ 9184 WT1 5364 TIP3 H1 HT 0.417000 1.0080 0
+ 9185 WT1 5364 TIP3 H2 HT 0.417000 1.0080 0
+ 9186 WT1 5365 TIP3 OH2 OT -0.834000 15.9994 0
+ 9187 WT1 5365 TIP3 H1 HT 0.417000 1.0080 0
+ 9188 WT1 5365 TIP3 H2 HT 0.417000 1.0080 0
+ 9189 WT1 5366 TIP3 OH2 OT -0.834000 15.9994 0
+ 9190 WT1 5366 TIP3 H1 HT 0.417000 1.0080 0
+ 9191 WT1 5366 TIP3 H2 HT 0.417000 1.0080 0
+ 9192 WT1 5367 TIP3 OH2 OT -0.834000 15.9994 0
+ 9193 WT1 5367 TIP3 H1 HT 0.417000 1.0080 0
+ 9194 WT1 5367 TIP3 H2 HT 0.417000 1.0080 0
+ 9195 WT1 5368 TIP3 OH2 OT -0.834000 15.9994 0
+ 9196 WT1 5368 TIP3 H1 HT 0.417000 1.0080 0
+ 9197 WT1 5368 TIP3 H2 HT 0.417000 1.0080 0
+ 9198 WT1 5369 TIP3 OH2 OT -0.834000 15.9994 0
+ 9199 WT1 5369 TIP3 H1 HT 0.417000 1.0080 0
+ 9200 WT1 5369 TIP3 H2 HT 0.417000 1.0080 0
+ 9201 WT1 5370 TIP3 OH2 OT -0.834000 15.9994 0
+ 9202 WT1 5370 TIP3 H1 HT 0.417000 1.0080 0
+ 9203 WT1 5370 TIP3 H2 HT 0.417000 1.0080 0
+ 9204 WT1 5371 TIP3 OH2 OT -0.834000 15.9994 0
+ 9205 WT1 5371 TIP3 H1 HT 0.417000 1.0080 0
+ 9206 WT1 5371 TIP3 H2 HT 0.417000 1.0080 0
+ 9207 WT1 5375 TIP3 OH2 OT -0.834000 15.9994 0
+ 9208 WT1 5375 TIP3 H1 HT 0.417000 1.0080 0
+ 9209 WT1 5375 TIP3 H2 HT 0.417000 1.0080 0
+ 9210 WT1 5377 TIP3 OH2 OT -0.834000 15.9994 0
+ 9211 WT1 5377 TIP3 H1 HT 0.417000 1.0080 0
+ 9212 WT1 5377 TIP3 H2 HT 0.417000 1.0080 0
+ 9213 WT1 5378 TIP3 OH2 OT -0.834000 15.9994 0
+ 9214 WT1 5378 TIP3 H1 HT 0.417000 1.0080 0
+ 9215 WT1 5378 TIP3 H2 HT 0.417000 1.0080 0
+ 9216 WT1 5380 TIP3 OH2 OT -0.834000 15.9994 0
+ 9217 WT1 5380 TIP3 H1 HT 0.417000 1.0080 0
+ 9218 WT1 5380 TIP3 H2 HT 0.417000 1.0080 0
+ 9219 WT1 5381 TIP3 OH2 OT -0.834000 15.9994 0
+ 9220 WT1 5381 TIP3 H1 HT 0.417000 1.0080 0
+ 9221 WT1 5381 TIP3 H2 HT 0.417000 1.0080 0
+ 9222 WT1 5382 TIP3 OH2 OT -0.834000 15.9994 0
+ 9223 WT1 5382 TIP3 H1 HT 0.417000 1.0080 0
+ 9224 WT1 5382 TIP3 H2 HT 0.417000 1.0080 0
+ 9225 WT1 5383 TIP3 OH2 OT -0.834000 15.9994 0
+ 9226 WT1 5383 TIP3 H1 HT 0.417000 1.0080 0
+ 9227 WT1 5383 TIP3 H2 HT 0.417000 1.0080 0
+ 9228 WT1 5384 TIP3 OH2 OT -0.834000 15.9994 0
+ 9229 WT1 5384 TIP3 H1 HT 0.417000 1.0080 0
+ 9230 WT1 5384 TIP3 H2 HT 0.417000 1.0080 0
+ 9231 WT1 5385 TIP3 OH2 OT -0.834000 15.9994 0
+ 9232 WT1 5385 TIP3 H1 HT 0.417000 1.0080 0
+ 9233 WT1 5385 TIP3 H2 HT 0.417000 1.0080 0
+ 9234 WT1 5389 TIP3 OH2 OT -0.834000 15.9994 0
+ 9235 WT1 5389 TIP3 H1 HT 0.417000 1.0080 0
+ 9236 WT1 5389 TIP3 H2 HT 0.417000 1.0080 0
+ 9237 WT1 5392 TIP3 OH2 OT -0.834000 15.9994 0
+ 9238 WT1 5392 TIP3 H1 HT 0.417000 1.0080 0
+ 9239 WT1 5392 TIP3 H2 HT 0.417000 1.0080 0
+ 9240 WT1 5393 TIP3 OH2 OT -0.834000 15.9994 0
+ 9241 WT1 5393 TIP3 H1 HT 0.417000 1.0080 0
+ 9242 WT1 5393 TIP3 H2 HT 0.417000 1.0080 0
+ 9243 WT1 5396 TIP3 OH2 OT -0.834000 15.9994 0
+ 9244 WT1 5396 TIP3 H1 HT 0.417000 1.0080 0
+ 9245 WT1 5396 TIP3 H2 HT 0.417000 1.0080 0
+ 9246 WT1 5400 TIP3 OH2 OT -0.834000 15.9994 0
+ 9247 WT1 5400 TIP3 H1 HT 0.417000 1.0080 0
+ 9248 WT1 5400 TIP3 H2 HT 0.417000 1.0080 0
+ 9249 WT1 5401 TIP3 OH2 OT -0.834000 15.9994 0
+ 9250 WT1 5401 TIP3 H1 HT 0.417000 1.0080 0
+ 9251 WT1 5401 TIP3 H2 HT 0.417000 1.0080 0
+ 9252 WT1 5403 TIP3 OH2 OT -0.834000 15.9994 0
+ 9253 WT1 5403 TIP3 H1 HT 0.417000 1.0080 0
+ 9254 WT1 5403 TIP3 H2 HT 0.417000 1.0080 0
+ 9255 WT1 5404 TIP3 OH2 OT -0.834000 15.9994 0
+ 9256 WT1 5404 TIP3 H1 HT 0.417000 1.0080 0
+ 9257 WT1 5404 TIP3 H2 HT 0.417000 1.0080 0
+ 9258 WT1 5406 TIP3 OH2 OT -0.834000 15.9994 0
+ 9259 WT1 5406 TIP3 H1 HT 0.417000 1.0080 0
+ 9260 WT1 5406 TIP3 H2 HT 0.417000 1.0080 0
+ 9261 WT1 5408 TIP3 OH2 OT -0.834000 15.9994 0
+ 9262 WT1 5408 TIP3 H1 HT 0.417000 1.0080 0
+ 9263 WT1 5408 TIP3 H2 HT 0.417000 1.0080 0
+ 9264 WT1 5409 TIP3 OH2 OT -0.834000 15.9994 0
+ 9265 WT1 5409 TIP3 H1 HT 0.417000 1.0080 0
+ 9266 WT1 5409 TIP3 H2 HT 0.417000 1.0080 0
+ 9267 WT1 5410 TIP3 OH2 OT -0.834000 15.9994 0
+ 9268 WT1 5410 TIP3 H1 HT 0.417000 1.0080 0
+ 9269 WT1 5410 TIP3 H2 HT 0.417000 1.0080 0
+ 9270 WT1 5411 TIP3 OH2 OT -0.834000 15.9994 0
+ 9271 WT1 5411 TIP3 H1 HT 0.417000 1.0080 0
+ 9272 WT1 5411 TIP3 H2 HT 0.417000 1.0080 0
+ 9273 WT1 5412 TIP3 OH2 OT -0.834000 15.9994 0
+ 9274 WT1 5412 TIP3 H1 HT 0.417000 1.0080 0
+ 9275 WT1 5412 TIP3 H2 HT 0.417000 1.0080 0
+ 9276 WT1 5418 TIP3 OH2 OT -0.834000 15.9994 0
+ 9277 WT1 5418 TIP3 H1 HT 0.417000 1.0080 0
+ 9278 WT1 5418 TIP3 H2 HT 0.417000 1.0080 0
+ 9279 WT1 5419 TIP3 OH2 OT -0.834000 15.9994 0
+ 9280 WT1 5419 TIP3 H1 HT 0.417000 1.0080 0
+ 9281 WT1 5419 TIP3 H2 HT 0.417000 1.0080 0
+ 9282 WT1 5421 TIP3 OH2 OT -0.834000 15.9994 0
+ 9283 WT1 5421 TIP3 H1 HT 0.417000 1.0080 0
+ 9284 WT1 5421 TIP3 H2 HT 0.417000 1.0080 0
+ 9285 WT1 5423 TIP3 OH2 OT -0.834000 15.9994 0
+ 9286 WT1 5423 TIP3 H1 HT 0.417000 1.0080 0
+ 9287 WT1 5423 TIP3 H2 HT 0.417000 1.0080 0
+ 9288 WT1 5424 TIP3 OH2 OT -0.834000 15.9994 0
+ 9289 WT1 5424 TIP3 H1 HT 0.417000 1.0080 0
+ 9290 WT1 5424 TIP3 H2 HT 0.417000 1.0080 0
+ 9291 WT1 5425 TIP3 OH2 OT -0.834000 15.9994 0
+ 9292 WT1 5425 TIP3 H1 HT 0.417000 1.0080 0
+ 9293 WT1 5425 TIP3 H2 HT 0.417000 1.0080 0
+ 9294 WT1 5426 TIP3 OH2 OT -0.834000 15.9994 0
+ 9295 WT1 5426 TIP3 H1 HT 0.417000 1.0080 0
+ 9296 WT1 5426 TIP3 H2 HT 0.417000 1.0080 0
+ 9297 WT1 5427 TIP3 OH2 OT -0.834000 15.9994 0
+ 9298 WT1 5427 TIP3 H1 HT 0.417000 1.0080 0
+ 9299 WT1 5427 TIP3 H2 HT 0.417000 1.0080 0
+ 9300 WT1 5428 TIP3 OH2 OT -0.834000 15.9994 0
+ 9301 WT1 5428 TIP3 H1 HT 0.417000 1.0080 0
+ 9302 WT1 5428 TIP3 H2 HT 0.417000 1.0080 0
+ 9303 WT1 5429 TIP3 OH2 OT -0.834000 15.9994 0
+ 9304 WT1 5429 TIP3 H1 HT 0.417000 1.0080 0
+ 9305 WT1 5429 TIP3 H2 HT 0.417000 1.0080 0
+ 9306 WT1 5430 TIP3 OH2 OT -0.834000 15.9994 0
+ 9307 WT1 5430 TIP3 H1 HT 0.417000 1.0080 0
+ 9308 WT1 5430 TIP3 H2 HT 0.417000 1.0080 0
+ 9309 WT1 5431 TIP3 OH2 OT -0.834000 15.9994 0
+ 9310 WT1 5431 TIP3 H1 HT 0.417000 1.0080 0
+ 9311 WT1 5431 TIP3 H2 HT 0.417000 1.0080 0
+ 9312 WT1 5433 TIP3 OH2 OT -0.834000 15.9994 0
+ 9313 WT1 5433 TIP3 H1 HT 0.417000 1.0080 0
+ 9314 WT1 5433 TIP3 H2 HT 0.417000 1.0080 0
+ 9315 WT1 5434 TIP3 OH2 OT -0.834000 15.9994 0
+ 9316 WT1 5434 TIP3 H1 HT 0.417000 1.0080 0
+ 9317 WT1 5434 TIP3 H2 HT 0.417000 1.0080 0
+ 9318 WT1 5440 TIP3 OH2 OT -0.834000 15.9994 0
+ 9319 WT1 5440 TIP3 H1 HT 0.417000 1.0080 0
+ 9320 WT1 5440 TIP3 H2 HT 0.417000 1.0080 0
+ 9321 WT1 5443 TIP3 OH2 OT -0.834000 15.9994 0
+ 9322 WT1 5443 TIP3 H1 HT 0.417000 1.0080 0
+ 9323 WT1 5443 TIP3 H2 HT 0.417000 1.0080 0
+ 9324 WT1 5444 TIP3 OH2 OT -0.834000 15.9994 0
+ 9325 WT1 5444 TIP3 H1 HT 0.417000 1.0080 0
+ 9326 WT1 5444 TIP3 H2 HT 0.417000 1.0080 0
+ 9327 WT1 5445 TIP3 OH2 OT -0.834000 15.9994 0
+ 9328 WT1 5445 TIP3 H1 HT 0.417000 1.0080 0
+ 9329 WT1 5445 TIP3 H2 HT 0.417000 1.0080 0
+ 9330 WT1 5446 TIP3 OH2 OT -0.834000 15.9994 0
+ 9331 WT1 5446 TIP3 H1 HT 0.417000 1.0080 0
+ 9332 WT1 5446 TIP3 H2 HT 0.417000 1.0080 0
+ 9333 WT1 5448 TIP3 OH2 OT -0.834000 15.9994 0
+ 9334 WT1 5448 TIP3 H1 HT 0.417000 1.0080 0
+ 9335 WT1 5448 TIP3 H2 HT 0.417000 1.0080 0
+ 9336 WT1 5451 TIP3 OH2 OT -0.834000 15.9994 0
+ 9337 WT1 5451 TIP3 H1 HT 0.417000 1.0080 0
+ 9338 WT1 5451 TIP3 H2 HT 0.417000 1.0080 0
+ 9339 WT1 5452 TIP3 OH2 OT -0.834000 15.9994 0
+ 9340 WT1 5452 TIP3 H1 HT 0.417000 1.0080 0
+ 9341 WT1 5452 TIP3 H2 HT 0.417000 1.0080 0
+ 9342 WT1 5453 TIP3 OH2 OT -0.834000 15.9994 0
+ 9343 WT1 5453 TIP3 H1 HT 0.417000 1.0080 0
+ 9344 WT1 5453 TIP3 H2 HT 0.417000 1.0080 0
+ 9345 WT1 5454 TIP3 OH2 OT -0.834000 15.9994 0
+ 9346 WT1 5454 TIP3 H1 HT 0.417000 1.0080 0
+ 9347 WT1 5454 TIP3 H2 HT 0.417000 1.0080 0
+ 9348 WT1 5455 TIP3 OH2 OT -0.834000 15.9994 0
+ 9349 WT1 5455 TIP3 H1 HT 0.417000 1.0080 0
+ 9350 WT1 5455 TIP3 H2 HT 0.417000 1.0080 0
+ 9351 WT1 5456 TIP3 OH2 OT -0.834000 15.9994 0
+ 9352 WT1 5456 TIP3 H1 HT 0.417000 1.0080 0
+ 9353 WT1 5456 TIP3 H2 HT 0.417000 1.0080 0
+ 9354 WT1 5461 TIP3 OH2 OT -0.834000 15.9994 0
+ 9355 WT1 5461 TIP3 H1 HT 0.417000 1.0080 0
+ 9356 WT1 5461 TIP3 H2 HT 0.417000 1.0080 0
+ 9357 WT1 5462 TIP3 OH2 OT -0.834000 15.9994 0
+ 9358 WT1 5462 TIP3 H1 HT 0.417000 1.0080 0
+ 9359 WT1 5462 TIP3 H2 HT 0.417000 1.0080 0
+ 9360 WT1 5463 TIP3 OH2 OT -0.834000 15.9994 0
+ 9361 WT1 5463 TIP3 H1 HT 0.417000 1.0080 0
+ 9362 WT1 5463 TIP3 H2 HT 0.417000 1.0080 0
+ 9363 WT1 5465 TIP3 OH2 OT -0.834000 15.9994 0
+ 9364 WT1 5465 TIP3 H1 HT 0.417000 1.0080 0
+ 9365 WT1 5465 TIP3 H2 HT 0.417000 1.0080 0
+ 9366 WT1 5466 TIP3 OH2 OT -0.834000 15.9994 0
+ 9367 WT1 5466 TIP3 H1 HT 0.417000 1.0080 0
+ 9368 WT1 5466 TIP3 H2 HT 0.417000 1.0080 0
+ 9369 WT1 5468 TIP3 OH2 OT -0.834000 15.9994 0
+ 9370 WT1 5468 TIP3 H1 HT 0.417000 1.0080 0
+ 9371 WT1 5468 TIP3 H2 HT 0.417000 1.0080 0
+ 9372 WT1 5470 TIP3 OH2 OT -0.834000 15.9994 0
+ 9373 WT1 5470 TIP3 H1 HT 0.417000 1.0080 0
+ 9374 WT1 5470 TIP3 H2 HT 0.417000 1.0080 0
+ 9375 WT1 5472 TIP3 OH2 OT -0.834000 15.9994 0
+ 9376 WT1 5472 TIP3 H1 HT 0.417000 1.0080 0
+ 9377 WT1 5472 TIP3 H2 HT 0.417000 1.0080 0
+ 9378 WT1 5473 TIP3 OH2 OT -0.834000 15.9994 0
+ 9379 WT1 5473 TIP3 H1 HT 0.417000 1.0080 0
+ 9380 WT1 5473 TIP3 H2 HT 0.417000 1.0080 0
+ 9381 WT1 5484 TIP3 OH2 OT -0.834000 15.9994 0
+ 9382 WT1 5484 TIP3 H1 HT 0.417000 1.0080 0
+ 9383 WT1 5484 TIP3 H2 HT 0.417000 1.0080 0
+ 9384 WT1 5487 TIP3 OH2 OT -0.834000 15.9994 0
+ 9385 WT1 5487 TIP3 H1 HT 0.417000 1.0080 0
+ 9386 WT1 5487 TIP3 H2 HT 0.417000 1.0080 0
+ 9387 WT1 5488 TIP3 OH2 OT -0.834000 15.9994 0
+ 9388 WT1 5488 TIP3 H1 HT 0.417000 1.0080 0
+ 9389 WT1 5488 TIP3 H2 HT 0.417000 1.0080 0
+ 9390 WT1 5489 TIP3 OH2 OT -0.834000 15.9994 0
+ 9391 WT1 5489 TIP3 H1 HT 0.417000 1.0080 0
+ 9392 WT1 5489 TIP3 H2 HT 0.417000 1.0080 0
+ 9393 WT1 5490 TIP3 OH2 OT -0.834000 15.9994 0
+ 9394 WT1 5490 TIP3 H1 HT 0.417000 1.0080 0
+ 9395 WT1 5490 TIP3 H2 HT 0.417000 1.0080 0
+ 9396 WT1 5493 TIP3 OH2 OT -0.834000 15.9994 0
+ 9397 WT1 5493 TIP3 H1 HT 0.417000 1.0080 0
+ 9398 WT1 5493 TIP3 H2 HT 0.417000 1.0080 0
+ 9399 WT1 5497 TIP3 OH2 OT -0.834000 15.9994 0
+ 9400 WT1 5497 TIP3 H1 HT 0.417000 1.0080 0
+ 9401 WT1 5497 TIP3 H2 HT 0.417000 1.0080 0
+ 9402 WT1 5501 TIP3 OH2 OT -0.834000 15.9994 0
+ 9403 WT1 5501 TIP3 H1 HT 0.417000 1.0080 0
+ 9404 WT1 5501 TIP3 H2 HT 0.417000 1.0080 0
+ 9405 WT1 5504 TIP3 OH2 OT -0.834000 15.9994 0
+ 9406 WT1 5504 TIP3 H1 HT 0.417000 1.0080 0
+ 9407 WT1 5504 TIP3 H2 HT 0.417000 1.0080 0
+ 9408 WT1 5505 TIP3 OH2 OT -0.834000 15.9994 0
+ 9409 WT1 5505 TIP3 H1 HT 0.417000 1.0080 0
+ 9410 WT1 5505 TIP3 H2 HT 0.417000 1.0080 0
+ 9411 WT1 5507 TIP3 OH2 OT -0.834000 15.9994 0
+ 9412 WT1 5507 TIP3 H1 HT 0.417000 1.0080 0
+ 9413 WT1 5507 TIP3 H2 HT 0.417000 1.0080 0
+ 9414 WT1 5508 TIP3 OH2 OT -0.834000 15.9994 0
+ 9415 WT1 5508 TIP3 H1 HT 0.417000 1.0080 0
+ 9416 WT1 5508 TIP3 H2 HT 0.417000 1.0080 0
+ 9417 WT1 5509 TIP3 OH2 OT -0.834000 15.9994 0
+ 9418 WT1 5509 TIP3 H1 HT 0.417000 1.0080 0
+ 9419 WT1 5509 TIP3 H2 HT 0.417000 1.0080 0
+ 9420 WT1 5510 TIP3 OH2 OT -0.834000 15.9994 0
+ 9421 WT1 5510 TIP3 H1 HT 0.417000 1.0080 0
+ 9422 WT1 5510 TIP3 H2 HT 0.417000 1.0080 0
+ 9423 WT1 5511 TIP3 OH2 OT -0.834000 15.9994 0
+ 9424 WT1 5511 TIP3 H1 HT 0.417000 1.0080 0
+ 9425 WT1 5511 TIP3 H2 HT 0.417000 1.0080 0
+ 9426 WT1 5514 TIP3 OH2 OT -0.834000 15.9994 0
+ 9427 WT1 5514 TIP3 H1 HT 0.417000 1.0080 0
+ 9428 WT1 5514 TIP3 H2 HT 0.417000 1.0080 0
+ 9429 WT1 5520 TIP3 OH2 OT -0.834000 15.9994 0
+ 9430 WT1 5520 TIP3 H1 HT 0.417000 1.0080 0
+ 9431 WT1 5520 TIP3 H2 HT 0.417000 1.0080 0
+ 9432 WT1 5522 TIP3 OH2 OT -0.834000 15.9994 0
+ 9433 WT1 5522 TIP3 H1 HT 0.417000 1.0080 0
+ 9434 WT1 5522 TIP3 H2 HT 0.417000 1.0080 0
+ 9435 WT1 5528 TIP3 OH2 OT -0.834000 15.9994 0
+ 9436 WT1 5528 TIP3 H1 HT 0.417000 1.0080 0
+ 9437 WT1 5528 TIP3 H2 HT 0.417000 1.0080 0
+ 9438 WT1 5530 TIP3 OH2 OT -0.834000 15.9994 0
+ 9439 WT1 5530 TIP3 H1 HT 0.417000 1.0080 0
+ 9440 WT1 5530 TIP3 H2 HT 0.417000 1.0080 0
+ 9441 WT1 5531 TIP3 OH2 OT -0.834000 15.9994 0
+ 9442 WT1 5531 TIP3 H1 HT 0.417000 1.0080 0
+ 9443 WT1 5531 TIP3 H2 HT 0.417000 1.0080 0
+ 9444 WT1 5532 TIP3 OH2 OT -0.834000 15.9994 0
+ 9445 WT1 5532 TIP3 H1 HT 0.417000 1.0080 0
+ 9446 WT1 5532 TIP3 H2 HT 0.417000 1.0080 0
+ 9447 WT1 5535 TIP3 OH2 OT -0.834000 15.9994 0
+ 9448 WT1 5535 TIP3 H1 HT 0.417000 1.0080 0
+ 9449 WT1 5535 TIP3 H2 HT 0.417000 1.0080 0
+ 9450 WT1 5537 TIP3 OH2 OT -0.834000 15.9994 0
+ 9451 WT1 5537 TIP3 H1 HT 0.417000 1.0080 0
+ 9452 WT1 5537 TIP3 H2 HT 0.417000 1.0080 0
+ 9453 WT1 5539 TIP3 OH2 OT -0.834000 15.9994 0
+ 9454 WT1 5539 TIP3 H1 HT 0.417000 1.0080 0
+ 9455 WT1 5539 TIP3 H2 HT 0.417000 1.0080 0
+ 9456 WT1 5545 TIP3 OH2 OT -0.834000 15.9994 0
+ 9457 WT1 5545 TIP3 H1 HT 0.417000 1.0080 0
+ 9458 WT1 5545 TIP3 H2 HT 0.417000 1.0080 0
+ 9459 WT1 5548 TIP3 OH2 OT -0.834000 15.9994 0
+ 9460 WT1 5548 TIP3 H1 HT 0.417000 1.0080 0
+ 9461 WT1 5548 TIP3 H2 HT 0.417000 1.0080 0
+ 9462 WT1 5550 TIP3 OH2 OT -0.834000 15.9994 0
+ 9463 WT1 5550 TIP3 H1 HT 0.417000 1.0080 0
+ 9464 WT1 5550 TIP3 H2 HT 0.417000 1.0080 0
+ 9465 WT1 5551 TIP3 OH2 OT -0.834000 15.9994 0
+ 9466 WT1 5551 TIP3 H1 HT 0.417000 1.0080 0
+ 9467 WT1 5551 TIP3 H2 HT 0.417000 1.0080 0
+ 9468 WT1 5552 TIP3 OH2 OT -0.834000 15.9994 0
+ 9469 WT1 5552 TIP3 H1 HT 0.417000 1.0080 0
+ 9470 WT1 5552 TIP3 H2 HT 0.417000 1.0080 0
+ 9471 WT1 5553 TIP3 OH2 OT -0.834000 15.9994 0
+ 9472 WT1 5553 TIP3 H1 HT 0.417000 1.0080 0
+ 9473 WT1 5553 TIP3 H2 HT 0.417000 1.0080 0
+ 9474 WT1 5554 TIP3 OH2 OT -0.834000 15.9994 0
+ 9475 WT1 5554 TIP3 H1 HT 0.417000 1.0080 0
+ 9476 WT1 5554 TIP3 H2 HT 0.417000 1.0080 0
+ 9477 WT1 5555 TIP3 OH2 OT -0.834000 15.9994 0
+ 9478 WT1 5555 TIP3 H1 HT 0.417000 1.0080 0
+ 9479 WT1 5555 TIP3 H2 HT 0.417000 1.0080 0
+ 9480 WT1 5557 TIP3 OH2 OT -0.834000 15.9994 0
+ 9481 WT1 5557 TIP3 H1 HT 0.417000 1.0080 0
+ 9482 WT1 5557 TIP3 H2 HT 0.417000 1.0080 0
+ 9483 WT1 5558 TIP3 OH2 OT -0.834000 15.9994 0
+ 9484 WT1 5558 TIP3 H1 HT 0.417000 1.0080 0
+ 9485 WT1 5558 TIP3 H2 HT 0.417000 1.0080 0
+ 9486 WT1 5560 TIP3 OH2 OT -0.834000 15.9994 0
+ 9487 WT1 5560 TIP3 H1 HT 0.417000 1.0080 0
+ 9488 WT1 5560 TIP3 H2 HT 0.417000 1.0080 0
+ 9489 WT1 5566 TIP3 OH2 OT -0.834000 15.9994 0
+ 9490 WT1 5566 TIP3 H1 HT 0.417000 1.0080 0
+ 9491 WT1 5566 TIP3 H2 HT 0.417000 1.0080 0
+ 9492 WT1 5567 TIP3 OH2 OT -0.834000 15.9994 0
+ 9493 WT1 5567 TIP3 H1 HT 0.417000 1.0080 0
+ 9494 WT1 5567 TIP3 H2 HT 0.417000 1.0080 0
+ 9495 WT1 5568 TIP3 OH2 OT -0.834000 15.9994 0
+ 9496 WT1 5568 TIP3 H1 HT 0.417000 1.0080 0
+ 9497 WT1 5568 TIP3 H2 HT 0.417000 1.0080 0
+ 9498 WT1 5569 TIP3 OH2 OT -0.834000 15.9994 0
+ 9499 WT1 5569 TIP3 H1 HT 0.417000 1.0080 0
+ 9500 WT1 5569 TIP3 H2 HT 0.417000 1.0080 0
+ 9501 WT1 5571 TIP3 OH2 OT -0.834000 15.9994 0
+ 9502 WT1 5571 TIP3 H1 HT 0.417000 1.0080 0
+ 9503 WT1 5571 TIP3 H2 HT 0.417000 1.0080 0
+ 9504 WT1 5572 TIP3 OH2 OT -0.834000 15.9994 0
+ 9505 WT1 5572 TIP3 H1 HT 0.417000 1.0080 0
+ 9506 WT1 5572 TIP3 H2 HT 0.417000 1.0080 0
+ 9507 WT1 5574 TIP3 OH2 OT -0.834000 15.9994 0
+ 9508 WT1 5574 TIP3 H1 HT 0.417000 1.0080 0
+ 9509 WT1 5574 TIP3 H2 HT 0.417000 1.0080 0
+ 9510 WT1 5590 TIP3 OH2 OT -0.834000 15.9994 0
+ 9511 WT1 5590 TIP3 H1 HT 0.417000 1.0080 0
+ 9512 WT1 5590 TIP3 H2 HT 0.417000 1.0080 0
+ 9513 WT1 5591 TIP3 OH2 OT -0.834000 15.9994 0
+ 9514 WT1 5591 TIP3 H1 HT 0.417000 1.0080 0
+ 9515 WT1 5591 TIP3 H2 HT 0.417000 1.0080 0
+ 9516 WT1 5592 TIP3 OH2 OT -0.834000 15.9994 0
+ 9517 WT1 5592 TIP3 H1 HT 0.417000 1.0080 0
+ 9518 WT1 5592 TIP3 H2 HT 0.417000 1.0080 0
+ 9519 WT1 5593 TIP3 OH2 OT -0.834000 15.9994 0
+ 9520 WT1 5593 TIP3 H1 HT 0.417000 1.0080 0
+ 9521 WT1 5593 TIP3 H2 HT 0.417000 1.0080 0
+ 9522 WT1 5594 TIP3 OH2 OT -0.834000 15.9994 0
+ 9523 WT1 5594 TIP3 H1 HT 0.417000 1.0080 0
+ 9524 WT1 5594 TIP3 H2 HT 0.417000 1.0080 0
+ 9525 WT1 5595 TIP3 OH2 OT -0.834000 15.9994 0
+ 9526 WT1 5595 TIP3 H1 HT 0.417000 1.0080 0
+ 9527 WT1 5595 TIP3 H2 HT 0.417000 1.0080 0
+ 9528 WT1 5597 TIP3 OH2 OT -0.834000 15.9994 0
+ 9529 WT1 5597 TIP3 H1 HT 0.417000 1.0080 0
+ 9530 WT1 5597 TIP3 H2 HT 0.417000 1.0080 0
+ 9531 WT1 5600 TIP3 OH2 OT -0.834000 15.9994 0
+ 9532 WT1 5600 TIP3 H1 HT 0.417000 1.0080 0
+ 9533 WT1 5600 TIP3 H2 HT 0.417000 1.0080 0
+ 9534 WT1 5604 TIP3 OH2 OT -0.834000 15.9994 0
+ 9535 WT1 5604 TIP3 H1 HT 0.417000 1.0080 0
+ 9536 WT1 5604 TIP3 H2 HT 0.417000 1.0080 0
+ 9537 WT1 5605 TIP3 OH2 OT -0.834000 15.9994 0
+ 9538 WT1 5605 TIP3 H1 HT 0.417000 1.0080 0
+ 9539 WT1 5605 TIP3 H2 HT 0.417000 1.0080 0
+ 9540 WT1 5606 TIP3 OH2 OT -0.834000 15.9994 0
+ 9541 WT1 5606 TIP3 H1 HT 0.417000 1.0080 0
+ 9542 WT1 5606 TIP3 H2 HT 0.417000 1.0080 0
+ 9543 WT1 5607 TIP3 OH2 OT -0.834000 15.9994 0
+ 9544 WT1 5607 TIP3 H1 HT 0.417000 1.0080 0
+ 9545 WT1 5607 TIP3 H2 HT 0.417000 1.0080 0
+ 9546 WT1 5608 TIP3 OH2 OT -0.834000 15.9994 0
+ 9547 WT1 5608 TIP3 H1 HT 0.417000 1.0080 0
+ 9548 WT1 5608 TIP3 H2 HT 0.417000 1.0080 0
+ 9549 WT1 5609 TIP3 OH2 OT -0.834000 15.9994 0
+ 9550 WT1 5609 TIP3 H1 HT 0.417000 1.0080 0
+ 9551 WT1 5609 TIP3 H2 HT 0.417000 1.0080 0
+ 9552 WT1 5610 TIP3 OH2 OT -0.834000 15.9994 0
+ 9553 WT1 5610 TIP3 H1 HT 0.417000 1.0080 0
+ 9554 WT1 5610 TIP3 H2 HT 0.417000 1.0080 0
+ 9555 WT1 5611 TIP3 OH2 OT -0.834000 15.9994 0
+ 9556 WT1 5611 TIP3 H1 HT 0.417000 1.0080 0
+ 9557 WT1 5611 TIP3 H2 HT 0.417000 1.0080 0
+ 9558 WT1 5613 TIP3 OH2 OT -0.834000 15.9994 0
+ 9559 WT1 5613 TIP3 H1 HT 0.417000 1.0080 0
+ 9560 WT1 5613 TIP3 H2 HT 0.417000 1.0080 0
+ 9561 WT1 5614 TIP3 OH2 OT -0.834000 15.9994 0
+ 9562 WT1 5614 TIP3 H1 HT 0.417000 1.0080 0
+ 9563 WT1 5614 TIP3 H2 HT 0.417000 1.0080 0
+ 9564 WT1 5615 TIP3 OH2 OT -0.834000 15.9994 0
+ 9565 WT1 5615 TIP3 H1 HT 0.417000 1.0080 0
+ 9566 WT1 5615 TIP3 H2 HT 0.417000 1.0080 0
+ 9567 WT1 5616 TIP3 OH2 OT -0.834000 15.9994 0
+ 9568 WT1 5616 TIP3 H1 HT 0.417000 1.0080 0
+ 9569 WT1 5616 TIP3 H2 HT 0.417000 1.0080 0
+ 9570 WT1 5617 TIP3 OH2 OT -0.834000 15.9994 0
+ 9571 WT1 5617 TIP3 H1 HT 0.417000 1.0080 0
+ 9572 WT1 5617 TIP3 H2 HT 0.417000 1.0080 0
+ 9573 WT1 5619 TIP3 OH2 OT -0.834000 15.9994 0
+ 9574 WT1 5619 TIP3 H1 HT 0.417000 1.0080 0
+ 9575 WT1 5619 TIP3 H2 HT 0.417000 1.0080 0
+ 9576 WT1 5620 TIP3 OH2 OT -0.834000 15.9994 0
+ 9577 WT1 5620 TIP3 H1 HT 0.417000 1.0080 0
+ 9578 WT1 5620 TIP3 H2 HT 0.417000 1.0080 0
+ 9579 WT1 5621 TIP3 OH2 OT -0.834000 15.9994 0
+ 9580 WT1 5621 TIP3 H1 HT 0.417000 1.0080 0
+ 9581 WT1 5621 TIP3 H2 HT 0.417000 1.0080 0
+ 9582 WT1 5623 TIP3 OH2 OT -0.834000 15.9994 0
+ 9583 WT1 5623 TIP3 H1 HT 0.417000 1.0080 0
+ 9584 WT1 5623 TIP3 H2 HT 0.417000 1.0080 0
+ 9585 WT1 5628 TIP3 OH2 OT -0.834000 15.9994 0
+ 9586 WT1 5628 TIP3 H1 HT 0.417000 1.0080 0
+ 9587 WT1 5628 TIP3 H2 HT 0.417000 1.0080 0
+ 9588 WT1 5631 TIP3 OH2 OT -0.834000 15.9994 0
+ 9589 WT1 5631 TIP3 H1 HT 0.417000 1.0080 0
+ 9590 WT1 5631 TIP3 H2 HT 0.417000 1.0080 0
+ 9591 WT1 5633 TIP3 OH2 OT -0.834000 15.9994 0
+ 9592 WT1 5633 TIP3 H1 HT 0.417000 1.0080 0
+ 9593 WT1 5633 TIP3 H2 HT 0.417000 1.0080 0
+ 9594 WT1 5634 TIP3 OH2 OT -0.834000 15.9994 0
+ 9595 WT1 5634 TIP3 H1 HT 0.417000 1.0080 0
+ 9596 WT1 5634 TIP3 H2 HT 0.417000 1.0080 0
+ 9597 WT1 5635 TIP3 OH2 OT -0.834000 15.9994 0
+ 9598 WT1 5635 TIP3 H1 HT 0.417000 1.0080 0
+ 9599 WT1 5635 TIP3 H2 HT 0.417000 1.0080 0
+ 9600 WT1 5636 TIP3 OH2 OT -0.834000 15.9994 0
+ 9601 WT1 5636 TIP3 H1 HT 0.417000 1.0080 0
+ 9602 WT1 5636 TIP3 H2 HT 0.417000 1.0080 0
+ 9603 WT1 5638 TIP3 OH2 OT -0.834000 15.9994 0
+ 9604 WT1 5638 TIP3 H1 HT 0.417000 1.0080 0
+ 9605 WT1 5638 TIP3 H2 HT 0.417000 1.0080 0
+ 9606 WT1 5639 TIP3 OH2 OT -0.834000 15.9994 0
+ 9607 WT1 5639 TIP3 H1 HT 0.417000 1.0080 0
+ 9608 WT1 5639 TIP3 H2 HT 0.417000 1.0080 0
+ 9609 WT1 5641 TIP3 OH2 OT -0.834000 15.9994 0
+ 9610 WT1 5641 TIP3 H1 HT 0.417000 1.0080 0
+ 9611 WT1 5641 TIP3 H2 HT 0.417000 1.0080 0
+ 9612 WT1 5643 TIP3 OH2 OT -0.834000 15.9994 0
+ 9613 WT1 5643 TIP3 H1 HT 0.417000 1.0080 0
+ 9614 WT1 5643 TIP3 H2 HT 0.417000 1.0080 0
+ 9615 WT1 5647 TIP3 OH2 OT -0.834000 15.9994 0
+ 9616 WT1 5647 TIP3 H1 HT 0.417000 1.0080 0
+ 9617 WT1 5647 TIP3 H2 HT 0.417000 1.0080 0
+ 9618 WT1 5653 TIP3 OH2 OT -0.834000 15.9994 0
+ 9619 WT1 5653 TIP3 H1 HT 0.417000 1.0080 0
+ 9620 WT1 5653 TIP3 H2 HT 0.417000 1.0080 0
+ 9621 WT1 5655 TIP3 OH2 OT -0.834000 15.9994 0
+ 9622 WT1 5655 TIP3 H1 HT 0.417000 1.0080 0
+ 9623 WT1 5655 TIP3 H2 HT 0.417000 1.0080 0
+ 9624 WT1 5656 TIP3 OH2 OT -0.834000 15.9994 0
+ 9625 WT1 5656 TIP3 H1 HT 0.417000 1.0080 0
+ 9626 WT1 5656 TIP3 H2 HT 0.417000 1.0080 0
+ 9627 WT1 5659 TIP3 OH2 OT -0.834000 15.9994 0
+ 9628 WT1 5659 TIP3 H1 HT 0.417000 1.0080 0
+ 9629 WT1 5659 TIP3 H2 HT 0.417000 1.0080 0
+ 9630 WT1 5660 TIP3 OH2 OT -0.834000 15.9994 0
+ 9631 WT1 5660 TIP3 H1 HT 0.417000 1.0080 0
+ 9632 WT1 5660 TIP3 H2 HT 0.417000 1.0080 0
+ 9633 WT1 5661 TIP3 OH2 OT -0.834000 15.9994 0
+ 9634 WT1 5661 TIP3 H1 HT 0.417000 1.0080 0
+ 9635 WT1 5661 TIP3 H2 HT 0.417000 1.0080 0
+ 9636 WT1 5662 TIP3 OH2 OT -0.834000 15.9994 0
+ 9637 WT1 5662 TIP3 H1 HT 0.417000 1.0080 0
+ 9638 WT1 5662 TIP3 H2 HT 0.417000 1.0080 0
+ 9639 WT1 5663 TIP3 OH2 OT -0.834000 15.9994 0
+ 9640 WT1 5663 TIP3 H1 HT 0.417000 1.0080 0
+ 9641 WT1 5663 TIP3 H2 HT 0.417000 1.0080 0
+ 9642 WT1 5665 TIP3 OH2 OT -0.834000 15.9994 0
+ 9643 WT1 5665 TIP3 H1 HT 0.417000 1.0080 0
+ 9644 WT1 5665 TIP3 H2 HT 0.417000 1.0080 0
+ 9645 WT1 5667 TIP3 OH2 OT -0.834000 15.9994 0
+ 9646 WT1 5667 TIP3 H1 HT 0.417000 1.0080 0
+ 9647 WT1 5667 TIP3 H2 HT 0.417000 1.0080 0
+ 9648 WT1 5669 TIP3 OH2 OT -0.834000 15.9994 0
+ 9649 WT1 5669 TIP3 H1 HT 0.417000 1.0080 0
+ 9650 WT1 5669 TIP3 H2 HT 0.417000 1.0080 0
+ 9651 WT1 5673 TIP3 OH2 OT -0.834000 15.9994 0
+ 9652 WT1 5673 TIP3 H1 HT 0.417000 1.0080 0
+ 9653 WT1 5673 TIP3 H2 HT 0.417000 1.0080 0
+ 9654 WT1 5674 TIP3 OH2 OT -0.834000 15.9994 0
+ 9655 WT1 5674 TIP3 H1 HT 0.417000 1.0080 0
+ 9656 WT1 5674 TIP3 H2 HT 0.417000 1.0080 0
+ 9657 WT1 5675 TIP3 OH2 OT -0.834000 15.9994 0
+ 9658 WT1 5675 TIP3 H1 HT 0.417000 1.0080 0
+ 9659 WT1 5675 TIP3 H2 HT 0.417000 1.0080 0
+ 9660 WT1 5676 TIP3 OH2 OT -0.834000 15.9994 0
+ 9661 WT1 5676 TIP3 H1 HT 0.417000 1.0080 0
+ 9662 WT1 5676 TIP3 H2 HT 0.417000 1.0080 0
+ 9663 WT1 5678 TIP3 OH2 OT -0.834000 15.9994 0
+ 9664 WT1 5678 TIP3 H1 HT 0.417000 1.0080 0
+ 9665 WT1 5678 TIP3 H2 HT 0.417000 1.0080 0
+ 9666 WT1 5679 TIP3 OH2 OT -0.834000 15.9994 0
+ 9667 WT1 5679 TIP3 H1 HT 0.417000 1.0080 0
+ 9668 WT1 5679 TIP3 H2 HT 0.417000 1.0080 0
+ 9669 WT1 5680 TIP3 OH2 OT -0.834000 15.9994 0
+ 9670 WT1 5680 TIP3 H1 HT 0.417000 1.0080 0
+ 9671 WT1 5680 TIP3 H2 HT 0.417000 1.0080 0
+ 9672 WT1 5681 TIP3 OH2 OT -0.834000 15.9994 0
+ 9673 WT1 5681 TIP3 H1 HT 0.417000 1.0080 0
+ 9674 WT1 5681 TIP3 H2 HT 0.417000 1.0080 0
+ 9675 WT1 5682 TIP3 OH2 OT -0.834000 15.9994 0
+ 9676 WT1 5682 TIP3 H1 HT 0.417000 1.0080 0
+ 9677 WT1 5682 TIP3 H2 HT 0.417000 1.0080 0
+ 9678 WT1 5684 TIP3 OH2 OT -0.834000 15.9994 0
+ 9679 WT1 5684 TIP3 H1 HT 0.417000 1.0080 0
+ 9680 WT1 5684 TIP3 H2 HT 0.417000 1.0080 0
+ 9681 WT1 5685 TIP3 OH2 OT -0.834000 15.9994 0
+ 9682 WT1 5685 TIP3 H1 HT 0.417000 1.0080 0
+ 9683 WT1 5685 TIP3 H2 HT 0.417000 1.0080 0
+ 9684 WT1 5686 TIP3 OH2 OT -0.834000 15.9994 0
+ 9685 WT1 5686 TIP3 H1 HT 0.417000 1.0080 0
+ 9686 WT1 5686 TIP3 H2 HT 0.417000 1.0080 0
+ 9687 WT1 5687 TIP3 OH2 OT -0.834000 15.9994 0
+ 9688 WT1 5687 TIP3 H1 HT 0.417000 1.0080 0
+ 9689 WT1 5687 TIP3 H2 HT 0.417000 1.0080 0
+ 9690 WT1 5690 TIP3 OH2 OT -0.834000 15.9994 0
+ 9691 WT1 5690 TIP3 H1 HT 0.417000 1.0080 0
+ 9692 WT1 5690 TIP3 H2 HT 0.417000 1.0080 0
+ 9693 WT1 5693 TIP3 OH2 OT -0.834000 15.9994 0
+ 9694 WT1 5693 TIP3 H1 HT 0.417000 1.0080 0
+ 9695 WT1 5693 TIP3 H2 HT 0.417000 1.0080 0
+ 9696 WT1 5694 TIP3 OH2 OT -0.834000 15.9994 0
+ 9697 WT1 5694 TIP3 H1 HT 0.417000 1.0080 0
+ 9698 WT1 5694 TIP3 H2 HT 0.417000 1.0080 0
+ 9699 WT1 5695 TIP3 OH2 OT -0.834000 15.9994 0
+ 9700 WT1 5695 TIP3 H1 HT 0.417000 1.0080 0
+ 9701 WT1 5695 TIP3 H2 HT 0.417000 1.0080 0
+ 9702 WT1 5696 TIP3 OH2 OT -0.834000 15.9994 0
+ 9703 WT1 5696 TIP3 H1 HT 0.417000 1.0080 0
+ 9704 WT1 5696 TIP3 H2 HT 0.417000 1.0080 0
+ 9705 WT1 5697 TIP3 OH2 OT -0.834000 15.9994 0
+ 9706 WT1 5697 TIP3 H1 HT 0.417000 1.0080 0
+ 9707 WT1 5697 TIP3 H2 HT 0.417000 1.0080 0
+ 9708 WT1 5698 TIP3 OH2 OT -0.834000 15.9994 0
+ 9709 WT1 5698 TIP3 H1 HT 0.417000 1.0080 0
+ 9710 WT1 5698 TIP3 H2 HT 0.417000 1.0080 0
+ 9711 WT1 5700 TIP3 OH2 OT -0.834000 15.9994 0
+ 9712 WT1 5700 TIP3 H1 HT 0.417000 1.0080 0
+ 9713 WT1 5700 TIP3 H2 HT 0.417000 1.0080 0
+ 9714 WT1 5704 TIP3 OH2 OT -0.834000 15.9994 0
+ 9715 WT1 5704 TIP3 H1 HT 0.417000 1.0080 0
+ 9716 WT1 5704 TIP3 H2 HT 0.417000 1.0080 0
+ 9717 WT1 5705 TIP3 OH2 OT -0.834000 15.9994 0
+ 9718 WT1 5705 TIP3 H1 HT 0.417000 1.0080 0
+ 9719 WT1 5705 TIP3 H2 HT 0.417000 1.0080 0
+ 9720 WT1 5707 TIP3 OH2 OT -0.834000 15.9994 0
+ 9721 WT1 5707 TIP3 H1 HT 0.417000 1.0080 0
+ 9722 WT1 5707 TIP3 H2 HT 0.417000 1.0080 0
+ 9723 WT1 5710 TIP3 OH2 OT -0.834000 15.9994 0
+ 9724 WT1 5710 TIP3 H1 HT 0.417000 1.0080 0
+ 9725 WT1 5710 TIP3 H2 HT 0.417000 1.0080 0
+ 9726 WT1 5713 TIP3 OH2 OT -0.834000 15.9994 0
+ 9727 WT1 5713 TIP3 H1 HT 0.417000 1.0080 0
+ 9728 WT1 5713 TIP3 H2 HT 0.417000 1.0080 0
+ 9729 WT1 5714 TIP3 OH2 OT -0.834000 15.9994 0
+ 9730 WT1 5714 TIP3 H1 HT 0.417000 1.0080 0
+ 9731 WT1 5714 TIP3 H2 HT 0.417000 1.0080 0
+ 9732 WT1 5716 TIP3 OH2 OT -0.834000 15.9994 0
+ 9733 WT1 5716 TIP3 H1 HT 0.417000 1.0080 0
+ 9734 WT1 5716 TIP3 H2 HT 0.417000 1.0080 0
+ 9735 WT1 5717 TIP3 OH2 OT -0.834000 15.9994 0
+ 9736 WT1 5717 TIP3 H1 HT 0.417000 1.0080 0
+ 9737 WT1 5717 TIP3 H2 HT 0.417000 1.0080 0
+ 9738 WT1 5718 TIP3 OH2 OT -0.834000 15.9994 0
+ 9739 WT1 5718 TIP3 H1 HT 0.417000 1.0080 0
+ 9740 WT1 5718 TIP3 H2 HT 0.417000 1.0080 0
+ 9741 WT1 5719 TIP3 OH2 OT -0.834000 15.9994 0
+ 9742 WT1 5719 TIP3 H1 HT 0.417000 1.0080 0
+ 9743 WT1 5719 TIP3 H2 HT 0.417000 1.0080 0
+ 9744 WT1 5720 TIP3 OH2 OT -0.834000 15.9994 0
+ 9745 WT1 5720 TIP3 H1 HT 0.417000 1.0080 0
+ 9746 WT1 5720 TIP3 H2 HT 0.417000 1.0080 0
+ 9747 WT1 5721 TIP3 OH2 OT -0.834000 15.9994 0
+ 9748 WT1 5721 TIP3 H1 HT 0.417000 1.0080 0
+ 9749 WT1 5721 TIP3 H2 HT 0.417000 1.0080 0
+ 9750 WT1 5723 TIP3 OH2 OT -0.834000 15.9994 0
+ 9751 WT1 5723 TIP3 H1 HT 0.417000 1.0080 0
+ 9752 WT1 5723 TIP3 H2 HT 0.417000 1.0080 0
+ 9753 WT1 5724 TIP3 OH2 OT -0.834000 15.9994 0
+ 9754 WT1 5724 TIP3 H1 HT 0.417000 1.0080 0
+ 9755 WT1 5724 TIP3 H2 HT 0.417000 1.0080 0
+ 9756 WT1 5725 TIP3 OH2 OT -0.834000 15.9994 0
+ 9757 WT1 5725 TIP3 H1 HT 0.417000 1.0080 0
+ 9758 WT1 5725 TIP3 H2 HT 0.417000 1.0080 0
+ 9759 WT1 5730 TIP3 OH2 OT -0.834000 15.9994 0
+ 9760 WT1 5730 TIP3 H1 HT 0.417000 1.0080 0
+ 9761 WT1 5730 TIP3 H2 HT 0.417000 1.0080 0
+ 9762 WT1 5734 TIP3 OH2 OT -0.834000 15.9994 0
+ 9763 WT1 5734 TIP3 H1 HT 0.417000 1.0080 0
+ 9764 WT1 5734 TIP3 H2 HT 0.417000 1.0080 0
+ 9765 WT1 5736 TIP3 OH2 OT -0.834000 15.9994 0
+ 9766 WT1 5736 TIP3 H1 HT 0.417000 1.0080 0
+ 9767 WT1 5736 TIP3 H2 HT 0.417000 1.0080 0
+ 9768 WT1 5740 TIP3 OH2 OT -0.834000 15.9994 0
+ 9769 WT1 5740 TIP3 H1 HT 0.417000 1.0080 0
+ 9770 WT1 5740 TIP3 H2 HT 0.417000 1.0080 0
+ 9771 WT1 5741 TIP3 OH2 OT -0.834000 15.9994 0
+ 9772 WT1 5741 TIP3 H1 HT 0.417000 1.0080 0
+ 9773 WT1 5741 TIP3 H2 HT 0.417000 1.0080 0
+ 9774 WT1 5743 TIP3 OH2 OT -0.834000 15.9994 0
+ 9775 WT1 5743 TIP3 H1 HT 0.417000 1.0080 0
+ 9776 WT1 5743 TIP3 H2 HT 0.417000 1.0080 0
+ 9777 WT1 5745 TIP3 OH2 OT -0.834000 15.9994 0
+ 9778 WT1 5745 TIP3 H1 HT 0.417000 1.0080 0
+ 9779 WT1 5745 TIP3 H2 HT 0.417000 1.0080 0
+ 9780 WT1 5747 TIP3 OH2 OT -0.834000 15.9994 0
+ 9781 WT1 5747 TIP3 H1 HT 0.417000 1.0080 0
+ 9782 WT1 5747 TIP3 H2 HT 0.417000 1.0080 0
+ 9783 WT1 5748 TIP3 OH2 OT -0.834000 15.9994 0
+ 9784 WT1 5748 TIP3 H1 HT 0.417000 1.0080 0
+ 9785 WT1 5748 TIP3 H2 HT 0.417000 1.0080 0
+ 9786 WT1 5755 TIP3 OH2 OT -0.834000 15.9994 0
+ 9787 WT1 5755 TIP3 H1 HT 0.417000 1.0080 0
+ 9788 WT1 5755 TIP3 H2 HT 0.417000 1.0080 0
+ 9789 WT1 5756 TIP3 OH2 OT -0.834000 15.9994 0
+ 9790 WT1 5756 TIP3 H1 HT 0.417000 1.0080 0
+ 9791 WT1 5756 TIP3 H2 HT 0.417000 1.0080 0
+ 9792 WT1 5758 TIP3 OH2 OT -0.834000 15.9994 0
+ 9793 WT1 5758 TIP3 H1 HT 0.417000 1.0080 0
+ 9794 WT1 5758 TIP3 H2 HT 0.417000 1.0080 0
+ 9795 WT1 5759 TIP3 OH2 OT -0.834000 15.9994 0
+ 9796 WT1 5759 TIP3 H1 HT 0.417000 1.0080 0
+ 9797 WT1 5759 TIP3 H2 HT 0.417000 1.0080 0
+ 9798 WT1 5760 TIP3 OH2 OT -0.834000 15.9994 0
+ 9799 WT1 5760 TIP3 H1 HT 0.417000 1.0080 0
+ 9800 WT1 5760 TIP3 H2 HT 0.417000 1.0080 0
+ 9801 WT1 5761 TIP3 OH2 OT -0.834000 15.9994 0
+ 9802 WT1 5761 TIP3 H1 HT 0.417000 1.0080 0
+ 9803 WT1 5761 TIP3 H2 HT 0.417000 1.0080 0
+ 9804 WT1 5762 TIP3 OH2 OT -0.834000 15.9994 0
+ 9805 WT1 5762 TIP3 H1 HT 0.417000 1.0080 0
+ 9806 WT1 5762 TIP3 H2 HT 0.417000 1.0080 0
+ 9807 WT1 5765 TIP3 OH2 OT -0.834000 15.9994 0
+ 9808 WT1 5765 TIP3 H1 HT 0.417000 1.0080 0
+ 9809 WT1 5765 TIP3 H2 HT 0.417000 1.0080 0
+ 9810 WT1 5767 TIP3 OH2 OT -0.834000 15.9994 0
+ 9811 WT1 5767 TIP3 H1 HT 0.417000 1.0080 0
+ 9812 WT1 5767 TIP3 H2 HT 0.417000 1.0080 0
+ 9813 WT1 5768 TIP3 OH2 OT -0.834000 15.9994 0
+ 9814 WT1 5768 TIP3 H1 HT 0.417000 1.0080 0
+ 9815 WT1 5768 TIP3 H2 HT 0.417000 1.0080 0
+ 9816 WT1 5770 TIP3 OH2 OT -0.834000 15.9994 0
+ 9817 WT1 5770 TIP3 H1 HT 0.417000 1.0080 0
+ 9818 WT1 5770 TIP3 H2 HT 0.417000 1.0080 0
+ 9819 WT1 5777 TIP3 OH2 OT -0.834000 15.9994 0
+ 9820 WT1 5777 TIP3 H1 HT 0.417000 1.0080 0
+ 9821 WT1 5777 TIP3 H2 HT 0.417000 1.0080 0
+ 9822 WT1 5780 TIP3 OH2 OT -0.834000 15.9994 0
+ 9823 WT1 5780 TIP3 H1 HT 0.417000 1.0080 0
+ 9824 WT1 5780 TIP3 H2 HT 0.417000 1.0080 0
+ 9825 WT1 5783 TIP3 OH2 OT -0.834000 15.9994 0
+ 9826 WT1 5783 TIP3 H1 HT 0.417000 1.0080 0
+ 9827 WT1 5783 TIP3 H2 HT 0.417000 1.0080 0
+ 9828 WT1 5784 TIP3 OH2 OT -0.834000 15.9994 0
+ 9829 WT1 5784 TIP3 H1 HT 0.417000 1.0080 0
+ 9830 WT1 5784 TIP3 H2 HT 0.417000 1.0080 0
+ 9831 WT1 5785 TIP3 OH2 OT -0.834000 15.9994 0
+ 9832 WT1 5785 TIP3 H1 HT 0.417000 1.0080 0
+ 9833 WT1 5785 TIP3 H2 HT 0.417000 1.0080 0
+ 9834 WT1 5786 TIP3 OH2 OT -0.834000 15.9994 0
+ 9835 WT1 5786 TIP3 H1 HT 0.417000 1.0080 0
+ 9836 WT1 5786 TIP3 H2 HT 0.417000 1.0080 0
+ 9837 WT1 5787 TIP3 OH2 OT -0.834000 15.9994 0
+ 9838 WT1 5787 TIP3 H1 HT 0.417000 1.0080 0
+ 9839 WT1 5787 TIP3 H2 HT 0.417000 1.0080 0
+ 9840 WT1 5788 TIP3 OH2 OT -0.834000 15.9994 0
+ 9841 WT1 5788 TIP3 H1 HT 0.417000 1.0080 0
+ 9842 WT1 5788 TIP3 H2 HT 0.417000 1.0080 0
+ 9843 WT1 5791 TIP3 OH2 OT -0.834000 15.9994 0
+ 9844 WT1 5791 TIP3 H1 HT 0.417000 1.0080 0
+ 9845 WT1 5791 TIP3 H2 HT 0.417000 1.0080 0
+ 9846 WT1 5795 TIP3 OH2 OT -0.834000 15.9994 0
+ 9847 WT1 5795 TIP3 H1 HT 0.417000 1.0080 0
+ 9848 WT1 5795 TIP3 H2 HT 0.417000 1.0080 0
+ 9849 WT1 5797 TIP3 OH2 OT -0.834000 15.9994 0
+ 9850 WT1 5797 TIP3 H1 HT 0.417000 1.0080 0
+ 9851 WT1 5797 TIP3 H2 HT 0.417000 1.0080 0
+ 9852 WT1 5799 TIP3 OH2 OT -0.834000 15.9994 0
+ 9853 WT1 5799 TIP3 H1 HT 0.417000 1.0080 0
+ 9854 WT1 5799 TIP3 H2 HT 0.417000 1.0080 0
+ 9855 WT1 5803 TIP3 OH2 OT -0.834000 15.9994 0
+ 9856 WT1 5803 TIP3 H1 HT 0.417000 1.0080 0
+ 9857 WT1 5803 TIP3 H2 HT 0.417000 1.0080 0
+ 9858 WT1 5804 TIP3 OH2 OT -0.834000 15.9994 0
+ 9859 WT1 5804 TIP3 H1 HT 0.417000 1.0080 0
+ 9860 WT1 5804 TIP3 H2 HT 0.417000 1.0080 0
+ 9861 WT1 5805 TIP3 OH2 OT -0.834000 15.9994 0
+ 9862 WT1 5805 TIP3 H1 HT 0.417000 1.0080 0
+ 9863 WT1 5805 TIP3 H2 HT 0.417000 1.0080 0
+ 9864 WT1 5806 TIP3 OH2 OT -0.834000 15.9994 0
+ 9865 WT1 5806 TIP3 H1 HT 0.417000 1.0080 0
+ 9866 WT1 5806 TIP3 H2 HT 0.417000 1.0080 0
+ 9867 WT1 5807 TIP3 OH2 OT -0.834000 15.9994 0
+ 9868 WT1 5807 TIP3 H1 HT 0.417000 1.0080 0
+ 9869 WT1 5807 TIP3 H2 HT 0.417000 1.0080 0
+ 9870 WT1 5808 TIP3 OH2 OT -0.834000 15.9994 0
+ 9871 WT1 5808 TIP3 H1 HT 0.417000 1.0080 0
+ 9872 WT1 5808 TIP3 H2 HT 0.417000 1.0080 0
+ 9873 WT1 5812 TIP3 OH2 OT -0.834000 15.9994 0
+ 9874 WT1 5812 TIP3 H1 HT 0.417000 1.0080 0
+ 9875 WT1 5812 TIP3 H2 HT 0.417000 1.0080 0
+ 9876 WT1 5818 TIP3 OH2 OT -0.834000 15.9994 0
+ 9877 WT1 5818 TIP3 H1 HT 0.417000 1.0080 0
+ 9878 WT1 5818 TIP3 H2 HT 0.417000 1.0080 0
+ 9879 WT1 5820 TIP3 OH2 OT -0.834000 15.9994 0
+ 9880 WT1 5820 TIP3 H1 HT 0.417000 1.0080 0
+ 9881 WT1 5820 TIP3 H2 HT 0.417000 1.0080 0
+ 9882 WT1 5821 TIP3 OH2 OT -0.834000 15.9994 0
+ 9883 WT1 5821 TIP3 H1 HT 0.417000 1.0080 0
+ 9884 WT1 5821 TIP3 H2 HT 0.417000 1.0080 0
+ 9885 WT1 5823 TIP3 OH2 OT -0.834000 15.9994 0
+ 9886 WT1 5823 TIP3 H1 HT 0.417000 1.0080 0
+ 9887 WT1 5823 TIP3 H2 HT 0.417000 1.0080 0
+ 9888 WT1 5824 TIP3 OH2 OT -0.834000 15.9994 0
+ 9889 WT1 5824 TIP3 H1 HT 0.417000 1.0080 0
+ 9890 WT1 5824 TIP3 H2 HT 0.417000 1.0080 0
+ 9891 WT1 5825 TIP3 OH2 OT -0.834000 15.9994 0
+ 9892 WT1 5825 TIP3 H1 HT 0.417000 1.0080 0
+ 9893 WT1 5825 TIP3 H2 HT 0.417000 1.0080 0
+ 9894 WT1 5826 TIP3 OH2 OT -0.834000 15.9994 0
+ 9895 WT1 5826 TIP3 H1 HT 0.417000 1.0080 0
+ 9896 WT1 5826 TIP3 H2 HT 0.417000 1.0080 0
+ 9897 WT1 5829 TIP3 OH2 OT -0.834000 15.9994 0
+ 9898 WT1 5829 TIP3 H1 HT 0.417000 1.0080 0
+ 9899 WT1 5829 TIP3 H2 HT 0.417000 1.0080 0
+ 9900 WT1 5832 TIP3 OH2 OT -0.834000 15.9994 0
+ 9901 WT1 5832 TIP3 H1 HT 0.417000 1.0080 0
+ 9902 WT1 5832 TIP3 H2 HT 0.417000 1.0080 0
+ 9903 WT1 5834 TIP3 OH2 OT -0.834000 15.9994 0
+ 9904 WT1 5834 TIP3 H1 HT 0.417000 1.0080 0
+ 9905 WT1 5834 TIP3 H2 HT 0.417000 1.0080 0
+ 9906 WT1 5835 TIP3 OH2 OT -0.834000 15.9994 0
+ 9907 WT1 5835 TIP3 H1 HT 0.417000 1.0080 0
+ 9908 WT1 5835 TIP3 H2 HT 0.417000 1.0080 0
+ 9909 WT1 5839 TIP3 OH2 OT -0.834000 15.9994 0
+ 9910 WT1 5839 TIP3 H1 HT 0.417000 1.0080 0
+ 9911 WT1 5839 TIP3 H2 HT 0.417000 1.0080 0
+ 9912 WT1 5840 TIP3 OH2 OT -0.834000 15.9994 0
+ 9913 WT1 5840 TIP3 H1 HT 0.417000 1.0080 0
+ 9914 WT1 5840 TIP3 H2 HT 0.417000 1.0080 0
+ 9915 WT1 5841 TIP3 OH2 OT -0.834000 15.9994 0
+ 9916 WT1 5841 TIP3 H1 HT 0.417000 1.0080 0
+ 9917 WT1 5841 TIP3 H2 HT 0.417000 1.0080 0
+ 9918 WT1 5842 TIP3 OH2 OT -0.834000 15.9994 0
+ 9919 WT1 5842 TIP3 H1 HT 0.417000 1.0080 0
+ 9920 WT1 5842 TIP3 H2 HT 0.417000 1.0080 0
+ 9921 WT1 5844 TIP3 OH2 OT -0.834000 15.9994 0
+ 9922 WT1 5844 TIP3 H1 HT 0.417000 1.0080 0
+ 9923 WT1 5844 TIP3 H2 HT 0.417000 1.0080 0
+ 9924 WT1 5845 TIP3 OH2 OT -0.834000 15.9994 0
+ 9925 WT1 5845 TIP3 H1 HT 0.417000 1.0080 0
+ 9926 WT1 5845 TIP3 H2 HT 0.417000 1.0080 0
+ 9927 WT1 5846 TIP3 OH2 OT -0.834000 15.9994 0
+ 9928 WT1 5846 TIP3 H1 HT 0.417000 1.0080 0
+ 9929 WT1 5846 TIP3 H2 HT 0.417000 1.0080 0
+ 9930 WT1 5847 TIP3 OH2 OT -0.834000 15.9994 0
+ 9931 WT1 5847 TIP3 H1 HT 0.417000 1.0080 0
+ 9932 WT1 5847 TIP3 H2 HT 0.417000 1.0080 0
+ 9933 WT1 5849 TIP3 OH2 OT -0.834000 15.9994 0
+ 9934 WT1 5849 TIP3 H1 HT 0.417000 1.0080 0
+ 9935 WT1 5849 TIP3 H2 HT 0.417000 1.0080 0
+ 9936 WT1 5860 TIP3 OH2 OT -0.834000 15.9994 0
+ 9937 WT1 5860 TIP3 H1 HT 0.417000 1.0080 0
+ 9938 WT1 5860 TIP3 H2 HT 0.417000 1.0080 0
+ 9939 WT1 5861 TIP3 OH2 OT -0.834000 15.9994 0
+ 9940 WT1 5861 TIP3 H1 HT 0.417000 1.0080 0
+ 9941 WT1 5861 TIP3 H2 HT 0.417000 1.0080 0
+ 9942 WT1 5862 TIP3 OH2 OT -0.834000 15.9994 0
+ 9943 WT1 5862 TIP3 H1 HT 0.417000 1.0080 0
+ 9944 WT1 5862 TIP3 H2 HT 0.417000 1.0080 0
+ 9945 WT1 5864 TIP3 OH2 OT -0.834000 15.9994 0
+ 9946 WT1 5864 TIP3 H1 HT 0.417000 1.0080 0
+ 9947 WT1 5864 TIP3 H2 HT 0.417000 1.0080 0
+ 9948 WT1 5865 TIP3 OH2 OT -0.834000 15.9994 0
+ 9949 WT1 5865 TIP3 H1 HT 0.417000 1.0080 0
+ 9950 WT1 5865 TIP3 H2 HT 0.417000 1.0080 0
+ 9951 WT1 5867 TIP3 OH2 OT -0.834000 15.9994 0
+ 9952 WT1 5867 TIP3 H1 HT 0.417000 1.0080 0
+ 9953 WT1 5867 TIP3 H2 HT 0.417000 1.0080 0
+ 9954 WT1 5868 TIP3 OH2 OT -0.834000 15.9994 0
+ 9955 WT1 5868 TIP3 H1 HT 0.417000 1.0080 0
+ 9956 WT1 5868 TIP3 H2 HT 0.417000 1.0080 0
+ 9957 WT1 5869 TIP3 OH2 OT -0.834000 15.9994 0
+ 9958 WT1 5869 TIP3 H1 HT 0.417000 1.0080 0
+ 9959 WT1 5869 TIP3 H2 HT 0.417000 1.0080 0
+ 9960 WT1 5870 TIP3 OH2 OT -0.834000 15.9994 0
+ 9961 WT1 5870 TIP3 H1 HT 0.417000 1.0080 0
+ 9962 WT1 5870 TIP3 H2 HT 0.417000 1.0080 0
+ 9963 WT1 5873 TIP3 OH2 OT -0.834000 15.9994 0
+ 9964 WT1 5873 TIP3 H1 HT 0.417000 1.0080 0
+ 9965 WT1 5873 TIP3 H2 HT 0.417000 1.0080 0
+ 9966 WT1 5881 TIP3 OH2 OT -0.834000 15.9994 0
+ 9967 WT1 5881 TIP3 H1 HT 0.417000 1.0080 0
+ 9968 WT1 5881 TIP3 H2 HT 0.417000 1.0080 0
+ 9969 WT1 5884 TIP3 OH2 OT -0.834000 15.9994 0
+ 9970 WT1 5884 TIP3 H1 HT 0.417000 1.0080 0
+ 9971 WT1 5884 TIP3 H2 HT 0.417000 1.0080 0
+ 9972 WT1 5887 TIP3 OH2 OT -0.834000 15.9994 0
+ 9973 WT1 5887 TIP3 H1 HT 0.417000 1.0080 0
+ 9974 WT1 5887 TIP3 H2 HT 0.417000 1.0080 0
+ 9975 WT1 5889 TIP3 OH2 OT -0.834000 15.9994 0
+ 9976 WT1 5889 TIP3 H1 HT 0.417000 1.0080 0
+ 9977 WT1 5889 TIP3 H2 HT 0.417000 1.0080 0
+ 9978 WT1 5890 TIP3 OH2 OT -0.834000 15.9994 0
+ 9979 WT1 5890 TIP3 H1 HT 0.417000 1.0080 0
+ 9980 WT1 5890 TIP3 H2 HT 0.417000 1.0080 0
+ 9981 WT1 5891 TIP3 OH2 OT -0.834000 15.9994 0
+ 9982 WT1 5891 TIP3 H1 HT 0.417000 1.0080 0
+ 9983 WT1 5891 TIP3 H2 HT 0.417000 1.0080 0
+ 9984 WT1 5897 TIP3 OH2 OT -0.834000 15.9994 0
+ 9985 WT1 5897 TIP3 H1 HT 0.417000 1.0080 0
+ 9986 WT1 5897 TIP3 H2 HT 0.417000 1.0080 0
+ 9987 WT1 5899 TIP3 OH2 OT -0.834000 15.9994 0
+ 9988 WT1 5899 TIP3 H1 HT 0.417000 1.0080 0
+ 9989 WT1 5899 TIP3 H2 HT 0.417000 1.0080 0
+ 9990 WT1 5901 TIP3 OH2 OT -0.834000 15.9994 0
+ 9991 WT1 5901 TIP3 H1 HT 0.417000 1.0080 0
+ 9992 WT1 5901 TIP3 H2 HT 0.417000 1.0080 0
+ 9993 WT1 5903 TIP3 OH2 OT -0.834000 15.9994 0
+ 9994 WT1 5903 TIP3 H1 HT 0.417000 1.0080 0
+ 9995 WT1 5903 TIP3 H2 HT 0.417000 1.0080 0
+ 9996 WT1 5904 TIP3 OH2 OT -0.834000 15.9994 0
+ 9997 WT1 5904 TIP3 H1 HT 0.417000 1.0080 0
+ 9998 WT1 5904 TIP3 H2 HT 0.417000 1.0080 0
+ 9999 WT1 5906 TIP3 OH2 OT -0.834000 15.9994 0
+ 10000 WT1 5906 TIP3 H1 HT 0.417000 1.0080 0
+ 10001 WT1 5906 TIP3 H2 HT 0.417000 1.0080 0
+ 10002 WT1 5907 TIP3 OH2 OT -0.834000 15.9994 0
+ 10003 WT1 5907 TIP3 H1 HT 0.417000 1.0080 0
+ 10004 WT1 5907 TIP3 H2 HT 0.417000 1.0080 0
+ 10005 WT1 5908 TIP3 OH2 OT -0.834000 15.9994 0
+ 10006 WT1 5908 TIP3 H1 HT 0.417000 1.0080 0
+ 10007 WT1 5908 TIP3 H2 HT 0.417000 1.0080 0
+ 10008 WT1 5909 TIP3 OH2 OT -0.834000 15.9994 0
+ 10009 WT1 5909 TIP3 H1 HT 0.417000 1.0080 0
+ 10010 WT1 5909 TIP3 H2 HT 0.417000 1.0080 0
+ 10011 WT1 5910 TIP3 OH2 OT -0.834000 15.9994 0
+ 10012 WT1 5910 TIP3 H1 HT 0.417000 1.0080 0
+ 10013 WT1 5910 TIP3 H2 HT 0.417000 1.0080 0
+ 10014 WT1 5911 TIP3 OH2 OT -0.834000 15.9994 0
+ 10015 WT1 5911 TIP3 H1 HT 0.417000 1.0080 0
+ 10016 WT1 5911 TIP3 H2 HT 0.417000 1.0080 0
+ 10017 WT1 5914 TIP3 OH2 OT -0.834000 15.9994 0
+ 10018 WT1 5914 TIP3 H1 HT 0.417000 1.0080 0
+ 10019 WT1 5914 TIP3 H2 HT 0.417000 1.0080 0
+ 10020 WT1 5919 TIP3 OH2 OT -0.834000 15.9994 0
+ 10021 WT1 5919 TIP3 H1 HT 0.417000 1.0080 0
+ 10022 WT1 5919 TIP3 H2 HT 0.417000 1.0080 0
+ 10023 WT1 5920 TIP3 OH2 OT -0.834000 15.9994 0
+ 10024 WT1 5920 TIP3 H1 HT 0.417000 1.0080 0
+ 10025 WT1 5920 TIP3 H2 HT 0.417000 1.0080 0
+ 10026 WT1 5924 TIP3 OH2 OT -0.834000 15.9994 0
+ 10027 WT1 5924 TIP3 H1 HT 0.417000 1.0080 0
+ 10028 WT1 5924 TIP3 H2 HT 0.417000 1.0080 0
+ 10029 WT1 5925 TIP3 OH2 OT -0.834000 15.9994 0
+ 10030 WT1 5925 TIP3 H1 HT 0.417000 1.0080 0
+ 10031 WT1 5925 TIP3 H2 HT 0.417000 1.0080 0
+ 10032 WT1 5926 TIP3 OH2 OT -0.834000 15.9994 0
+ 10033 WT1 5926 TIP3 H1 HT 0.417000 1.0080 0
+ 10034 WT1 5926 TIP3 H2 HT 0.417000 1.0080 0
+ 10035 WT1 5927 TIP3 OH2 OT -0.834000 15.9994 0
+ 10036 WT1 5927 TIP3 H1 HT 0.417000 1.0080 0
+ 10037 WT1 5927 TIP3 H2 HT 0.417000 1.0080 0
+ 10038 WT1 5928 TIP3 OH2 OT -0.834000 15.9994 0
+ 10039 WT1 5928 TIP3 H1 HT 0.417000 1.0080 0
+ 10040 WT1 5928 TIP3 H2 HT 0.417000 1.0080 0
+ 10041 WT1 5929 TIP3 OH2 OT -0.834000 15.9994 0
+ 10042 WT1 5929 TIP3 H1 HT 0.417000 1.0080 0
+ 10043 WT1 5929 TIP3 H2 HT 0.417000 1.0080 0
+ 10044 WT1 5930 TIP3 OH2 OT -0.834000 15.9994 0
+ 10045 WT1 5930 TIP3 H1 HT 0.417000 1.0080 0
+ 10046 WT1 5930 TIP3 H2 HT 0.417000 1.0080 0
+ 10047 WT1 5932 TIP3 OH2 OT -0.834000 15.9994 0
+ 10048 WT1 5932 TIP3 H1 HT 0.417000 1.0080 0
+ 10049 WT1 5932 TIP3 H2 HT 0.417000 1.0080 0
+ 10050 WT1 5933 TIP3 OH2 OT -0.834000 15.9994 0
+ 10051 WT1 5933 TIP3 H1 HT 0.417000 1.0080 0
+ 10052 WT1 5933 TIP3 H2 HT 0.417000 1.0080 0
+ 10053 WT1 5935 TIP3 OH2 OT -0.834000 15.9994 0
+ 10054 WT1 5935 TIP3 H1 HT 0.417000 1.0080 0
+ 10055 WT1 5935 TIP3 H2 HT 0.417000 1.0080 0
+ 10056 WT1 5941 TIP3 OH2 OT -0.834000 15.9994 0
+ 10057 WT1 5941 TIP3 H1 HT 0.417000 1.0080 0
+ 10058 WT1 5941 TIP3 H2 HT 0.417000 1.0080 0
+ 10059 WT1 5950 TIP3 OH2 OT -0.834000 15.9994 0
+ 10060 WT1 5950 TIP3 H1 HT 0.417000 1.0080 0
+ 10061 WT1 5950 TIP3 H2 HT 0.417000 1.0080 0
+ 10062 WT1 5952 TIP3 OH2 OT -0.834000 15.9994 0
+ 10063 WT1 5952 TIP3 H1 HT 0.417000 1.0080 0
+ 10064 WT1 5952 TIP3 H2 HT 0.417000 1.0080 0
+ 10065 WT1 5954 TIP3 OH2 OT -0.834000 15.9994 0
+ 10066 WT1 5954 TIP3 H1 HT 0.417000 1.0080 0
+ 10067 WT1 5954 TIP3 H2 HT 0.417000 1.0080 0
+ 10068 WT1 5962 TIP3 OH2 OT -0.834000 15.9994 0
+ 10069 WT1 5962 TIP3 H1 HT 0.417000 1.0080 0
+ 10070 WT1 5962 TIP3 H2 HT 0.417000 1.0080 0
+ 10071 WT1 5965 TIP3 OH2 OT -0.834000 15.9994 0
+ 10072 WT1 5965 TIP3 H1 HT 0.417000 1.0080 0
+ 10073 WT1 5965 TIP3 H2 HT 0.417000 1.0080 0
+ 10074 WT1 5967 TIP3 OH2 OT -0.834000 15.9994 0
+ 10075 WT1 5967 TIP3 H1 HT 0.417000 1.0080 0
+ 10076 WT1 5967 TIP3 H2 HT 0.417000 1.0080 0
+ 10077 WT1 5969 TIP3 OH2 OT -0.834000 15.9994 0
+ 10078 WT1 5969 TIP3 H1 HT 0.417000 1.0080 0
+ 10079 WT1 5969 TIP3 H2 HT 0.417000 1.0080 0
+ 10080 WT1 5970 TIP3 OH2 OT -0.834000 15.9994 0
+ 10081 WT1 5970 TIP3 H1 HT 0.417000 1.0080 0
+ 10082 WT1 5970 TIP3 H2 HT 0.417000 1.0080 0
+ 10083 WT1 5971 TIP3 OH2 OT -0.834000 15.9994 0
+ 10084 WT1 5971 TIP3 H1 HT 0.417000 1.0080 0
+ 10085 WT1 5971 TIP3 H2 HT 0.417000 1.0080 0
+ 10086 WT1 5972 TIP3 OH2 OT -0.834000 15.9994 0
+ 10087 WT1 5972 TIP3 H1 HT 0.417000 1.0080 0
+ 10088 WT1 5972 TIP3 H2 HT 0.417000 1.0080 0
+ 10089 WT1 5973 TIP3 OH2 OT -0.834000 15.9994 0
+ 10090 WT1 5973 TIP3 H1 HT 0.417000 1.0080 0
+ 10091 WT1 5973 TIP3 H2 HT 0.417000 1.0080 0
+ 10092 WT1 5975 TIP3 OH2 OT -0.834000 15.9994 0
+ 10093 WT1 5975 TIP3 H1 HT 0.417000 1.0080 0
+ 10094 WT1 5975 TIP3 H2 HT 0.417000 1.0080 0
+ 10095 WT1 5976 TIP3 OH2 OT -0.834000 15.9994 0
+ 10096 WT1 5976 TIP3 H1 HT 0.417000 1.0080 0
+ 10097 WT1 5976 TIP3 H2 HT 0.417000 1.0080 0
+ 10098 WT1 5977 TIP3 OH2 OT -0.834000 15.9994 0
+ 10099 WT1 5977 TIP3 H1 HT 0.417000 1.0080 0
+ 10100 WT1 5977 TIP3 H2 HT 0.417000 1.0080 0
+ 10101 WT1 5984 TIP3 OH2 OT -0.834000 15.9994 0
+ 10102 WT1 5984 TIP3 H1 HT 0.417000 1.0080 0
+ 10103 WT1 5984 TIP3 H2 HT 0.417000 1.0080 0
+ 10104 WT1 5986 TIP3 OH2 OT -0.834000 15.9994 0
+ 10105 WT1 5986 TIP3 H1 HT 0.417000 1.0080 0
+ 10106 WT1 5986 TIP3 H2 HT 0.417000 1.0080 0
+ 10107 WT1 5987 TIP3 OH2 OT -0.834000 15.9994 0
+ 10108 WT1 5987 TIP3 H1 HT 0.417000 1.0080 0
+ 10109 WT1 5987 TIP3 H2 HT 0.417000 1.0080 0
+ 10110 WT1 5988 TIP3 OH2 OT -0.834000 15.9994 0
+ 10111 WT1 5988 TIP3 H1 HT 0.417000 1.0080 0
+ 10112 WT1 5988 TIP3 H2 HT 0.417000 1.0080 0
+ 10113 WT1 5989 TIP3 OH2 OT -0.834000 15.9994 0
+ 10114 WT1 5989 TIP3 H1 HT 0.417000 1.0080 0
+ 10115 WT1 5989 TIP3 H2 HT 0.417000 1.0080 0
+ 10116 WT1 5990 TIP3 OH2 OT -0.834000 15.9994 0
+ 10117 WT1 5990 TIP3 H1 HT 0.417000 1.0080 0
+ 10118 WT1 5990 TIP3 H2 HT 0.417000 1.0080 0
+ 10119 WT1 5991 TIP3 OH2 OT -0.834000 15.9994 0
+ 10120 WT1 5991 TIP3 H1 HT 0.417000 1.0080 0
+ 10121 WT1 5991 TIP3 H2 HT 0.417000 1.0080 0
+ 10122 WT1 5992 TIP3 OH2 OT -0.834000 15.9994 0
+ 10123 WT1 5992 TIP3 H1 HT 0.417000 1.0080 0
+ 10124 WT1 5992 TIP3 H2 HT 0.417000 1.0080 0
+ 10125 WT1 5993 TIP3 OH2 OT -0.834000 15.9994 0
+ 10126 WT1 5993 TIP3 H1 HT 0.417000 1.0080 0
+ 10127 WT1 5993 TIP3 H2 HT 0.417000 1.0080 0
+ 10128 WT1 5996 TIP3 OH2 OT -0.834000 15.9994 0
+ 10129 WT1 5996 TIP3 H1 HT 0.417000 1.0080 0
+ 10130 WT1 5996 TIP3 H2 HT 0.417000 1.0080 0
+ 10131 WT1 6000 TIP3 OH2 OT -0.834000 15.9994 0
+ 10132 WT1 6000 TIP3 H1 HT 0.417000 1.0080 0
+ 10133 WT1 6000 TIP3 H2 HT 0.417000 1.0080 0
+ 10134 WT1 6008 TIP3 OH2 OT -0.834000 15.9994 0
+ 10135 WT1 6008 TIP3 H1 HT 0.417000 1.0080 0
+ 10136 WT1 6008 TIP3 H2 HT 0.417000 1.0080 0
+ 10137 WT1 6011 TIP3 OH2 OT -0.834000 15.9994 0
+ 10138 WT1 6011 TIP3 H1 HT 0.417000 1.0080 0
+ 10139 WT1 6011 TIP3 H2 HT 0.417000 1.0080 0
+ 10140 WT1 6012 TIP3 OH2 OT -0.834000 15.9994 0
+ 10141 WT1 6012 TIP3 H1 HT 0.417000 1.0080 0
+ 10142 WT1 6012 TIP3 H2 HT 0.417000 1.0080 0
+ 10143 WT1 6014 TIP3 OH2 OT -0.834000 15.9994 0
+ 10144 WT1 6014 TIP3 H1 HT 0.417000 1.0080 0
+ 10145 WT1 6014 TIP3 H2 HT 0.417000 1.0080 0
+ 10146 WT1 6015 TIP3 OH2 OT -0.834000 15.9994 0
+ 10147 WT1 6015 TIP3 H1 HT 0.417000 1.0080 0
+ 10148 WT1 6015 TIP3 H2 HT 0.417000 1.0080 0
+ 10149 WT1 6016 TIP3 OH2 OT -0.834000 15.9994 0
+ 10150 WT1 6016 TIP3 H1 HT 0.417000 1.0080 0
+ 10151 WT1 6016 TIP3 H2 HT 0.417000 1.0080 0
+ 10152 WT1 6019 TIP3 OH2 OT -0.834000 15.9994 0
+ 10153 WT1 6019 TIP3 H1 HT 0.417000 1.0080 0
+ 10154 WT1 6019 TIP3 H2 HT 0.417000 1.0080 0
+ 10155 WT1 6021 TIP3 OH2 OT -0.834000 15.9994 0
+ 10156 WT1 6021 TIP3 H1 HT 0.417000 1.0080 0
+ 10157 WT1 6021 TIP3 H2 HT 0.417000 1.0080 0
+ 10158 WT1 6022 TIP3 OH2 OT -0.834000 15.9994 0
+ 10159 WT1 6022 TIP3 H1 HT 0.417000 1.0080 0
+ 10160 WT1 6022 TIP3 H2 HT 0.417000 1.0080 0
+ 10161 WT1 6030 TIP3 OH2 OT -0.834000 15.9994 0
+ 10162 WT1 6030 TIP3 H1 HT 0.417000 1.0080 0
+ 10163 WT1 6030 TIP3 H2 HT 0.417000 1.0080 0
+ 10164 WT1 6033 TIP3 OH2 OT -0.834000 15.9994 0
+ 10165 WT1 6033 TIP3 H1 HT 0.417000 1.0080 0
+ 10166 WT1 6033 TIP3 H2 HT 0.417000 1.0080 0
+ 10167 WT1 6034 TIP3 OH2 OT -0.834000 15.9994 0
+ 10168 WT1 6034 TIP3 H1 HT 0.417000 1.0080 0
+ 10169 WT1 6034 TIP3 H2 HT 0.417000 1.0080 0
+ 10170 WT1 6036 TIP3 OH2 OT -0.834000 15.9994 0
+ 10171 WT1 6036 TIP3 H1 HT 0.417000 1.0080 0
+ 10172 WT1 6036 TIP3 H2 HT 0.417000 1.0080 0
+ 10173 WT1 6038 TIP3 OH2 OT -0.834000 15.9994 0
+ 10174 WT1 6038 TIP3 H1 HT 0.417000 1.0080 0
+ 10175 WT1 6038 TIP3 H2 HT 0.417000 1.0080 0
+ 10176 WT1 6039 TIP3 OH2 OT -0.834000 15.9994 0
+ 10177 WT1 6039 TIP3 H1 HT 0.417000 1.0080 0
+ 10178 WT1 6039 TIP3 H2 HT 0.417000 1.0080 0
+ 10179 WT1 6041 TIP3 OH2 OT -0.834000 15.9994 0
+ 10180 WT1 6041 TIP3 H1 HT 0.417000 1.0080 0
+ 10181 WT1 6041 TIP3 H2 HT 0.417000 1.0080 0
+ 10182 WT1 6046 TIP3 OH2 OT -0.834000 15.9994 0
+ 10183 WT1 6046 TIP3 H1 HT 0.417000 1.0080 0
+ 10184 WT1 6046 TIP3 H2 HT 0.417000 1.0080 0
+ 10185 WT1 6048 TIP3 OH2 OT -0.834000 15.9994 0
+ 10186 WT1 6048 TIP3 H1 HT 0.417000 1.0080 0
+ 10187 WT1 6048 TIP3 H2 HT 0.417000 1.0080 0
+ 10188 WT1 6050 TIP3 OH2 OT -0.834000 15.9994 0
+ 10189 WT1 6050 TIP3 H1 HT 0.417000 1.0080 0
+ 10190 WT1 6050 TIP3 H2 HT 0.417000 1.0080 0
+ 10191 WT1 6051 TIP3 OH2 OT -0.834000 15.9994 0
+ 10192 WT1 6051 TIP3 H1 HT 0.417000 1.0080 0
+ 10193 WT1 6051 TIP3 H2 HT 0.417000 1.0080 0
+ 10194 WT1 6052 TIP3 OH2 OT -0.834000 15.9994 0
+ 10195 WT1 6052 TIP3 H1 HT 0.417000 1.0080 0
+ 10196 WT1 6052 TIP3 H2 HT 0.417000 1.0080 0
+ 10197 WT1 6056 TIP3 OH2 OT -0.834000 15.9994 0
+ 10198 WT1 6056 TIP3 H1 HT 0.417000 1.0080 0
+ 10199 WT1 6056 TIP3 H2 HT 0.417000 1.0080 0
+ 10200 WT1 6057 TIP3 OH2 OT -0.834000 15.9994 0
+ 10201 WT1 6057 TIP3 H1 HT 0.417000 1.0080 0
+ 10202 WT1 6057 TIP3 H2 HT 0.417000 1.0080 0
+ 10203 WT1 6060 TIP3 OH2 OT -0.834000 15.9994 0
+ 10204 WT1 6060 TIP3 H1 HT 0.417000 1.0080 0
+ 10205 WT1 6060 TIP3 H2 HT 0.417000 1.0080 0
+ 10206 WT1 6061 TIP3 OH2 OT -0.834000 15.9994 0
+ 10207 WT1 6061 TIP3 H1 HT 0.417000 1.0080 0
+ 10208 WT1 6061 TIP3 H2 HT 0.417000 1.0080 0
+ 10209 WT1 6071 TIP3 OH2 OT -0.834000 15.9994 0
+ 10210 WT1 6071 TIP3 H1 HT 0.417000 1.0080 0
+ 10211 WT1 6071 TIP3 H2 HT 0.417000 1.0080 0
+ 10212 WT1 6073 TIP3 OH2 OT -0.834000 15.9994 0
+ 10213 WT1 6073 TIP3 H1 HT 0.417000 1.0080 0
+ 10214 WT1 6073 TIP3 H2 HT 0.417000 1.0080 0
+ 10215 WT1 6074 TIP3 OH2 OT -0.834000 15.9994 0
+ 10216 WT1 6074 TIP3 H1 HT 0.417000 1.0080 0
+ 10217 WT1 6074 TIP3 H2 HT 0.417000 1.0080 0
+ 10218 WT1 6076 TIP3 OH2 OT -0.834000 15.9994 0
+ 10219 WT1 6076 TIP3 H1 HT 0.417000 1.0080 0
+ 10220 WT1 6076 TIP3 H2 HT 0.417000 1.0080 0
+ 10221 WT1 6077 TIP3 OH2 OT -0.834000 15.9994 0
+ 10222 WT1 6077 TIP3 H1 HT 0.417000 1.0080 0
+ 10223 WT1 6077 TIP3 H2 HT 0.417000 1.0080 0
+ 10224 WT1 6078 TIP3 OH2 OT -0.834000 15.9994 0
+ 10225 WT1 6078 TIP3 H1 HT 0.417000 1.0080 0
+ 10226 WT1 6078 TIP3 H2 HT 0.417000 1.0080 0
+ 10227 WT1 6079 TIP3 OH2 OT -0.834000 15.9994 0
+ 10228 WT1 6079 TIP3 H1 HT 0.417000 1.0080 0
+ 10229 WT1 6079 TIP3 H2 HT 0.417000 1.0080 0
+ 10230 WT1 6080 TIP3 OH2 OT -0.834000 15.9994 0
+ 10231 WT1 6080 TIP3 H1 HT 0.417000 1.0080 0
+ 10232 WT1 6080 TIP3 H2 HT 0.417000 1.0080 0
+ 10233 WT1 6082 TIP3 OH2 OT -0.834000 15.9994 0
+ 10234 WT1 6082 TIP3 H1 HT 0.417000 1.0080 0
+ 10235 WT1 6082 TIP3 H2 HT 0.417000 1.0080 0
+ 10236 WT1 6084 TIP3 OH2 OT -0.834000 15.9994 0
+ 10237 WT1 6084 TIP3 H1 HT 0.417000 1.0080 0
+ 10238 WT1 6084 TIP3 H2 HT 0.417000 1.0080 0
+ 10239 WT1 6086 TIP3 OH2 OT -0.834000 15.9994 0
+ 10240 WT1 6086 TIP3 H1 HT 0.417000 1.0080 0
+ 10241 WT1 6086 TIP3 H2 HT 0.417000 1.0080 0
+ 10242 WT1 6090 TIP3 OH2 OT -0.834000 15.9994 0
+ 10243 WT1 6090 TIP3 H1 HT 0.417000 1.0080 0
+ 10244 WT1 6090 TIP3 H2 HT 0.417000 1.0080 0
+ 10245 WT1 6091 TIP3 OH2 OT -0.834000 15.9994 0
+ 10246 WT1 6091 TIP3 H1 HT 0.417000 1.0080 0
+ 10247 WT1 6091 TIP3 H2 HT 0.417000 1.0080 0
+ 10248 WT1 6092 TIP3 OH2 OT -0.834000 15.9994 0
+ 10249 WT1 6092 TIP3 H1 HT 0.417000 1.0080 0
+ 10250 WT1 6092 TIP3 H2 HT 0.417000 1.0080 0
+ 10251 WT1 6099 TIP3 OH2 OT -0.834000 15.9994 0
+ 10252 WT1 6099 TIP3 H1 HT 0.417000 1.0080 0
+ 10253 WT1 6099 TIP3 H2 HT 0.417000 1.0080 0
+ 10254 WT1 6100 TIP3 OH2 OT -0.834000 15.9994 0
+ 10255 WT1 6100 TIP3 H1 HT 0.417000 1.0080 0
+ 10256 WT1 6100 TIP3 H2 HT 0.417000 1.0080 0
+ 10257 WT1 6102 TIP3 OH2 OT -0.834000 15.9994 0
+ 10258 WT1 6102 TIP3 H1 HT 0.417000 1.0080 0
+ 10259 WT1 6102 TIP3 H2 HT 0.417000 1.0080 0
+ 10260 WT1 6104 TIP3 OH2 OT -0.834000 15.9994 0
+ 10261 WT1 6104 TIP3 H1 HT 0.417000 1.0080 0
+ 10262 WT1 6104 TIP3 H2 HT 0.417000 1.0080 0
+ 10263 WT1 6110 TIP3 OH2 OT -0.834000 15.9994 0
+ 10264 WT1 6110 TIP3 H1 HT 0.417000 1.0080 0
+ 10265 WT1 6110 TIP3 H2 HT 0.417000 1.0080 0
+ 10266 WT1 6112 TIP3 OH2 OT -0.834000 15.9994 0
+ 10267 WT1 6112 TIP3 H1 HT 0.417000 1.0080 0
+ 10268 WT1 6112 TIP3 H2 HT 0.417000 1.0080 0
+ 10269 WT1 6113 TIP3 OH2 OT -0.834000 15.9994 0
+ 10270 WT1 6113 TIP3 H1 HT 0.417000 1.0080 0
+ 10271 WT1 6113 TIP3 H2 HT 0.417000 1.0080 0
+ 10272 WT1 6115 TIP3 OH2 OT -0.834000 15.9994 0
+ 10273 WT1 6115 TIP3 H1 HT 0.417000 1.0080 0
+ 10274 WT1 6115 TIP3 H2 HT 0.417000 1.0080 0
+ 10275 WT1 6117 TIP3 OH2 OT -0.834000 15.9994 0
+ 10276 WT1 6117 TIP3 H1 HT 0.417000 1.0080 0
+ 10277 WT1 6117 TIP3 H2 HT 0.417000 1.0080 0
+ 10278 WT1 6118 TIP3 OH2 OT -0.834000 15.9994 0
+ 10279 WT1 6118 TIP3 H1 HT 0.417000 1.0080 0
+ 10280 WT1 6118 TIP3 H2 HT 0.417000 1.0080 0
+ 10281 WT1 6119 TIP3 OH2 OT -0.834000 15.9994 0
+ 10282 WT1 6119 TIP3 H1 HT 0.417000 1.0080 0
+ 10283 WT1 6119 TIP3 H2 HT 0.417000 1.0080 0
+ 10284 WT1 6121 TIP3 OH2 OT -0.834000 15.9994 0
+ 10285 WT1 6121 TIP3 H1 HT 0.417000 1.0080 0
+ 10286 WT1 6121 TIP3 H2 HT 0.417000 1.0080 0
+ 10287 WT1 6128 TIP3 OH2 OT -0.834000 15.9994 0
+ 10288 WT1 6128 TIP3 H1 HT 0.417000 1.0080 0
+ 10289 WT1 6128 TIP3 H2 HT 0.417000 1.0080 0
+ 10290 WT1 6132 TIP3 OH2 OT -0.834000 15.9994 0
+ 10291 WT1 6132 TIP3 H1 HT 0.417000 1.0080 0
+ 10292 WT1 6132 TIP3 H2 HT 0.417000 1.0080 0
+ 10293 WT1 6133 TIP3 OH2 OT -0.834000 15.9994 0
+ 10294 WT1 6133 TIP3 H1 HT 0.417000 1.0080 0
+ 10295 WT1 6133 TIP3 H2 HT 0.417000 1.0080 0
+ 10296 WT1 6135 TIP3 OH2 OT -0.834000 15.9994 0
+ 10297 WT1 6135 TIP3 H1 HT 0.417000 1.0080 0
+ 10298 WT1 6135 TIP3 H2 HT 0.417000 1.0080 0
+ 10299 WT1 6136 TIP3 OH2 OT -0.834000 15.9994 0
+ 10300 WT1 6136 TIP3 H1 HT 0.417000 1.0080 0
+ 10301 WT1 6136 TIP3 H2 HT 0.417000 1.0080 0
+ 10302 WT1 6137 TIP3 OH2 OT -0.834000 15.9994 0
+ 10303 WT1 6137 TIP3 H1 HT 0.417000 1.0080 0
+ 10304 WT1 6137 TIP3 H2 HT 0.417000 1.0080 0
+ 10305 WT1 6138 TIP3 OH2 OT -0.834000 15.9994 0
+ 10306 WT1 6138 TIP3 H1 HT 0.417000 1.0080 0
+ 10307 WT1 6138 TIP3 H2 HT 0.417000 1.0080 0
+ 10308 WT1 6139 TIP3 OH2 OT -0.834000 15.9994 0
+ 10309 WT1 6139 TIP3 H1 HT 0.417000 1.0080 0
+ 10310 WT1 6139 TIP3 H2 HT 0.417000 1.0080 0
+ 10311 WT1 6141 TIP3 OH2 OT -0.834000 15.9994 0
+ 10312 WT1 6141 TIP3 H1 HT 0.417000 1.0080 0
+ 10313 WT1 6141 TIP3 H2 HT 0.417000 1.0080 0
+ 10314 WT1 6142 TIP3 OH2 OT -0.834000 15.9994 0
+ 10315 WT1 6142 TIP3 H1 HT 0.417000 1.0080 0
+ 10316 WT1 6142 TIP3 H2 HT 0.417000 1.0080 0
+ 10317 WT1 6143 TIP3 OH2 OT -0.834000 15.9994 0
+ 10318 WT1 6143 TIP3 H1 HT 0.417000 1.0080 0
+ 10319 WT1 6143 TIP3 H2 HT 0.417000 1.0080 0
+ 10320 WT1 6157 TIP3 OH2 OT -0.834000 15.9994 0
+ 10321 WT1 6157 TIP3 H1 HT 0.417000 1.0080 0
+ 10322 WT1 6157 TIP3 H2 HT 0.417000 1.0080 0
+ 10323 WT1 6158 TIP3 OH2 OT -0.834000 15.9994 0
+ 10324 WT1 6158 TIP3 H1 HT 0.417000 1.0080 0
+ 10325 WT1 6158 TIP3 H2 HT 0.417000 1.0080 0
+ 10326 WT1 6160 TIP3 OH2 OT -0.834000 15.9994 0
+ 10327 WT1 6160 TIP3 H1 HT 0.417000 1.0080 0
+ 10328 WT1 6160 TIP3 H2 HT 0.417000 1.0080 0
+ 10329 WT1 6162 TIP3 OH2 OT -0.834000 15.9994 0
+ 10330 WT1 6162 TIP3 H1 HT 0.417000 1.0080 0
+ 10331 WT1 6162 TIP3 H2 HT 0.417000 1.0080 0
+ 10332 WT1 6165 TIP3 OH2 OT -0.834000 15.9994 0
+ 10333 WT1 6165 TIP3 H1 HT 0.417000 1.0080 0
+ 10334 WT1 6165 TIP3 H2 HT 0.417000 1.0080 0
+ 10335 WT1 6168 TIP3 OH2 OT -0.834000 15.9994 0
+ 10336 WT1 6168 TIP3 H1 HT 0.417000 1.0080 0
+ 10337 WT1 6168 TIP3 H2 HT 0.417000 1.0080 0
+ 10338 WT1 6169 TIP3 OH2 OT -0.834000 15.9994 0
+ 10339 WT1 6169 TIP3 H1 HT 0.417000 1.0080 0
+ 10340 WT1 6169 TIP3 H2 HT 0.417000 1.0080 0
+ 10341 WT1 6177 TIP3 OH2 OT -0.834000 15.9994 0
+ 10342 WT1 6177 TIP3 H1 HT 0.417000 1.0080 0
+ 10343 WT1 6177 TIP3 H2 HT 0.417000 1.0080 0
+ 10344 WT1 6178 TIP3 OH2 OT -0.834000 15.9994 0
+ 10345 WT1 6178 TIP3 H1 HT 0.417000 1.0080 0
+ 10346 WT1 6178 TIP3 H2 HT 0.417000 1.0080 0
+ 10347 WT1 6180 TIP3 OH2 OT -0.834000 15.9994 0
+ 10348 WT1 6180 TIP3 H1 HT 0.417000 1.0080 0
+ 10349 WT1 6180 TIP3 H2 HT 0.417000 1.0080 0
+ 10350 WT1 6183 TIP3 OH2 OT -0.834000 15.9994 0
+ 10351 WT1 6183 TIP3 H1 HT 0.417000 1.0080 0
+ 10352 WT1 6183 TIP3 H2 HT 0.417000 1.0080 0
+ 10353 WT1 6184 TIP3 OH2 OT -0.834000 15.9994 0
+ 10354 WT1 6184 TIP3 H1 HT 0.417000 1.0080 0
+ 10355 WT1 6184 TIP3 H2 HT 0.417000 1.0080 0
+ 10356 WT1 6185 TIP3 OH2 OT -0.834000 15.9994 0
+ 10357 WT1 6185 TIP3 H1 HT 0.417000 1.0080 0
+ 10358 WT1 6185 TIP3 H2 HT 0.417000 1.0080 0
+ 10359 WT1 6187 TIP3 OH2 OT -0.834000 15.9994 0
+ 10360 WT1 6187 TIP3 H1 HT 0.417000 1.0080 0
+ 10361 WT1 6187 TIP3 H2 HT 0.417000 1.0080 0
+ 10362 WT1 6188 TIP3 OH2 OT -0.834000 15.9994 0
+ 10363 WT1 6188 TIP3 H1 HT 0.417000 1.0080 0
+ 10364 WT1 6188 TIP3 H2 HT 0.417000 1.0080 0
+ 10365 WT1 6190 TIP3 OH2 OT -0.834000 15.9994 0
+ 10366 WT1 6190 TIP3 H1 HT 0.417000 1.0080 0
+ 10367 WT1 6190 TIP3 H2 HT 0.417000 1.0080 0
+ 10368 WT1 6193 TIP3 OH2 OT -0.834000 15.9994 0
+ 10369 WT1 6193 TIP3 H1 HT 0.417000 1.0080 0
+ 10370 WT1 6193 TIP3 H2 HT 0.417000 1.0080 0
+ 10371 WT1 6195 TIP3 OH2 OT -0.834000 15.9994 0
+ 10372 WT1 6195 TIP3 H1 HT 0.417000 1.0080 0
+ 10373 WT1 6195 TIP3 H2 HT 0.417000 1.0080 0
+ 10374 WT1 6198 TIP3 OH2 OT -0.834000 15.9994 0
+ 10375 WT1 6198 TIP3 H1 HT 0.417000 1.0080 0
+ 10376 WT1 6198 TIP3 H2 HT 0.417000 1.0080 0
+ 10377 WT1 6200 TIP3 OH2 OT -0.834000 15.9994 0
+ 10378 WT1 6200 TIP3 H1 HT 0.417000 1.0080 0
+ 10379 WT1 6200 TIP3 H2 HT 0.417000 1.0080 0
+ 10380 WT1 6208 TIP3 OH2 OT -0.834000 15.9994 0
+ 10381 WT1 6208 TIP3 H1 HT 0.417000 1.0080 0
+ 10382 WT1 6208 TIP3 H2 HT 0.417000 1.0080 0
+ 10383 WT1 6209 TIP3 OH2 OT -0.834000 15.9994 0
+ 10384 WT1 6209 TIP3 H1 HT 0.417000 1.0080 0
+ 10385 WT1 6209 TIP3 H2 HT 0.417000 1.0080 0
+ 10386 WT1 6218 TIP3 OH2 OT -0.834000 15.9994 0
+ 10387 WT1 6218 TIP3 H1 HT 0.417000 1.0080 0
+ 10388 WT1 6218 TIP3 H2 HT 0.417000 1.0080 0
+ 10389 WT1 6219 TIP3 OH2 OT -0.834000 15.9994 0
+ 10390 WT1 6219 TIP3 H1 HT 0.417000 1.0080 0
+ 10391 WT1 6219 TIP3 H2 HT 0.417000 1.0080 0
+ 10392 WT1 6220 TIP3 OH2 OT -0.834000 15.9994 0
+ 10393 WT1 6220 TIP3 H1 HT 0.417000 1.0080 0
+ 10394 WT1 6220 TIP3 H2 HT 0.417000 1.0080 0
+ 10395 WT1 6222 TIP3 OH2 OT -0.834000 15.9994 0
+ 10396 WT1 6222 TIP3 H1 HT 0.417000 1.0080 0
+ 10397 WT1 6222 TIP3 H2 HT 0.417000 1.0080 0
+ 10398 WT1 6224 TIP3 OH2 OT -0.834000 15.9994 0
+ 10399 WT1 6224 TIP3 H1 HT 0.417000 1.0080 0
+ 10400 WT1 6224 TIP3 H2 HT 0.417000 1.0080 0
+ 10401 WT1 6226 TIP3 OH2 OT -0.834000 15.9994 0
+ 10402 WT1 6226 TIP3 H1 HT 0.417000 1.0080 0
+ 10403 WT1 6226 TIP3 H2 HT 0.417000 1.0080 0
+ 10404 WT1 6227 TIP3 OH2 OT -0.834000 15.9994 0
+ 10405 WT1 6227 TIP3 H1 HT 0.417000 1.0080 0
+ 10406 WT1 6227 TIP3 H2 HT 0.417000 1.0080 0
+ 10407 WT1 6228 TIP3 OH2 OT -0.834000 15.9994 0
+ 10408 WT1 6228 TIP3 H1 HT 0.417000 1.0080 0
+ 10409 WT1 6228 TIP3 H2 HT 0.417000 1.0080 0
+ 10410 WT1 6229 TIP3 OH2 OT -0.834000 15.9994 0
+ 10411 WT1 6229 TIP3 H1 HT 0.417000 1.0080 0
+ 10412 WT1 6229 TIP3 H2 HT 0.417000 1.0080 0
+ 10413 WT1 6230 TIP3 OH2 OT -0.834000 15.9994 0
+ 10414 WT1 6230 TIP3 H1 HT 0.417000 1.0080 0
+ 10415 WT1 6230 TIP3 H2 HT 0.417000 1.0080 0
+ 10416 WT1 6231 TIP3 OH2 OT -0.834000 15.9994 0
+ 10417 WT1 6231 TIP3 H1 HT 0.417000 1.0080 0
+ 10418 WT1 6231 TIP3 H2 HT 0.417000 1.0080 0
+ 10419 WT1 6239 TIP3 OH2 OT -0.834000 15.9994 0
+ 10420 WT1 6239 TIP3 H1 HT 0.417000 1.0080 0
+ 10421 WT1 6239 TIP3 H2 HT 0.417000 1.0080 0
+ 10422 WT1 6240 TIP3 OH2 OT -0.834000 15.9994 0
+ 10423 WT1 6240 TIP3 H1 HT 0.417000 1.0080 0
+ 10424 WT1 6240 TIP3 H2 HT 0.417000 1.0080 0
+ 10425 WT1 6241 TIP3 OH2 OT -0.834000 15.9994 0
+ 10426 WT1 6241 TIP3 H1 HT 0.417000 1.0080 0
+ 10427 WT1 6241 TIP3 H2 HT 0.417000 1.0080 0
+ 10428 WT1 6242 TIP3 OH2 OT -0.834000 15.9994 0
+ 10429 WT1 6242 TIP3 H1 HT 0.417000 1.0080 0
+ 10430 WT1 6242 TIP3 H2 HT 0.417000 1.0080 0
+ 10431 WT1 6243 TIP3 OH2 OT -0.834000 15.9994 0
+ 10432 WT1 6243 TIP3 H1 HT 0.417000 1.0080 0
+ 10433 WT1 6243 TIP3 H2 HT 0.417000 1.0080 0
+ 10434 WT1 6246 TIP3 OH2 OT -0.834000 15.9994 0
+ 10435 WT1 6246 TIP3 H1 HT 0.417000 1.0080 0
+ 10436 WT1 6246 TIP3 H2 HT 0.417000 1.0080 0
+ 10437 WT1 6247 TIP3 OH2 OT -0.834000 15.9994 0
+ 10438 WT1 6247 TIP3 H1 HT 0.417000 1.0080 0
+ 10439 WT1 6247 TIP3 H2 HT 0.417000 1.0080 0
+ 10440 WT1 6252 TIP3 OH2 OT -0.834000 15.9994 0
+ 10441 WT1 6252 TIP3 H1 HT 0.417000 1.0080 0
+ 10442 WT1 6252 TIP3 H2 HT 0.417000 1.0080 0
+ 10443 WT1 6256 TIP3 OH2 OT -0.834000 15.9994 0
+ 10444 WT1 6256 TIP3 H1 HT 0.417000 1.0080 0
+ 10445 WT1 6256 TIP3 H2 HT 0.417000 1.0080 0
+ 10446 WT1 6258 TIP3 OH2 OT -0.834000 15.9994 0
+ 10447 WT1 6258 TIP3 H1 HT 0.417000 1.0080 0
+ 10448 WT1 6258 TIP3 H2 HT 0.417000 1.0080 0
+ 10449 WT1 6262 TIP3 OH2 OT -0.834000 15.9994 0
+ 10450 WT1 6262 TIP3 H1 HT 0.417000 1.0080 0
+ 10451 WT1 6262 TIP3 H2 HT 0.417000 1.0080 0
+ 10452 WT1 6263 TIP3 OH2 OT -0.834000 15.9994 0
+ 10453 WT1 6263 TIP3 H1 HT 0.417000 1.0080 0
+ 10454 WT1 6263 TIP3 H2 HT 0.417000 1.0080 0
+ 10455 WT1 6266 TIP3 OH2 OT -0.834000 15.9994 0
+ 10456 WT1 6266 TIP3 H1 HT 0.417000 1.0080 0
+ 10457 WT1 6266 TIP3 H2 HT 0.417000 1.0080 0
+ 10458 WT1 6267 TIP3 OH2 OT -0.834000 15.9994 0
+ 10459 WT1 6267 TIP3 H1 HT 0.417000 1.0080 0
+ 10460 WT1 6267 TIP3 H2 HT 0.417000 1.0080 0
+ 10461 WT1 6269 TIP3 OH2 OT -0.834000 15.9994 0
+ 10462 WT1 6269 TIP3 H1 HT 0.417000 1.0080 0
+ 10463 WT1 6269 TIP3 H2 HT 0.417000 1.0080 0
+ 10464 WT1 6270 TIP3 OH2 OT -0.834000 15.9994 0
+ 10465 WT1 6270 TIP3 H1 HT 0.417000 1.0080 0
+ 10466 WT1 6270 TIP3 H2 HT 0.417000 1.0080 0
+ 10467 WT1 6285 TIP3 OH2 OT -0.834000 15.9994 0
+ 10468 WT1 6285 TIP3 H1 HT 0.417000 1.0080 0
+ 10469 WT1 6285 TIP3 H2 HT 0.417000 1.0080 0
+ 10470 WT1 6289 TIP3 OH2 OT -0.834000 15.9994 0
+ 10471 WT1 6289 TIP3 H1 HT 0.417000 1.0080 0
+ 10472 WT1 6289 TIP3 H2 HT 0.417000 1.0080 0
+ 10473 WT1 6290 TIP3 OH2 OT -0.834000 15.9994 0
+ 10474 WT1 6290 TIP3 H1 HT 0.417000 1.0080 0
+ 10475 WT1 6290 TIP3 H2 HT 0.417000 1.0080 0
+ 10476 WT1 6291 TIP3 OH2 OT -0.834000 15.9994 0
+ 10477 WT1 6291 TIP3 H1 HT 0.417000 1.0080 0
+ 10478 WT1 6291 TIP3 H2 HT 0.417000 1.0080 0
+ 10479 WT1 6297 TIP3 OH2 OT -0.834000 15.9994 0
+ 10480 WT1 6297 TIP3 H1 HT 0.417000 1.0080 0
+ 10481 WT1 6297 TIP3 H2 HT 0.417000 1.0080 0
+ 10482 WT1 6298 TIP3 OH2 OT -0.834000 15.9994 0
+ 10483 WT1 6298 TIP3 H1 HT 0.417000 1.0080 0
+ 10484 WT1 6298 TIP3 H2 HT 0.417000 1.0080 0
+ 10485 WT1 6300 TIP3 OH2 OT -0.834000 15.9994 0
+ 10486 WT1 6300 TIP3 H1 HT 0.417000 1.0080 0
+ 10487 WT1 6300 TIP3 H2 HT 0.417000 1.0080 0
+ 10488 WT1 6302 TIP3 OH2 OT -0.834000 15.9994 0
+ 10489 WT1 6302 TIP3 H1 HT 0.417000 1.0080 0
+ 10490 WT1 6302 TIP3 H2 HT 0.417000 1.0080 0
+ 10491 WT1 6309 TIP3 OH2 OT -0.834000 15.9994 0
+ 10492 WT1 6309 TIP3 H1 HT 0.417000 1.0080 0
+ 10493 WT1 6309 TIP3 H2 HT 0.417000 1.0080 0
+ 10494 WT1 6310 TIP3 OH2 OT -0.834000 15.9994 0
+ 10495 WT1 6310 TIP3 H1 HT 0.417000 1.0080 0
+ 10496 WT1 6310 TIP3 H2 HT 0.417000 1.0080 0
+ 10497 WT1 6311 TIP3 OH2 OT -0.834000 15.9994 0
+ 10498 WT1 6311 TIP3 H1 HT 0.417000 1.0080 0
+ 10499 WT1 6311 TIP3 H2 HT 0.417000 1.0080 0
+ 10500 WT1 6312 TIP3 OH2 OT -0.834000 15.9994 0
+ 10501 WT1 6312 TIP3 H1 HT 0.417000 1.0080 0
+ 10502 WT1 6312 TIP3 H2 HT 0.417000 1.0080 0
+ 10503 WT1 6313 TIP3 OH2 OT -0.834000 15.9994 0
+ 10504 WT1 6313 TIP3 H1 HT 0.417000 1.0080 0
+ 10505 WT1 6313 TIP3 H2 HT 0.417000 1.0080 0
+ 10506 WT1 6314 TIP3 OH2 OT -0.834000 15.9994 0
+ 10507 WT1 6314 TIP3 H1 HT 0.417000 1.0080 0
+ 10508 WT1 6314 TIP3 H2 HT 0.417000 1.0080 0
+ 10509 WT1 6315 TIP3 OH2 OT -0.834000 15.9994 0
+ 10510 WT1 6315 TIP3 H1 HT 0.417000 1.0080 0
+ 10511 WT1 6315 TIP3 H2 HT 0.417000 1.0080 0
+ 10512 WT1 6316 TIP3 OH2 OT -0.834000 15.9994 0
+ 10513 WT1 6316 TIP3 H1 HT 0.417000 1.0080 0
+ 10514 WT1 6316 TIP3 H2 HT 0.417000 1.0080 0
+ 10515 WT1 6319 TIP3 OH2 OT -0.834000 15.9994 0
+ 10516 WT1 6319 TIP3 H1 HT 0.417000 1.0080 0
+ 10517 WT1 6319 TIP3 H2 HT 0.417000 1.0080 0
+ 10518 WT1 6321 TIP3 OH2 OT -0.834000 15.9994 0
+ 10519 WT1 6321 TIP3 H1 HT 0.417000 1.0080 0
+ 10520 WT1 6321 TIP3 H2 HT 0.417000 1.0080 0
+ 10521 WT1 6323 TIP3 OH2 OT -0.834000 15.9994 0
+ 10522 WT1 6323 TIP3 H1 HT 0.417000 1.0080 0
+ 10523 WT1 6323 TIP3 H2 HT 0.417000 1.0080 0
+ 10524 WT1 6324 TIP3 OH2 OT -0.834000 15.9994 0
+ 10525 WT1 6324 TIP3 H1 HT 0.417000 1.0080 0
+ 10526 WT1 6324 TIP3 H2 HT 0.417000 1.0080 0
+ 10527 WT1 6325 TIP3 OH2 OT -0.834000 15.9994 0
+ 10528 WT1 6325 TIP3 H1 HT 0.417000 1.0080 0
+ 10529 WT1 6325 TIP3 H2 HT 0.417000 1.0080 0
+ 10530 WT1 6326 TIP3 OH2 OT -0.834000 15.9994 0
+ 10531 WT1 6326 TIP3 H1 HT 0.417000 1.0080 0
+ 10532 WT1 6326 TIP3 H2 HT 0.417000 1.0080 0
+ 10533 WT1 6327 TIP3 OH2 OT -0.834000 15.9994 0
+ 10534 WT1 6327 TIP3 H1 HT 0.417000 1.0080 0
+ 10535 WT1 6327 TIP3 H2 HT 0.417000 1.0080 0
+ 10536 WT1 6330 TIP3 OH2 OT -0.834000 15.9994 0
+ 10537 WT1 6330 TIP3 H1 HT 0.417000 1.0080 0
+ 10538 WT1 6330 TIP3 H2 HT 0.417000 1.0080 0
+ 10539 WT1 6331 TIP3 OH2 OT -0.834000 15.9994 0
+ 10540 WT1 6331 TIP3 H1 HT 0.417000 1.0080 0
+ 10541 WT1 6331 TIP3 H2 HT 0.417000 1.0080 0
+ 10542 WT1 6333 TIP3 OH2 OT -0.834000 15.9994 0
+ 10543 WT1 6333 TIP3 H1 HT 0.417000 1.0080 0
+ 10544 WT1 6333 TIP3 H2 HT 0.417000 1.0080 0
+ 10545 WT1 6334 TIP3 OH2 OT -0.834000 15.9994 0
+ 10546 WT1 6334 TIP3 H1 HT 0.417000 1.0080 0
+ 10547 WT1 6334 TIP3 H2 HT 0.417000 1.0080 0
+ 10548 WT1 6336 TIP3 OH2 OT -0.834000 15.9994 0
+ 10549 WT1 6336 TIP3 H1 HT 0.417000 1.0080 0
+ 10550 WT1 6336 TIP3 H2 HT 0.417000 1.0080 0
+ 10551 WT1 6341 TIP3 OH2 OT -0.834000 15.9994 0
+ 10552 WT1 6341 TIP3 H1 HT 0.417000 1.0080 0
+ 10553 WT1 6341 TIP3 H2 HT 0.417000 1.0080 0
+ 10554 WT1 6345 TIP3 OH2 OT -0.834000 15.9994 0
+ 10555 WT1 6345 TIP3 H1 HT 0.417000 1.0080 0
+ 10556 WT1 6345 TIP3 H2 HT 0.417000 1.0080 0
+ 10557 WT1 6347 TIP3 OH2 OT -0.834000 15.9994 0
+ 10558 WT1 6347 TIP3 H1 HT 0.417000 1.0080 0
+ 10559 WT1 6347 TIP3 H2 HT 0.417000 1.0080 0
+ 10560 WT1 6348 TIP3 OH2 OT -0.834000 15.9994 0
+ 10561 WT1 6348 TIP3 H1 HT 0.417000 1.0080 0
+ 10562 WT1 6348 TIP3 H2 HT 0.417000 1.0080 0
+ 10563 WT1 6351 TIP3 OH2 OT -0.834000 15.9994 0
+ 10564 WT1 6351 TIP3 H1 HT 0.417000 1.0080 0
+ 10565 WT1 6351 TIP3 H2 HT 0.417000 1.0080 0
+ 10566 WT1 6352 TIP3 OH2 OT -0.834000 15.9994 0
+ 10567 WT1 6352 TIP3 H1 HT 0.417000 1.0080 0
+ 10568 WT1 6352 TIP3 H2 HT 0.417000 1.0080 0
+ 10569 WT1 6355 TIP3 OH2 OT -0.834000 15.9994 0
+ 10570 WT1 6355 TIP3 H1 HT 0.417000 1.0080 0
+ 10571 WT1 6355 TIP3 H2 HT 0.417000 1.0080 0
+ 10572 WT1 6356 TIP3 OH2 OT -0.834000 15.9994 0
+ 10573 WT1 6356 TIP3 H1 HT 0.417000 1.0080 0
+ 10574 WT1 6356 TIP3 H2 HT 0.417000 1.0080 0
+ 10575 WT1 6357 TIP3 OH2 OT -0.834000 15.9994 0
+ 10576 WT1 6357 TIP3 H1 HT 0.417000 1.0080 0
+ 10577 WT1 6357 TIP3 H2 HT 0.417000 1.0080 0
+ 10578 WT1 6366 TIP3 OH2 OT -0.834000 15.9994 0
+ 10579 WT1 6366 TIP3 H1 HT 0.417000 1.0080 0
+ 10580 WT1 6366 TIP3 H2 HT 0.417000 1.0080 0
+ 10581 WT1 6370 TIP3 OH2 OT -0.834000 15.9994 0
+ 10582 WT1 6370 TIP3 H1 HT 0.417000 1.0080 0
+ 10583 WT1 6370 TIP3 H2 HT 0.417000 1.0080 0
+ 10584 WT1 6375 TIP3 OH2 OT -0.834000 15.9994 0
+ 10585 WT1 6375 TIP3 H1 HT 0.417000 1.0080 0
+ 10586 WT1 6375 TIP3 H2 HT 0.417000 1.0080 0
+ 10587 WT1 6376 TIP3 OH2 OT -0.834000 15.9994 0
+ 10588 WT1 6376 TIP3 H1 HT 0.417000 1.0080 0
+ 10589 WT1 6376 TIP3 H2 HT 0.417000 1.0080 0
+ 10590 WT1 6381 TIP3 OH2 OT -0.834000 15.9994 0
+ 10591 WT1 6381 TIP3 H1 HT 0.417000 1.0080 0
+ 10592 WT1 6381 TIP3 H2 HT 0.417000 1.0080 0
+ 10593 WT1 6390 TIP3 OH2 OT -0.834000 15.9994 0
+ 10594 WT1 6390 TIP3 H1 HT 0.417000 1.0080 0
+ 10595 WT1 6390 TIP3 H2 HT 0.417000 1.0080 0
+ 10596 WT1 6391 TIP3 OH2 OT -0.834000 15.9994 0
+ 10597 WT1 6391 TIP3 H1 HT 0.417000 1.0080 0
+ 10598 WT1 6391 TIP3 H2 HT 0.417000 1.0080 0
+ 10599 WT1 6395 TIP3 OH2 OT -0.834000 15.9994 0
+ 10600 WT1 6395 TIP3 H1 HT 0.417000 1.0080 0
+ 10601 WT1 6395 TIP3 H2 HT 0.417000 1.0080 0
+ 10602 WT1 6396 TIP3 OH2 OT -0.834000 15.9994 0
+ 10603 WT1 6396 TIP3 H1 HT 0.417000 1.0080 0
+ 10604 WT1 6396 TIP3 H2 HT 0.417000 1.0080 0
+ 10605 WT1 6398 TIP3 OH2 OT -0.834000 15.9994 0
+ 10606 WT1 6398 TIP3 H1 HT 0.417000 1.0080 0
+ 10607 WT1 6398 TIP3 H2 HT 0.417000 1.0080 0
+ 10608 WT1 6399 TIP3 OH2 OT -0.834000 15.9994 0
+ 10609 WT1 6399 TIP3 H1 HT 0.417000 1.0080 0
+ 10610 WT1 6399 TIP3 H2 HT 0.417000 1.0080 0
+ 10611 WT1 6404 TIP3 OH2 OT -0.834000 15.9994 0
+ 10612 WT1 6404 TIP3 H1 HT 0.417000 1.0080 0
+ 10613 WT1 6404 TIP3 H2 HT 0.417000 1.0080 0
+ 10614 WT1 6407 TIP3 OH2 OT -0.834000 15.9994 0
+ 10615 WT1 6407 TIP3 H1 HT 0.417000 1.0080 0
+ 10616 WT1 6407 TIP3 H2 HT 0.417000 1.0080 0
+ 10617 WT1 6408 TIP3 OH2 OT -0.834000 15.9994 0
+ 10618 WT1 6408 TIP3 H1 HT 0.417000 1.0080 0
+ 10619 WT1 6408 TIP3 H2 HT 0.417000 1.0080 0
+ 10620 WT1 6409 TIP3 OH2 OT -0.834000 15.9994 0
+ 10621 WT1 6409 TIP3 H1 HT 0.417000 1.0080 0
+ 10622 WT1 6409 TIP3 H2 HT 0.417000 1.0080 0
+ 10623 WT1 6414 TIP3 OH2 OT -0.834000 15.9994 0
+ 10624 WT1 6414 TIP3 H1 HT 0.417000 1.0080 0
+ 10625 WT1 6414 TIP3 H2 HT 0.417000 1.0080 0
+ 10626 WT1 6417 TIP3 OH2 OT -0.834000 15.9994 0
+ 10627 WT1 6417 TIP3 H1 HT 0.417000 1.0080 0
+ 10628 WT1 6417 TIP3 H2 HT 0.417000 1.0080 0
+ 10629 WT1 6424 TIP3 OH2 OT -0.834000 15.9994 0
+ 10630 WT1 6424 TIP3 H1 HT 0.417000 1.0080 0
+ 10631 WT1 6424 TIP3 H2 HT 0.417000 1.0080 0
+ 10632 WT1 6425 TIP3 OH2 OT -0.834000 15.9994 0
+ 10633 WT1 6425 TIP3 H1 HT 0.417000 1.0080 0
+ 10634 WT1 6425 TIP3 H2 HT 0.417000 1.0080 0
+ 10635 WT1 6428 TIP3 OH2 OT -0.834000 15.9994 0
+ 10636 WT1 6428 TIP3 H1 HT 0.417000 1.0080 0
+ 10637 WT1 6428 TIP3 H2 HT 0.417000 1.0080 0
+ 10638 WT1 6429 TIP3 OH2 OT -0.834000 15.9994 0
+ 10639 WT1 6429 TIP3 H1 HT 0.417000 1.0080 0
+ 10640 WT1 6429 TIP3 H2 HT 0.417000 1.0080 0
+ 10641 WT1 6431 TIP3 OH2 OT -0.834000 15.9994 0
+ 10642 WT1 6431 TIP3 H1 HT 0.417000 1.0080 0
+ 10643 WT1 6431 TIP3 H2 HT 0.417000 1.0080 0
+ 10644 WT1 6433 TIP3 OH2 OT -0.834000 15.9994 0
+ 10645 WT1 6433 TIP3 H1 HT 0.417000 1.0080 0
+ 10646 WT1 6433 TIP3 H2 HT 0.417000 1.0080 0
+ 10647 WT1 6436 TIP3 OH2 OT -0.834000 15.9994 0
+ 10648 WT1 6436 TIP3 H1 HT 0.417000 1.0080 0
+ 10649 WT1 6436 TIP3 H2 HT 0.417000 1.0080 0
+ 10650 WT1 6439 TIP3 OH2 OT -0.834000 15.9994 0
+ 10651 WT1 6439 TIP3 H1 HT 0.417000 1.0080 0
+ 10652 WT1 6439 TIP3 H2 HT 0.417000 1.0080 0
+ 10653 WT1 6440 TIP3 OH2 OT -0.834000 15.9994 0
+ 10654 WT1 6440 TIP3 H1 HT 0.417000 1.0080 0
+ 10655 WT1 6440 TIP3 H2 HT 0.417000 1.0080 0
+ 10656 WT1 6444 TIP3 OH2 OT -0.834000 15.9994 0
+ 10657 WT1 6444 TIP3 H1 HT 0.417000 1.0080 0
+ 10658 WT1 6444 TIP3 H2 HT 0.417000 1.0080 0
+ 10659 WT1 6445 TIP3 OH2 OT -0.834000 15.9994 0
+ 10660 WT1 6445 TIP3 H1 HT 0.417000 1.0080 0
+ 10661 WT1 6445 TIP3 H2 HT 0.417000 1.0080 0
+ 10662 WT1 6448 TIP3 OH2 OT -0.834000 15.9994 0
+ 10663 WT1 6448 TIP3 H1 HT 0.417000 1.0080 0
+ 10664 WT1 6448 TIP3 H2 HT 0.417000 1.0080 0
+ 10665 WT1 6451 TIP3 OH2 OT -0.834000 15.9994 0
+ 10666 WT1 6451 TIP3 H1 HT 0.417000 1.0080 0
+ 10667 WT1 6451 TIP3 H2 HT 0.417000 1.0080 0
+ 10668 WT1 6452 TIP3 OH2 OT -0.834000 15.9994 0
+ 10669 WT1 6452 TIP3 H1 HT 0.417000 1.0080 0
+ 10670 WT1 6452 TIP3 H2 HT 0.417000 1.0080 0
+ 10671 WT1 6456 TIP3 OH2 OT -0.834000 15.9994 0
+ 10672 WT1 6456 TIP3 H1 HT 0.417000 1.0080 0
+ 10673 WT1 6456 TIP3 H2 HT 0.417000 1.0080 0
+ 10674 WT1 6458 TIP3 OH2 OT -0.834000 15.9994 0
+ 10675 WT1 6458 TIP3 H1 HT 0.417000 1.0080 0
+ 10676 WT1 6458 TIP3 H2 HT 0.417000 1.0080 0
+ 10677 WT1 6459 TIP3 OH2 OT -0.834000 15.9994 0
+ 10678 WT1 6459 TIP3 H1 HT 0.417000 1.0080 0
+ 10679 WT1 6459 TIP3 H2 HT 0.417000 1.0080 0
+ 10680 WT1 6460 TIP3 OH2 OT -0.834000 15.9994 0
+ 10681 WT1 6460 TIP3 H1 HT 0.417000 1.0080 0
+ 10682 WT1 6460 TIP3 H2 HT 0.417000 1.0080 0
+ 10683 WT1 6474 TIP3 OH2 OT -0.834000 15.9994 0
+ 10684 WT1 6474 TIP3 H1 HT 0.417000 1.0080 0
+ 10685 WT1 6474 TIP3 H2 HT 0.417000 1.0080 0
+ 10686 WT1 6476 TIP3 OH2 OT -0.834000 15.9994 0
+ 10687 WT1 6476 TIP3 H1 HT 0.417000 1.0080 0
+ 10688 WT1 6476 TIP3 H2 HT 0.417000 1.0080 0
+ 10689 WT1 6477 TIP3 OH2 OT -0.834000 15.9994 0
+ 10690 WT1 6477 TIP3 H1 HT 0.417000 1.0080 0
+ 10691 WT1 6477 TIP3 H2 HT 0.417000 1.0080 0
+ 10692 WT1 6479 TIP3 OH2 OT -0.834000 15.9994 0
+ 10693 WT1 6479 TIP3 H1 HT 0.417000 1.0080 0
+ 10694 WT1 6479 TIP3 H2 HT 0.417000 1.0080 0
+ 10695 WT1 6483 TIP3 OH2 OT -0.834000 15.9994 0
+ 10696 WT1 6483 TIP3 H1 HT 0.417000 1.0080 0
+ 10697 WT1 6483 TIP3 H2 HT 0.417000 1.0080 0
+ 10698 WT1 6491 TIP3 OH2 OT -0.834000 15.9994 0
+ 10699 WT1 6491 TIP3 H1 HT 0.417000 1.0080 0
+ 10700 WT1 6491 TIP3 H2 HT 0.417000 1.0080 0
+ 10701 WT1 6492 TIP3 OH2 OT -0.834000 15.9994 0
+ 10702 WT1 6492 TIP3 H1 HT 0.417000 1.0080 0
+ 10703 WT1 6492 TIP3 H2 HT 0.417000 1.0080 0
+ 10704 WT1 6493 TIP3 OH2 OT -0.834000 15.9994 0
+ 10705 WT1 6493 TIP3 H1 HT 0.417000 1.0080 0
+ 10706 WT1 6493 TIP3 H2 HT 0.417000 1.0080 0
+ 10707 WT1 6499 TIP3 OH2 OT -0.834000 15.9994 0
+ 10708 WT1 6499 TIP3 H1 HT 0.417000 1.0080 0
+ 10709 WT1 6499 TIP3 H2 HT 0.417000 1.0080 0
+ 10710 WT1 6502 TIP3 OH2 OT -0.834000 15.9994 0
+ 10711 WT1 6502 TIP3 H1 HT 0.417000 1.0080 0
+ 10712 WT1 6502 TIP3 H2 HT 0.417000 1.0080 0
+ 10713 WT1 6504 TIP3 OH2 OT -0.834000 15.9994 0
+ 10714 WT1 6504 TIP3 H1 HT 0.417000 1.0080 0
+ 10715 WT1 6504 TIP3 H2 HT 0.417000 1.0080 0
+ 10716 WT1 6505 TIP3 OH2 OT -0.834000 15.9994 0
+ 10717 WT1 6505 TIP3 H1 HT 0.417000 1.0080 0
+ 10718 WT1 6505 TIP3 H2 HT 0.417000 1.0080 0
+ 10719 WT1 6513 TIP3 OH2 OT -0.834000 15.9994 0
+ 10720 WT1 6513 TIP3 H1 HT 0.417000 1.0080 0
+ 10721 WT1 6513 TIP3 H2 HT 0.417000 1.0080 0
+ 10722 WT1 6516 TIP3 OH2 OT -0.834000 15.9994 0
+ 10723 WT1 6516 TIP3 H1 HT 0.417000 1.0080 0
+ 10724 WT1 6516 TIP3 H2 HT 0.417000 1.0080 0
+ 10725 WT1 6518 TIP3 OH2 OT -0.834000 15.9994 0
+ 10726 WT1 6518 TIP3 H1 HT 0.417000 1.0080 0
+ 10727 WT1 6518 TIP3 H2 HT 0.417000 1.0080 0
+ 10728 WT1 6519 TIP3 OH2 OT -0.834000 15.9994 0
+ 10729 WT1 6519 TIP3 H1 HT 0.417000 1.0080 0
+ 10730 WT1 6519 TIP3 H2 HT 0.417000 1.0080 0
+ 10731 WT1 6525 TIP3 OH2 OT -0.834000 15.9994 0
+ 10732 WT1 6525 TIP3 H1 HT 0.417000 1.0080 0
+ 10733 WT1 6525 TIP3 H2 HT 0.417000 1.0080 0
+ 10734 WT1 6526 TIP3 OH2 OT -0.834000 15.9994 0
+ 10735 WT1 6526 TIP3 H1 HT 0.417000 1.0080 0
+ 10736 WT1 6526 TIP3 H2 HT 0.417000 1.0080 0
+ 10737 WT1 6533 TIP3 OH2 OT -0.834000 15.9994 0
+ 10738 WT1 6533 TIP3 H1 HT 0.417000 1.0080 0
+ 10739 WT1 6533 TIP3 H2 HT 0.417000 1.0080 0
+ 10740 WT1 6539 TIP3 OH2 OT -0.834000 15.9994 0
+ 10741 WT1 6539 TIP3 H1 HT 0.417000 1.0080 0
+ 10742 WT1 6539 TIP3 H2 HT 0.417000 1.0080 0
+ 10743 WT1 6545 TIP3 OH2 OT -0.834000 15.9994 0
+ 10744 WT1 6545 TIP3 H1 HT 0.417000 1.0080 0
+ 10745 WT1 6545 TIP3 H2 HT 0.417000 1.0080 0
+ 10746 WT1 6547 TIP3 OH2 OT -0.834000 15.9994 0
+ 10747 WT1 6547 TIP3 H1 HT 0.417000 1.0080 0
+ 10748 WT1 6547 TIP3 H2 HT 0.417000 1.0080 0
+ 10749 WT1 6551 TIP3 OH2 OT -0.834000 15.9994 0
+ 10750 WT1 6551 TIP3 H1 HT 0.417000 1.0080 0
+ 10751 WT1 6551 TIP3 H2 HT 0.417000 1.0080 0
+ 10752 WT1 6552 TIP3 OH2 OT -0.834000 15.9994 0
+ 10753 WT1 6552 TIP3 H1 HT 0.417000 1.0080 0
+ 10754 WT1 6552 TIP3 H2 HT 0.417000 1.0080 0
+ 10755 WT1 6554 TIP3 OH2 OT -0.834000 15.9994 0
+ 10756 WT1 6554 TIP3 H1 HT 0.417000 1.0080 0
+ 10757 WT1 6554 TIP3 H2 HT 0.417000 1.0080 0
+ 10758 WT1 6556 TIP3 OH2 OT -0.834000 15.9994 0
+ 10759 WT1 6556 TIP3 H1 HT 0.417000 1.0080 0
+ 10760 WT1 6556 TIP3 H2 HT 0.417000 1.0080 0
+ 10761 WT1 6557 TIP3 OH2 OT -0.834000 15.9994 0
+ 10762 WT1 6557 TIP3 H1 HT 0.417000 1.0080 0
+ 10763 WT1 6557 TIP3 H2 HT 0.417000 1.0080 0
+ 10764 WT1 6558 TIP3 OH2 OT -0.834000 15.9994 0
+ 10765 WT1 6558 TIP3 H1 HT 0.417000 1.0080 0
+ 10766 WT1 6558 TIP3 H2 HT 0.417000 1.0080 0
+ 10767 WT1 6561 TIP3 OH2 OT -0.834000 15.9994 0
+ 10768 WT1 6561 TIP3 H1 HT 0.417000 1.0080 0
+ 10769 WT1 6561 TIP3 H2 HT 0.417000 1.0080 0
+ 10770 WT1 6562 TIP3 OH2 OT -0.834000 15.9994 0
+ 10771 WT1 6562 TIP3 H1 HT 0.417000 1.0080 0
+ 10772 WT1 6562 TIP3 H2 HT 0.417000 1.0080 0
+ 10773 WT1 6568 TIP3 OH2 OT -0.834000 15.9994 0
+ 10774 WT1 6568 TIP3 H1 HT 0.417000 1.0080 0
+ 10775 WT1 6568 TIP3 H2 HT 0.417000 1.0080 0
+ 10776 WT1 6575 TIP3 OH2 OT -0.834000 15.9994 0
+ 10777 WT1 6575 TIP3 H1 HT 0.417000 1.0080 0
+ 10778 WT1 6575 TIP3 H2 HT 0.417000 1.0080 0
+ 10779 WT1 6577 TIP3 OH2 OT -0.834000 15.9994 0
+ 10780 WT1 6577 TIP3 H1 HT 0.417000 1.0080 0
+ 10781 WT1 6577 TIP3 H2 HT 0.417000 1.0080 0
+ 10782 WT1 6578 TIP3 OH2 OT -0.834000 15.9994 0
+ 10783 WT1 6578 TIP3 H1 HT 0.417000 1.0080 0
+ 10784 WT1 6578 TIP3 H2 HT 0.417000 1.0080 0
+ 10785 WT1 6582 TIP3 OH2 OT -0.834000 15.9994 0
+ 10786 WT1 6582 TIP3 H1 HT 0.417000 1.0080 0
+ 10787 WT1 6582 TIP3 H2 HT 0.417000 1.0080 0
+ 10788 WT1 6583 TIP3 OH2 OT -0.834000 15.9994 0
+ 10789 WT1 6583 TIP3 H1 HT 0.417000 1.0080 0
+ 10790 WT1 6583 TIP3 H2 HT 0.417000 1.0080 0
+ 10791 WT1 6597 TIP3 OH2 OT -0.834000 15.9994 0
+ 10792 WT1 6597 TIP3 H1 HT 0.417000 1.0080 0
+ 10793 WT1 6597 TIP3 H2 HT 0.417000 1.0080 0
+ 10794 WT1 6598 TIP3 OH2 OT -0.834000 15.9994 0
+ 10795 WT1 6598 TIP3 H1 HT 0.417000 1.0080 0
+ 10796 WT1 6598 TIP3 H2 HT 0.417000 1.0080 0
+ 10797 WT1 6602 TIP3 OH2 OT -0.834000 15.9994 0
+ 10798 WT1 6602 TIP3 H1 HT 0.417000 1.0080 0
+ 10799 WT1 6602 TIP3 H2 HT 0.417000 1.0080 0
+ 10800 WT1 6603 TIP3 OH2 OT -0.834000 15.9994 0
+ 10801 WT1 6603 TIP3 H1 HT 0.417000 1.0080 0
+ 10802 WT1 6603 TIP3 H2 HT 0.417000 1.0080 0
+ 10803 WT1 6605 TIP3 OH2 OT -0.834000 15.9994 0
+ 10804 WT1 6605 TIP3 H1 HT 0.417000 1.0080 0
+ 10805 WT1 6605 TIP3 H2 HT 0.417000 1.0080 0
+ 10806 WT1 6612 TIP3 OH2 OT -0.834000 15.9994 0
+ 10807 WT1 6612 TIP3 H1 HT 0.417000 1.0080 0
+ 10808 WT1 6612 TIP3 H2 HT 0.417000 1.0080 0
+ 10809 WT1 6614 TIP3 OH2 OT -0.834000 15.9994 0
+ 10810 WT1 6614 TIP3 H1 HT 0.417000 1.0080 0
+ 10811 WT1 6614 TIP3 H2 HT 0.417000 1.0080 0
+ 10812 WT1 6615 TIP3 OH2 OT -0.834000 15.9994 0
+ 10813 WT1 6615 TIP3 H1 HT 0.417000 1.0080 0
+ 10814 WT1 6615 TIP3 H2 HT 0.417000 1.0080 0
+ 10815 WT1 6623 TIP3 OH2 OT -0.834000 15.9994 0
+ 10816 WT1 6623 TIP3 H1 HT 0.417000 1.0080 0
+ 10817 WT1 6623 TIP3 H2 HT 0.417000 1.0080 0
+ 10818 WT1 6624 TIP3 OH2 OT -0.834000 15.9994 0
+ 10819 WT1 6624 TIP3 H1 HT 0.417000 1.0080 0
+ 10820 WT1 6624 TIP3 H2 HT 0.417000 1.0080 0
+ 10821 WT1 6626 TIP3 OH2 OT -0.834000 15.9994 0
+ 10822 WT1 6626 TIP3 H1 HT 0.417000 1.0080 0
+ 10823 WT1 6626 TIP3 H2 HT 0.417000 1.0080 0
+ 10824 WT1 6628 TIP3 OH2 OT -0.834000 15.9994 0
+ 10825 WT1 6628 TIP3 H1 HT 0.417000 1.0080 0
+ 10826 WT1 6628 TIP3 H2 HT 0.417000 1.0080 0
+ 10827 WT1 6631 TIP3 OH2 OT -0.834000 15.9994 0
+ 10828 WT1 6631 TIP3 H1 HT 0.417000 1.0080 0
+ 10829 WT1 6631 TIP3 H2 HT 0.417000 1.0080 0
+ 10830 WT1 6642 TIP3 OH2 OT -0.834000 15.9994 0
+ 10831 WT1 6642 TIP3 H1 HT 0.417000 1.0080 0
+ 10832 WT1 6642 TIP3 H2 HT 0.417000 1.0080 0
+ 10833 WT1 6644 TIP3 OH2 OT -0.834000 15.9994 0
+ 10834 WT1 6644 TIP3 H1 HT 0.417000 1.0080 0
+ 10835 WT1 6644 TIP3 H2 HT 0.417000 1.0080 0
+ 10836 WT1 6650 TIP3 OH2 OT -0.834000 15.9994 0
+ 10837 WT1 6650 TIP3 H1 HT 0.417000 1.0080 0
+ 10838 WT1 6650 TIP3 H2 HT 0.417000 1.0080 0
+ 10839 WT1 6657 TIP3 OH2 OT -0.834000 15.9994 0
+ 10840 WT1 6657 TIP3 H1 HT 0.417000 1.0080 0
+ 10841 WT1 6657 TIP3 H2 HT 0.417000 1.0080 0
+ 10842 WT1 6660 TIP3 OH2 OT -0.834000 15.9994 0
+ 10843 WT1 6660 TIP3 H1 HT 0.417000 1.0080 0
+ 10844 WT1 6660 TIP3 H2 HT 0.417000 1.0080 0
+ 10845 WT1 6661 TIP3 OH2 OT -0.834000 15.9994 0
+ 10846 WT1 6661 TIP3 H1 HT 0.417000 1.0080 0
+ 10847 WT1 6661 TIP3 H2 HT 0.417000 1.0080 0
+ 10848 WT1 6663 TIP3 OH2 OT -0.834000 15.9994 0
+ 10849 WT1 6663 TIP3 H1 HT 0.417000 1.0080 0
+ 10850 WT1 6663 TIP3 H2 HT 0.417000 1.0080 0
+ 10851 WT1 6664 TIP3 OH2 OT -0.834000 15.9994 0
+ 10852 WT1 6664 TIP3 H1 HT 0.417000 1.0080 0
+ 10853 WT1 6664 TIP3 H2 HT 0.417000 1.0080 0
+ 10854 WT1 6667 TIP3 OH2 OT -0.834000 15.9994 0
+ 10855 WT1 6667 TIP3 H1 HT 0.417000 1.0080 0
+ 10856 WT1 6667 TIP3 H2 HT 0.417000 1.0080 0
+ 10857 WT1 6669 TIP3 OH2 OT -0.834000 15.9994 0
+ 10858 WT1 6669 TIP3 H1 HT 0.417000 1.0080 0
+ 10859 WT1 6669 TIP3 H2 HT 0.417000 1.0080 0
+ 10860 WT1 6671 TIP3 OH2 OT -0.834000 15.9994 0
+ 10861 WT1 6671 TIP3 H1 HT 0.417000 1.0080 0
+ 10862 WT1 6671 TIP3 H2 HT 0.417000 1.0080 0
+ 10863 WT1 6672 TIP3 OH2 OT -0.834000 15.9994 0
+ 10864 WT1 6672 TIP3 H1 HT 0.417000 1.0080 0
+ 10865 WT1 6672 TIP3 H2 HT 0.417000 1.0080 0
+ 10866 WT1 6679 TIP3 OH2 OT -0.834000 15.9994 0
+ 10867 WT1 6679 TIP3 H1 HT 0.417000 1.0080 0
+ 10868 WT1 6679 TIP3 H2 HT 0.417000 1.0080 0
+ 10869 WT1 6681 TIP3 OH2 OT -0.834000 15.9994 0
+ 10870 WT1 6681 TIP3 H1 HT 0.417000 1.0080 0
+ 10871 WT1 6681 TIP3 H2 HT 0.417000 1.0080 0
+ 10872 WT1 6683 TIP3 OH2 OT -0.834000 15.9994 0
+ 10873 WT1 6683 TIP3 H1 HT 0.417000 1.0080 0
+ 10874 WT1 6683 TIP3 H2 HT 0.417000 1.0080 0
+ 10875 WT1 6684 TIP3 OH2 OT -0.834000 15.9994 0
+ 10876 WT1 6684 TIP3 H1 HT 0.417000 1.0080 0
+ 10877 WT1 6684 TIP3 H2 HT 0.417000 1.0080 0
+ 10878 WT1 6693 TIP3 OH2 OT -0.834000 15.9994 0
+ 10879 WT1 6693 TIP3 H1 HT 0.417000 1.0080 0
+ 10880 WT1 6693 TIP3 H2 HT 0.417000 1.0080 0
+ 10881 WT1 6698 TIP3 OH2 OT -0.834000 15.9994 0
+ 10882 WT1 6698 TIP3 H1 HT 0.417000 1.0080 0
+ 10883 WT1 6698 TIP3 H2 HT 0.417000 1.0080 0
+ 10884 WT1 6703 TIP3 OH2 OT -0.834000 15.9994 0
+ 10885 WT1 6703 TIP3 H1 HT 0.417000 1.0080 0
+ 10886 WT1 6703 TIP3 H2 HT 0.417000 1.0080 0
+ 10887 WT1 6705 TIP3 OH2 OT -0.834000 15.9994 0
+ 10888 WT1 6705 TIP3 H1 HT 0.417000 1.0080 0
+ 10889 WT1 6705 TIP3 H2 HT 0.417000 1.0080 0
+ 10890 WT1 6707 TIP3 OH2 OT -0.834000 15.9994 0
+ 10891 WT1 6707 TIP3 H1 HT 0.417000 1.0080 0
+ 10892 WT1 6707 TIP3 H2 HT 0.417000 1.0080 0
+ 10893 WT1 6708 TIP3 OH2 OT -0.834000 15.9994 0
+ 10894 WT1 6708 TIP3 H1 HT 0.417000 1.0080 0
+ 10895 WT1 6708 TIP3 H2 HT 0.417000 1.0080 0
+ 10896 WT1 6717 TIP3 OH2 OT -0.834000 15.9994 0
+ 10897 WT1 6717 TIP3 H1 HT 0.417000 1.0080 0
+ 10898 WT1 6717 TIP3 H2 HT 0.417000 1.0080 0
+ 10899 WT1 6721 TIP3 OH2 OT -0.834000 15.9994 0
+ 10900 WT1 6721 TIP3 H1 HT 0.417000 1.0080 0
+ 10901 WT1 6721 TIP3 H2 HT 0.417000 1.0080 0
+ 10902 WT1 6722 TIP3 OH2 OT -0.834000 15.9994 0
+ 10903 WT1 6722 TIP3 H1 HT 0.417000 1.0080 0
+ 10904 WT1 6722 TIP3 H2 HT 0.417000 1.0080 0
+ 10905 WT1 6725 TIP3 OH2 OT -0.834000 15.9994 0
+ 10906 WT1 6725 TIP3 H1 HT 0.417000 1.0080 0
+ 10907 WT1 6725 TIP3 H2 HT 0.417000 1.0080 0
+ 10908 WT1 6726 TIP3 OH2 OT -0.834000 15.9994 0
+ 10909 WT1 6726 TIP3 H1 HT 0.417000 1.0080 0
+ 10910 WT1 6726 TIP3 H2 HT 0.417000 1.0080 0
+ 10911 WT1 6727 TIP3 OH2 OT -0.834000 15.9994 0
+ 10912 WT1 6727 TIP3 H1 HT 0.417000 1.0080 0
+ 10913 WT1 6727 TIP3 H2 HT 0.417000 1.0080 0
+ 10914 WT1 6729 TIP3 OH2 OT -0.834000 15.9994 0
+ 10915 WT1 6729 TIP3 H1 HT 0.417000 1.0080 0
+ 10916 WT1 6729 TIP3 H2 HT 0.417000 1.0080 0
+ 10917 WT1 6730 TIP3 OH2 OT -0.834000 15.9994 0
+ 10918 WT1 6730 TIP3 H1 HT 0.417000 1.0080 0
+ 10919 WT1 6730 TIP3 H2 HT 0.417000 1.0080 0
+ 10920 WT1 6735 TIP3 OH2 OT -0.834000 15.9994 0
+ 10921 WT1 6735 TIP3 H1 HT 0.417000 1.0080 0
+ 10922 WT1 6735 TIP3 H2 HT 0.417000 1.0080 0
+ 10923 WT1 6736 TIP3 OH2 OT -0.834000 15.9994 0
+ 10924 WT1 6736 TIP3 H1 HT 0.417000 1.0080 0
+ 10925 WT1 6736 TIP3 H2 HT 0.417000 1.0080 0
+ 10926 WT1 6743 TIP3 OH2 OT -0.834000 15.9994 0
+ 10927 WT1 6743 TIP3 H1 HT 0.417000 1.0080 0
+ 10928 WT1 6743 TIP3 H2 HT 0.417000 1.0080 0
+ 10929 WT1 6750 TIP3 OH2 OT -0.834000 15.9994 0
+ 10930 WT1 6750 TIP3 H1 HT 0.417000 1.0080 0
+ 10931 WT1 6750 TIP3 H2 HT 0.417000 1.0080 0
+ 10932 WT1 6751 TIP3 OH2 OT -0.834000 15.9994 0
+ 10933 WT1 6751 TIP3 H1 HT 0.417000 1.0080 0
+ 10934 WT1 6751 TIP3 H2 HT 0.417000 1.0080 0
+ 10935 WT1 6754 TIP3 OH2 OT -0.834000 15.9994 0
+ 10936 WT1 6754 TIP3 H1 HT 0.417000 1.0080 0
+ 10937 WT1 6754 TIP3 H2 HT 0.417000 1.0080 0
+ 10938 WT1 6758 TIP3 OH2 OT -0.834000 15.9994 0
+ 10939 WT1 6758 TIP3 H1 HT 0.417000 1.0080 0
+ 10940 WT1 6758 TIP3 H2 HT 0.417000 1.0080 0
+ 10941 WT1 6762 TIP3 OH2 OT -0.834000 15.9994 0
+ 10942 WT1 6762 TIP3 H1 HT 0.417000 1.0080 0
+ 10943 WT1 6762 TIP3 H2 HT 0.417000 1.0080 0
+ 10944 WT1 6763 TIP3 OH2 OT -0.834000 15.9994 0
+ 10945 WT1 6763 TIP3 H1 HT 0.417000 1.0080 0
+ 10946 WT1 6763 TIP3 H2 HT 0.417000 1.0080 0
+ 10947 WT1 6773 TIP3 OH2 OT -0.834000 15.9994 0
+ 10948 WT1 6773 TIP3 H1 HT 0.417000 1.0080 0
+ 10949 WT1 6773 TIP3 H2 HT 0.417000 1.0080 0
+ 10950 WT1 6774 TIP3 OH2 OT -0.834000 15.9994 0
+ 10951 WT1 6774 TIP3 H1 HT 0.417000 1.0080 0
+ 10952 WT1 6774 TIP3 H2 HT 0.417000 1.0080 0
+ 10953 WT1 6777 TIP3 OH2 OT -0.834000 15.9994 0
+ 10954 WT1 6777 TIP3 H1 HT 0.417000 1.0080 0
+ 10955 WT1 6777 TIP3 H2 HT 0.417000 1.0080 0
+ 10956 WT1 6788 TIP3 OH2 OT -0.834000 15.9994 0
+ 10957 WT1 6788 TIP3 H1 HT 0.417000 1.0080 0
+ 10958 WT1 6788 TIP3 H2 HT 0.417000 1.0080 0
+ 10959 WT1 6789 TIP3 OH2 OT -0.834000 15.9994 0
+ 10960 WT1 6789 TIP3 H1 HT 0.417000 1.0080 0
+ 10961 WT1 6789 TIP3 H2 HT 0.417000 1.0080 0
+ 10962 WT1 6791 TIP3 OH2 OT -0.834000 15.9994 0
+ 10963 WT1 6791 TIP3 H1 HT 0.417000 1.0080 0
+ 10964 WT1 6791 TIP3 H2 HT 0.417000 1.0080 0
+ 10965 WT1 6794 TIP3 OH2 OT -0.834000 15.9994 0
+ 10966 WT1 6794 TIP3 H1 HT 0.417000 1.0080 0
+ 10967 WT1 6794 TIP3 H2 HT 0.417000 1.0080 0
+ 10968 WT1 6795 TIP3 OH2 OT -0.834000 15.9994 0
+ 10969 WT1 6795 TIP3 H1 HT 0.417000 1.0080 0
+ 10970 WT1 6795 TIP3 H2 HT 0.417000 1.0080 0
+ 10971 WT1 6802 TIP3 OH2 OT -0.834000 15.9994 0
+ 10972 WT1 6802 TIP3 H1 HT 0.417000 1.0080 0
+ 10973 WT1 6802 TIP3 H2 HT 0.417000 1.0080 0
+ 10974 WT1 6803 TIP3 OH2 OT -0.834000 15.9994 0
+ 10975 WT1 6803 TIP3 H1 HT 0.417000 1.0080 0
+ 10976 WT1 6803 TIP3 H2 HT 0.417000 1.0080 0
+ 10977 WT1 6808 TIP3 OH2 OT -0.834000 15.9994 0
+ 10978 WT1 6808 TIP3 H1 HT 0.417000 1.0080 0
+ 10979 WT1 6808 TIP3 H2 HT 0.417000 1.0080 0
+ 10980 WT1 6811 TIP3 OH2 OT -0.834000 15.9994 0
+ 10981 WT1 6811 TIP3 H1 HT 0.417000 1.0080 0
+ 10982 WT1 6811 TIP3 H2 HT 0.417000 1.0080 0
+ 10983 WT1 6813 TIP3 OH2 OT -0.834000 15.9994 0
+ 10984 WT1 6813 TIP3 H1 HT 0.417000 1.0080 0
+ 10985 WT1 6813 TIP3 H2 HT 0.417000 1.0080 0
+ 10986 WT1 6815 TIP3 OH2 OT -0.834000 15.9994 0
+ 10987 WT1 6815 TIP3 H1 HT 0.417000 1.0080 0
+ 10988 WT1 6815 TIP3 H2 HT 0.417000 1.0080 0
+ 10989 WT1 6816 TIP3 OH2 OT -0.834000 15.9994 0
+ 10990 WT1 6816 TIP3 H1 HT 0.417000 1.0080 0
+ 10991 WT1 6816 TIP3 H2 HT 0.417000 1.0080 0
+ 10992 WT1 6817 TIP3 OH2 OT -0.834000 15.9994 0
+ 10993 WT1 6817 TIP3 H1 HT 0.417000 1.0080 0
+ 10994 WT1 6817 TIP3 H2 HT 0.417000 1.0080 0
+ 10995 WT1 6819 TIP3 OH2 OT -0.834000 15.9994 0
+ 10996 WT1 6819 TIP3 H1 HT 0.417000 1.0080 0
+ 10997 WT1 6819 TIP3 H2 HT 0.417000 1.0080 0
+ 10998 WT1 6820 TIP3 OH2 OT -0.834000 15.9994 0
+ 10999 WT1 6820 TIP3 H1 HT 0.417000 1.0080 0
+ 11000 WT1 6820 TIP3 H2 HT 0.417000 1.0080 0
+ 11001 WT1 6830 TIP3 OH2 OT -0.834000 15.9994 0
+ 11002 WT1 6830 TIP3 H1 HT 0.417000 1.0080 0
+ 11003 WT1 6830 TIP3 H2 HT 0.417000 1.0080 0
+ 11004 WT1 6832 TIP3 OH2 OT -0.834000 15.9994 0
+ 11005 WT1 6832 TIP3 H1 HT 0.417000 1.0080 0
+ 11006 WT1 6832 TIP3 H2 HT 0.417000 1.0080 0
+ 11007 WT1 6834 TIP3 OH2 OT -0.834000 15.9994 0
+ 11008 WT1 6834 TIP3 H1 HT 0.417000 1.0080 0
+ 11009 WT1 6834 TIP3 H2 HT 0.417000 1.0080 0
+ 11010 WT1 6835 TIP3 OH2 OT -0.834000 15.9994 0
+ 11011 WT1 6835 TIP3 H1 HT 0.417000 1.0080 0
+ 11012 WT1 6835 TIP3 H2 HT 0.417000 1.0080 0
+ 11013 WT1 6837 TIP3 OH2 OT -0.834000 15.9994 0
+ 11014 WT1 6837 TIP3 H1 HT 0.417000 1.0080 0
+ 11015 WT1 6837 TIP3 H2 HT 0.417000 1.0080 0
+ 11016 WT1 6846 TIP3 OH2 OT -0.834000 15.9994 0
+ 11017 WT1 6846 TIP3 H1 HT 0.417000 1.0080 0
+ 11018 WT1 6846 TIP3 H2 HT 0.417000 1.0080 0
+ 11019 WT1 6848 TIP3 OH2 OT -0.834000 15.9994 0
+ 11020 WT1 6848 TIP3 H1 HT 0.417000 1.0080 0
+ 11021 WT1 6848 TIP3 H2 HT 0.417000 1.0080 0
+ 11022 WT1 6851 TIP3 OH2 OT -0.834000 15.9994 0
+ 11023 WT1 6851 TIP3 H1 HT 0.417000 1.0080 0
+ 11024 WT1 6851 TIP3 H2 HT 0.417000 1.0080 0
+ 11025 WT1 6852 TIP3 OH2 OT -0.834000 15.9994 0
+ 11026 WT1 6852 TIP3 H1 HT 0.417000 1.0080 0
+ 11027 WT1 6852 TIP3 H2 HT 0.417000 1.0080 0
+ 11028 WT1 6854 TIP3 OH2 OT -0.834000 15.9994 0
+ 11029 WT1 6854 TIP3 H1 HT 0.417000 1.0080 0
+ 11030 WT1 6854 TIP3 H2 HT 0.417000 1.0080 0
+ 11031 WT1 6855 TIP3 OH2 OT -0.834000 15.9994 0
+ 11032 WT1 6855 TIP3 H1 HT 0.417000 1.0080 0
+ 11033 WT1 6855 TIP3 H2 HT 0.417000 1.0080 0
+ 11034 WT1 6859 TIP3 OH2 OT -0.834000 15.9994 0
+ 11035 WT1 6859 TIP3 H1 HT 0.417000 1.0080 0
+ 11036 WT1 6859 TIP3 H2 HT 0.417000 1.0080 0
+ 11037 WT1 6867 TIP3 OH2 OT -0.834000 15.9994 0
+ 11038 WT1 6867 TIP3 H1 HT 0.417000 1.0080 0
+ 11039 WT1 6867 TIP3 H2 HT 0.417000 1.0080 0
+ 11040 WT1 6877 TIP3 OH2 OT -0.834000 15.9994 0
+ 11041 WT1 6877 TIP3 H1 HT 0.417000 1.0080 0
+ 11042 WT1 6877 TIP3 H2 HT 0.417000 1.0080 0
+ 11043 WT1 6882 TIP3 OH2 OT -0.834000 15.9994 0
+ 11044 WT1 6882 TIP3 H1 HT 0.417000 1.0080 0
+ 11045 WT1 6882 TIP3 H2 HT 0.417000 1.0080 0
+ 11046 WT1 6887 TIP3 OH2 OT -0.834000 15.9994 0
+ 11047 WT1 6887 TIP3 H1 HT 0.417000 1.0080 0
+ 11048 WT1 6887 TIP3 H2 HT 0.417000 1.0080 0
+ 11049 WT1 6889 TIP3 OH2 OT -0.834000 15.9994 0
+ 11050 WT1 6889 TIP3 H1 HT 0.417000 1.0080 0
+ 11051 WT1 6889 TIP3 H2 HT 0.417000 1.0080 0
+ 11052 WT1 6894 TIP3 OH2 OT -0.834000 15.9994 0
+ 11053 WT1 6894 TIP3 H1 HT 0.417000 1.0080 0
+ 11054 WT1 6894 TIP3 H2 HT 0.417000 1.0080 0
+ 11055 WT1 6897 TIP3 OH2 OT -0.834000 15.9994 0
+ 11056 WT1 6897 TIP3 H1 HT 0.417000 1.0080 0
+ 11057 WT1 6897 TIP3 H2 HT 0.417000 1.0080 0
+ 11058 WT1 6901 TIP3 OH2 OT -0.834000 15.9994 0
+ 11059 WT1 6901 TIP3 H1 HT 0.417000 1.0080 0
+ 11060 WT1 6901 TIP3 H2 HT 0.417000 1.0080 0
+ 11061 WT1 6902 TIP3 OH2 OT -0.834000 15.9994 0
+ 11062 WT1 6902 TIP3 H1 HT 0.417000 1.0080 0
+ 11063 WT1 6902 TIP3 H2 HT 0.417000 1.0080 0
+ 11064 WT1 6917 TIP3 OH2 OT -0.834000 15.9994 0
+ 11065 WT1 6917 TIP3 H1 HT 0.417000 1.0080 0
+ 11066 WT1 6917 TIP3 H2 HT 0.417000 1.0080 0
+ 11067 WT1 6918 TIP3 OH2 OT -0.834000 15.9994 0
+ 11068 WT1 6918 TIP3 H1 HT 0.417000 1.0080 0
+ 11069 WT1 6918 TIP3 H2 HT 0.417000 1.0080 0
+ 11070 WT1 6928 TIP3 OH2 OT -0.834000 15.9994 0
+ 11071 WT1 6928 TIP3 H1 HT 0.417000 1.0080 0
+ 11072 WT1 6928 TIP3 H2 HT 0.417000 1.0080 0
+ 11073 WT1 6930 TIP3 OH2 OT -0.834000 15.9994 0
+ 11074 WT1 6930 TIP3 H1 HT 0.417000 1.0080 0
+ 11075 WT1 6930 TIP3 H2 HT 0.417000 1.0080 0
+ 11076 WT1 6939 TIP3 OH2 OT -0.834000 15.9994 0
+ 11077 WT1 6939 TIP3 H1 HT 0.417000 1.0080 0
+ 11078 WT1 6939 TIP3 H2 HT 0.417000 1.0080 0
+ 11079 WT1 6942 TIP3 OH2 OT -0.834000 15.9994 0
+ 11080 WT1 6942 TIP3 H1 HT 0.417000 1.0080 0
+ 11081 WT1 6942 TIP3 H2 HT 0.417000 1.0080 0
+ 11082 WT1 6952 TIP3 OH2 OT -0.834000 15.9994 0
+ 11083 WT1 6952 TIP3 H1 HT 0.417000 1.0080 0
+ 11084 WT1 6952 TIP3 H2 HT 0.417000 1.0080 0
+ 11085 WT1 6954 TIP3 OH2 OT -0.834000 15.9994 0
+ 11086 WT1 6954 TIP3 H1 HT 0.417000 1.0080 0
+ 11087 WT1 6954 TIP3 H2 HT 0.417000 1.0080 0
+ 11088 WT1 6956 TIP3 OH2 OT -0.834000 15.9994 0
+ 11089 WT1 6956 TIP3 H1 HT 0.417000 1.0080 0
+ 11090 WT1 6956 TIP3 H2 HT 0.417000 1.0080 0
+ 11091 WT1 6957 TIP3 OH2 OT -0.834000 15.9994 0
+ 11092 WT1 6957 TIP3 H1 HT 0.417000 1.0080 0
+ 11093 WT1 6957 TIP3 H2 HT 0.417000 1.0080 0
+ 11094 WT1 6960 TIP3 OH2 OT -0.834000 15.9994 0
+ 11095 WT1 6960 TIP3 H1 HT 0.417000 1.0080 0
+ 11096 WT1 6960 TIP3 H2 HT 0.417000 1.0080 0
+ 11097 WT1 6961 TIP3 OH2 OT -0.834000 15.9994 0
+ 11098 WT1 6961 TIP3 H1 HT 0.417000 1.0080 0
+ 11099 WT1 6961 TIP3 H2 HT 0.417000 1.0080 0
+ 11100 WT1 6962 TIP3 OH2 OT -0.834000 15.9994 0
+ 11101 WT1 6962 TIP3 H1 HT 0.417000 1.0080 0
+ 11102 WT1 6962 TIP3 H2 HT 0.417000 1.0080 0
+ 11103 WT1 6968 TIP3 OH2 OT -0.834000 15.9994 0
+ 11104 WT1 6968 TIP3 H1 HT 0.417000 1.0080 0
+ 11105 WT1 6968 TIP3 H2 HT 0.417000 1.0080 0
+ 11106 WT1 6975 TIP3 OH2 OT -0.834000 15.9994 0
+ 11107 WT1 6975 TIP3 H1 HT 0.417000 1.0080 0
+ 11108 WT1 6975 TIP3 H2 HT 0.417000 1.0080 0
+ 11109 WT1 6979 TIP3 OH2 OT -0.834000 15.9994 0
+ 11110 WT1 6979 TIP3 H1 HT 0.417000 1.0080 0
+ 11111 WT1 6979 TIP3 H2 HT 0.417000 1.0080 0
+ 11112 WT1 6980 TIP3 OH2 OT -0.834000 15.9994 0
+ 11113 WT1 6980 TIP3 H1 HT 0.417000 1.0080 0
+ 11114 WT1 6980 TIP3 H2 HT 0.417000 1.0080 0
+ 11115 WT1 6984 TIP3 OH2 OT -0.834000 15.9994 0
+ 11116 WT1 6984 TIP3 H1 HT 0.417000 1.0080 0
+ 11117 WT1 6984 TIP3 H2 HT 0.417000 1.0080 0
+ 11118 WT1 6986 TIP3 OH2 OT -0.834000 15.9994 0
+ 11119 WT1 6986 TIP3 H1 HT 0.417000 1.0080 0
+ 11120 WT1 6986 TIP3 H2 HT 0.417000 1.0080 0
+ 11121 WT1 6991 TIP3 OH2 OT -0.834000 15.9994 0
+ 11122 WT1 6991 TIP3 H1 HT 0.417000 1.0080 0
+ 11123 WT1 6991 TIP3 H2 HT 0.417000 1.0080 0
+ 11124 WT1 6995 TIP3 OH2 OT -0.834000 15.9994 0
+ 11125 WT1 6995 TIP3 H1 HT 0.417000 1.0080 0
+ 11126 WT1 6995 TIP3 H2 HT 0.417000 1.0080 0
+ 11127 WT1 7000 TIP3 OH2 OT -0.834000 15.9994 0
+ 11128 WT1 7000 TIP3 H1 HT 0.417000 1.0080 0
+ 11129 WT1 7000 TIP3 H2 HT 0.417000 1.0080 0
+ 11130 WT1 7014 TIP3 OH2 OT -0.834000 15.9994 0
+ 11131 WT1 7014 TIP3 H1 HT 0.417000 1.0080 0
+ 11132 WT1 7014 TIP3 H2 HT 0.417000 1.0080 0
+ 11133 WT1 7015 TIP3 OH2 OT -0.834000 15.9994 0
+ 11134 WT1 7015 TIP3 H1 HT 0.417000 1.0080 0
+ 11135 WT1 7015 TIP3 H2 HT 0.417000 1.0080 0
+ 11136 WT1 7017 TIP3 OH2 OT -0.834000 15.9994 0
+ 11137 WT1 7017 TIP3 H1 HT 0.417000 1.0080 0
+ 11138 WT1 7017 TIP3 H2 HT 0.417000 1.0080 0
+ 11139 WT1 7018 TIP3 OH2 OT -0.834000 15.9994 0
+ 11140 WT1 7018 TIP3 H1 HT 0.417000 1.0080 0
+ 11141 WT1 7018 TIP3 H2 HT 0.417000 1.0080 0
+ 11142 WT1 7019 TIP3 OH2 OT -0.834000 15.9994 0
+ 11143 WT1 7019 TIP3 H1 HT 0.417000 1.0080 0
+ 11144 WT1 7019 TIP3 H2 HT 0.417000 1.0080 0
+ 11145 WT1 7021 TIP3 OH2 OT -0.834000 15.9994 0
+ 11146 WT1 7021 TIP3 H1 HT 0.417000 1.0080 0
+ 11147 WT1 7021 TIP3 H2 HT 0.417000 1.0080 0
+ 11148 WT1 7022 TIP3 OH2 OT -0.834000 15.9994 0
+ 11149 WT1 7022 TIP3 H1 HT 0.417000 1.0080 0
+ 11150 WT1 7022 TIP3 H2 HT 0.417000 1.0080 0
+ 11151 WT1 7024 TIP3 OH2 OT -0.834000 15.9994 0
+ 11152 WT1 7024 TIP3 H1 HT 0.417000 1.0080 0
+ 11153 WT1 7024 TIP3 H2 HT 0.417000 1.0080 0
+ 11154 WT1 7027 TIP3 OH2 OT -0.834000 15.9994 0
+ 11155 WT1 7027 TIP3 H1 HT 0.417000 1.0080 0
+ 11156 WT1 7027 TIP3 H2 HT 0.417000 1.0080 0
+ 11157 WT1 7041 TIP3 OH2 OT -0.834000 15.9994 0
+ 11158 WT1 7041 TIP3 H1 HT 0.417000 1.0080 0
+ 11159 WT1 7041 TIP3 H2 HT 0.417000 1.0080 0
+ 11160 WT1 7044 TIP3 OH2 OT -0.834000 15.9994 0
+ 11161 WT1 7044 TIP3 H1 HT 0.417000 1.0080 0
+ 11162 WT1 7044 TIP3 H2 HT 0.417000 1.0080 0
+ 11163 WT1 7045 TIP3 OH2 OT -0.834000 15.9994 0
+ 11164 WT1 7045 TIP3 H1 HT 0.417000 1.0080 0
+ 11165 WT1 7045 TIP3 H2 HT 0.417000 1.0080 0
+ 11166 WT1 7046 TIP3 OH2 OT -0.834000 15.9994 0
+ 11167 WT1 7046 TIP3 H1 HT 0.417000 1.0080 0
+ 11168 WT1 7046 TIP3 H2 HT 0.417000 1.0080 0
+ 11169 WT1 7052 TIP3 OH2 OT -0.834000 15.9994 0
+ 11170 WT1 7052 TIP3 H1 HT 0.417000 1.0080 0
+ 11171 WT1 7052 TIP3 H2 HT 0.417000 1.0080 0
+ 11172 WT1 7058 TIP3 OH2 OT -0.834000 15.9994 0
+ 11173 WT1 7058 TIP3 H1 HT 0.417000 1.0080 0
+ 11174 WT1 7058 TIP3 H2 HT 0.417000 1.0080 0
+ 11175 WT1 7061 TIP3 OH2 OT -0.834000 15.9994 0
+ 11176 WT1 7061 TIP3 H1 HT 0.417000 1.0080 0
+ 11177 WT1 7061 TIP3 H2 HT 0.417000 1.0080 0
+ 11178 WT1 7062 TIP3 OH2 OT -0.834000 15.9994 0
+ 11179 WT1 7062 TIP3 H1 HT 0.417000 1.0080 0
+ 11180 WT1 7062 TIP3 H2 HT 0.417000 1.0080 0
+ 11181 WT1 7067 TIP3 OH2 OT -0.834000 15.9994 0
+ 11182 WT1 7067 TIP3 H1 HT 0.417000 1.0080 0
+ 11183 WT1 7067 TIP3 H2 HT 0.417000 1.0080 0
+ 11184 WT1 7068 TIP3 OH2 OT -0.834000 15.9994 0
+ 11185 WT1 7068 TIP3 H1 HT 0.417000 1.0080 0
+ 11186 WT1 7068 TIP3 H2 HT 0.417000 1.0080 0
+ 11187 WT1 7078 TIP3 OH2 OT -0.834000 15.9994 0
+ 11188 WT1 7078 TIP3 H1 HT 0.417000 1.0080 0
+ 11189 WT1 7078 TIP3 H2 HT 0.417000 1.0080 0
+ 11190 WT1 7088 TIP3 OH2 OT -0.834000 15.9994 0
+ 11191 WT1 7088 TIP3 H1 HT 0.417000 1.0080 0
+ 11192 WT1 7088 TIP3 H2 HT 0.417000 1.0080 0
+ 11193 WT1 7099 TIP3 OH2 OT -0.834000 15.9994 0
+ 11194 WT1 7099 TIP3 H1 HT 0.417000 1.0080 0
+ 11195 WT1 7099 TIP3 H2 HT 0.417000 1.0080 0
+ 11196 WT1 7105 TIP3 OH2 OT -0.834000 15.9994 0
+ 11197 WT1 7105 TIP3 H1 HT 0.417000 1.0080 0
+ 11198 WT1 7105 TIP3 H2 HT 0.417000 1.0080 0
+ 11199 WT1 7109 TIP3 OH2 OT -0.834000 15.9994 0
+ 11200 WT1 7109 TIP3 H1 HT 0.417000 1.0080 0
+ 11201 WT1 7109 TIP3 H2 HT 0.417000 1.0080 0
+ 11202 WT1 7121 TIP3 OH2 OT -0.834000 15.9994 0
+ 11203 WT1 7121 TIP3 H1 HT 0.417000 1.0080 0
+ 11204 WT1 7121 TIP3 H2 HT 0.417000 1.0080 0
+ 11205 WT1 7122 TIP3 OH2 OT -0.834000 15.9994 0
+ 11206 WT1 7122 TIP3 H1 HT 0.417000 1.0080 0
+ 11207 WT1 7122 TIP3 H2 HT 0.417000 1.0080 0
+ 11208 WT1 7123 TIP3 OH2 OT -0.834000 15.9994 0
+ 11209 WT1 7123 TIP3 H1 HT 0.417000 1.0080 0
+ 11210 WT1 7123 TIP3 H2 HT 0.417000 1.0080 0
+ 11211 WT1 7125 TIP3 OH2 OT -0.834000 15.9994 0
+ 11212 WT1 7125 TIP3 H1 HT 0.417000 1.0080 0
+ 11213 WT1 7125 TIP3 H2 HT 0.417000 1.0080 0
+ 11214 WT1 7126 TIP3 OH2 OT -0.834000 15.9994 0
+ 11215 WT1 7126 TIP3 H1 HT 0.417000 1.0080 0
+ 11216 WT1 7126 TIP3 H2 HT 0.417000 1.0080 0
+ 11217 WT1 7130 TIP3 OH2 OT -0.834000 15.9994 0
+ 11218 WT1 7130 TIP3 H1 HT 0.417000 1.0080 0
+ 11219 WT1 7130 TIP3 H2 HT 0.417000 1.0080 0
+ 11220 WT1 7132 TIP3 OH2 OT -0.834000 15.9994 0
+ 11221 WT1 7132 TIP3 H1 HT 0.417000 1.0080 0
+ 11222 WT1 7132 TIP3 H2 HT 0.417000 1.0080 0
+ 11223 WT1 7133 TIP3 OH2 OT -0.834000 15.9994 0
+ 11224 WT1 7133 TIP3 H1 HT 0.417000 1.0080 0
+ 11225 WT1 7133 TIP3 H2 HT 0.417000 1.0080 0
+ 11226 WT1 7145 TIP3 OH2 OT -0.834000 15.9994 0
+ 11227 WT1 7145 TIP3 H1 HT 0.417000 1.0080 0
+ 11228 WT1 7145 TIP3 H2 HT 0.417000 1.0080 0
+ 11229 WT1 7147 TIP3 OH2 OT -0.834000 15.9994 0
+ 11230 WT1 7147 TIP3 H1 HT 0.417000 1.0080 0
+ 11231 WT1 7147 TIP3 H2 HT 0.417000 1.0080 0
+ 11232 WT1 7166 TIP3 OH2 OT -0.834000 15.9994 0
+ 11233 WT1 7166 TIP3 H1 HT 0.417000 1.0080 0
+ 11234 WT1 7166 TIP3 H2 HT 0.417000 1.0080 0
+ 11235 WT1 7168 TIP3 OH2 OT -0.834000 15.9994 0
+ 11236 WT1 7168 TIP3 H1 HT 0.417000 1.0080 0
+ 11237 WT1 7168 TIP3 H2 HT 0.417000 1.0080 0
+ 11238 WT1 7170 TIP3 OH2 OT -0.834000 15.9994 0
+ 11239 WT1 7170 TIP3 H1 HT 0.417000 1.0080 0
+ 11240 WT1 7170 TIP3 H2 HT 0.417000 1.0080 0
+ 11241 WT1 7171 TIP3 OH2 OT -0.834000 15.9994 0
+ 11242 WT1 7171 TIP3 H1 HT 0.417000 1.0080 0
+ 11243 WT1 7171 TIP3 H2 HT 0.417000 1.0080 0
+ 11244 WT1 7174 TIP3 OH2 OT -0.834000 15.9994 0
+ 11245 WT1 7174 TIP3 H1 HT 0.417000 1.0080 0
+ 11246 WT1 7174 TIP3 H2 HT 0.417000 1.0080 0
+ 11247 WT1 7176 TIP3 OH2 OT -0.834000 15.9994 0
+ 11248 WT1 7176 TIP3 H1 HT 0.417000 1.0080 0
+ 11249 WT1 7176 TIP3 H2 HT 0.417000 1.0080 0
+ 11250 WT1 7182 TIP3 OH2 OT -0.834000 15.9994 0
+ 11251 WT1 7182 TIP3 H1 HT 0.417000 1.0080 0
+ 11252 WT1 7182 TIP3 H2 HT 0.417000 1.0080 0
+ 11253 WT1 7185 TIP3 OH2 OT -0.834000 15.9994 0
+ 11254 WT1 7185 TIP3 H1 HT 0.417000 1.0080 0
+ 11255 WT1 7185 TIP3 H2 HT 0.417000 1.0080 0
+ 11256 WT1 7192 TIP3 OH2 OT -0.834000 15.9994 0
+ 11257 WT1 7192 TIP3 H1 HT 0.417000 1.0080 0
+ 11258 WT1 7192 TIP3 H2 HT 0.417000 1.0080 0
+ 11259 WT1 7193 TIP3 OH2 OT -0.834000 15.9994 0
+ 11260 WT1 7193 TIP3 H1 HT 0.417000 1.0080 0
+ 11261 WT1 7193 TIP3 H2 HT 0.417000 1.0080 0
+ 11262 WT1 7196 TIP3 OH2 OT -0.834000 15.9994 0
+ 11263 WT1 7196 TIP3 H1 HT 0.417000 1.0080 0
+ 11264 WT1 7196 TIP3 H2 HT 0.417000 1.0080 0
+ 11265 WT1 7198 TIP3 OH2 OT -0.834000 15.9994 0
+ 11266 WT1 7198 TIP3 H1 HT 0.417000 1.0080 0
+ 11267 WT1 7198 TIP3 H2 HT 0.417000 1.0080 0
+ 11268 WT1 7203 TIP3 OH2 OT -0.834000 15.9994 0
+ 11269 WT1 7203 TIP3 H1 HT 0.417000 1.0080 0
+ 11270 WT1 7203 TIP3 H2 HT 0.417000 1.0080 0
+ 11271 WT1 7210 TIP3 OH2 OT -0.834000 15.9994 0
+ 11272 WT1 7210 TIP3 H1 HT 0.417000 1.0080 0
+ 11273 WT1 7210 TIP3 H2 HT 0.417000 1.0080 0
+ 11274 WT1 7215 TIP3 OH2 OT -0.834000 15.9994 0
+ 11275 WT1 7215 TIP3 H1 HT 0.417000 1.0080 0
+ 11276 WT1 7215 TIP3 H2 HT 0.417000 1.0080 0
+ 11277 WT1 7216 TIP3 OH2 OT -0.834000 15.9994 0
+ 11278 WT1 7216 TIP3 H1 HT 0.417000 1.0080 0
+ 11279 WT1 7216 TIP3 H2 HT 0.417000 1.0080 0
+ 11280 WT1 7218 TIP3 OH2 OT -0.834000 15.9994 0
+ 11281 WT1 7218 TIP3 H1 HT 0.417000 1.0080 0
+ 11282 WT1 7218 TIP3 H2 HT 0.417000 1.0080 0
+ 11283 WT1 7222 TIP3 OH2 OT -0.834000 15.9994 0
+ 11284 WT1 7222 TIP3 H1 HT 0.417000 1.0080 0
+ 11285 WT1 7222 TIP3 H2 HT 0.417000 1.0080 0
+ 11286 WT1 7231 TIP3 OH2 OT -0.834000 15.9994 0
+ 11287 WT1 7231 TIP3 H1 HT 0.417000 1.0080 0
+ 11288 WT1 7231 TIP3 H2 HT 0.417000 1.0080 0
+ 11289 WT1 7253 TIP3 OH2 OT -0.834000 15.9994 0
+ 11290 WT1 7253 TIP3 H1 HT 0.417000 1.0080 0
+ 11291 WT1 7253 TIP3 H2 HT 0.417000 1.0080 0
+ 11292 WT1 7257 TIP3 OH2 OT -0.834000 15.9994 0
+ 11293 WT1 7257 TIP3 H1 HT 0.417000 1.0080 0
+ 11294 WT1 7257 TIP3 H2 HT 0.417000 1.0080 0
+ 11295 WT1 7262 TIP3 OH2 OT -0.834000 15.9994 0
+ 11296 WT1 7262 TIP3 H1 HT 0.417000 1.0080 0
+ 11297 WT1 7262 TIP3 H2 HT 0.417000 1.0080 0
+ 11298 WT1 7271 TIP3 OH2 OT -0.834000 15.9994 0
+ 11299 WT1 7271 TIP3 H1 HT 0.417000 1.0080 0
+ 11300 WT1 7271 TIP3 H2 HT 0.417000 1.0080 0
+ 11301 WT1 7274 TIP3 OH2 OT -0.834000 15.9994 0
+ 11302 WT1 7274 TIP3 H1 HT 0.417000 1.0080 0
+ 11303 WT1 7274 TIP3 H2 HT 0.417000 1.0080 0
+ 11304 WT1 7295 TIP3 OH2 OT -0.834000 15.9994 0
+ 11305 WT1 7295 TIP3 H1 HT 0.417000 1.0080 0
+ 11306 WT1 7295 TIP3 H2 HT 0.417000 1.0080 0
+ 11307 WT1 7296 TIP3 OH2 OT -0.834000 15.9994 0
+ 11308 WT1 7296 TIP3 H1 HT 0.417000 1.0080 0
+ 11309 WT1 7296 TIP3 H2 HT 0.417000 1.0080 0
+ 11310 WT1 7305 TIP3 OH2 OT -0.834000 15.9994 0
+ 11311 WT1 7305 TIP3 H1 HT 0.417000 1.0080 0
+ 11312 WT1 7305 TIP3 H2 HT 0.417000 1.0080 0
+ 11313 WT1 7312 TIP3 OH2 OT -0.834000 15.9994 0
+ 11314 WT1 7312 TIP3 H1 HT 0.417000 1.0080 0
+ 11315 WT1 7312 TIP3 H2 HT 0.417000 1.0080 0
+ 11316 WT1 7314 TIP3 OH2 OT -0.834000 15.9994 0
+ 11317 WT1 7314 TIP3 H1 HT 0.417000 1.0080 0
+ 11318 WT1 7314 TIP3 H2 HT 0.417000 1.0080 0
+ 11319 WT1 7316 TIP3 OH2 OT -0.834000 15.9994 0
+ 11320 WT1 7316 TIP3 H1 HT 0.417000 1.0080 0
+ 11321 WT1 7316 TIP3 H2 HT 0.417000 1.0080 0
+ 11322 WT1 7321 TIP3 OH2 OT -0.834000 15.9994 0
+ 11323 WT1 7321 TIP3 H1 HT 0.417000 1.0080 0
+ 11324 WT1 7321 TIP3 H2 HT 0.417000 1.0080 0
+ 11325 WT1 7331 TIP3 OH2 OT -0.834000 15.9994 0
+ 11326 WT1 7331 TIP3 H1 HT 0.417000 1.0080 0
+ 11327 WT1 7331 TIP3 H2 HT 0.417000 1.0080 0
+ 11328 WT1 7335 TIP3 OH2 OT -0.834000 15.9994 0
+ 11329 WT1 7335 TIP3 H1 HT 0.417000 1.0080 0
+ 11330 WT1 7335 TIP3 H2 HT 0.417000 1.0080 0
+ 11331 WT1 7351 TIP3 OH2 OT -0.834000 15.9994 0
+ 11332 WT1 7351 TIP3 H1 HT 0.417000 1.0080 0
+ 11333 WT1 7351 TIP3 H2 HT 0.417000 1.0080 0
+ 11334 WT1 7352 TIP3 OH2 OT -0.834000 15.9994 0
+ 11335 WT1 7352 TIP3 H1 HT 0.417000 1.0080 0
+ 11336 WT1 7352 TIP3 H2 HT 0.417000 1.0080 0
+ 11337 WT1 7355 TIP3 OH2 OT -0.834000 15.9994 0
+ 11338 WT1 7355 TIP3 H1 HT 0.417000 1.0080 0
+ 11339 WT1 7355 TIP3 H2 HT 0.417000 1.0080 0
+ 11340 WT1 7374 TIP3 OH2 OT -0.834000 15.9994 0
+ 11341 WT1 7374 TIP3 H1 HT 0.417000 1.0080 0
+ 11342 WT1 7374 TIP3 H2 HT 0.417000 1.0080 0
+ 11343 WT1 7384 TIP3 OH2 OT -0.834000 15.9994 0
+ 11344 WT1 7384 TIP3 H1 HT 0.417000 1.0080 0
+ 11345 WT1 7384 TIP3 H2 HT 0.417000 1.0080 0
+ 11346 WT1 7386 TIP3 OH2 OT -0.834000 15.9994 0
+ 11347 WT1 7386 TIP3 H1 HT 0.417000 1.0080 0
+ 11348 WT1 7386 TIP3 H2 HT 0.417000 1.0080 0
+ 11349 WT1 7395 TIP3 OH2 OT -0.834000 15.9994 0
+ 11350 WT1 7395 TIP3 H1 HT 0.417000 1.0080 0
+ 11351 WT1 7395 TIP3 H2 HT 0.417000 1.0080 0
+ 11352 WT1 7396 TIP3 OH2 OT -0.834000 15.9994 0
+ 11353 WT1 7396 TIP3 H1 HT 0.417000 1.0080 0
+ 11354 WT1 7396 TIP3 H2 HT 0.417000 1.0080 0
+ 11355 WT1 7397 TIP3 OH2 OT -0.834000 15.9994 0
+ 11356 WT1 7397 TIP3 H1 HT 0.417000 1.0080 0
+ 11357 WT1 7397 TIP3 H2 HT 0.417000 1.0080 0
+ 11358 WT1 7398 TIP3 OH2 OT -0.834000 15.9994 0
+ 11359 WT1 7398 TIP3 H1 HT 0.417000 1.0080 0
+ 11360 WT1 7398 TIP3 H2 HT 0.417000 1.0080 0
+ 11361 WT1 7400 TIP3 OH2 OT -0.834000 15.9994 0
+ 11362 WT1 7400 TIP3 H1 HT 0.417000 1.0080 0
+ 11363 WT1 7400 TIP3 H2 HT 0.417000 1.0080 0
+ 11364 WT1 7402 TIP3 OH2 OT -0.834000 15.9994 0
+ 11365 WT1 7402 TIP3 H1 HT 0.417000 1.0080 0
+ 11366 WT1 7402 TIP3 H2 HT 0.417000 1.0080 0
+ 11367 WT1 7405 TIP3 OH2 OT -0.834000 15.9994 0
+ 11368 WT1 7405 TIP3 H1 HT 0.417000 1.0080 0
+ 11369 WT1 7405 TIP3 H2 HT 0.417000 1.0080 0
+ 11370 WT1 7420 TIP3 OH2 OT -0.834000 15.9994 0
+ 11371 WT1 7420 TIP3 H1 HT 0.417000 1.0080 0
+ 11372 WT1 7420 TIP3 H2 HT 0.417000 1.0080 0
+ 11373 WT1 7425 TIP3 OH2 OT -0.834000 15.9994 0
+ 11374 WT1 7425 TIP3 H1 HT 0.417000 1.0080 0
+ 11375 WT1 7425 TIP3 H2 HT 0.417000 1.0080 0
+ 11376 WT1 7437 TIP3 OH2 OT -0.834000 15.9994 0
+ 11377 WT1 7437 TIP3 H1 HT 0.417000 1.0080 0
+ 11378 WT1 7437 TIP3 H2 HT 0.417000 1.0080 0
+ 11379 WT1 7438 TIP3 OH2 OT -0.834000 15.9994 0
+ 11380 WT1 7438 TIP3 H1 HT 0.417000 1.0080 0
+ 11381 WT1 7438 TIP3 H2 HT 0.417000 1.0080 0
+ 11382 WT1 7444 TIP3 OH2 OT -0.834000 15.9994 0
+ 11383 WT1 7444 TIP3 H1 HT 0.417000 1.0080 0
+ 11384 WT1 7444 TIP3 H2 HT 0.417000 1.0080 0
+ 11385 WT1 7446 TIP3 OH2 OT -0.834000 15.9994 0
+ 11386 WT1 7446 TIP3 H1 HT 0.417000 1.0080 0
+ 11387 WT1 7446 TIP3 H2 HT 0.417000 1.0080 0
+ 11388 WT1 7449 TIP3 OH2 OT -0.834000 15.9994 0
+ 11389 WT1 7449 TIP3 H1 HT 0.417000 1.0080 0
+ 11390 WT1 7449 TIP3 H2 HT 0.417000 1.0080 0
+ 11391 WT1 7479 TIP3 OH2 OT -0.834000 15.9994 0
+ 11392 WT1 7479 TIP3 H1 HT 0.417000 1.0080 0
+ 11393 WT1 7479 TIP3 H2 HT 0.417000 1.0080 0
+ 11394 WT1 7481 TIP3 OH2 OT -0.834000 15.9994 0
+ 11395 WT1 7481 TIP3 H1 HT 0.417000 1.0080 0
+ 11396 WT1 7481 TIP3 H2 HT 0.417000 1.0080 0
+ 11397 WT1 7488 TIP3 OH2 OT -0.834000 15.9994 0
+ 11398 WT1 7488 TIP3 H1 HT 0.417000 1.0080 0
+ 11399 WT1 7488 TIP3 H2 HT 0.417000 1.0080 0
+ 11400 WT1 7501 TIP3 OH2 OT -0.834000 15.9994 0
+ 11401 WT1 7501 TIP3 H1 HT 0.417000 1.0080 0
+ 11402 WT1 7501 TIP3 H2 HT 0.417000 1.0080 0
+ 11403 WT1 7510 TIP3 OH2 OT -0.834000 15.9994 0
+ 11404 WT1 7510 TIP3 H1 HT 0.417000 1.0080 0
+ 11405 WT1 7510 TIP3 H2 HT 0.417000 1.0080 0
+ 11406 WT1 7525 TIP3 OH2 OT -0.834000 15.9994 0
+ 11407 WT1 7525 TIP3 H1 HT 0.417000 1.0080 0
+ 11408 WT1 7525 TIP3 H2 HT 0.417000 1.0080 0
+ 11409 WT1 7532 TIP3 OH2 OT -0.834000 15.9994 0
+ 11410 WT1 7532 TIP3 H1 HT 0.417000 1.0080 0
+ 11411 WT1 7532 TIP3 H2 HT 0.417000 1.0080 0
+ 11412 WT1 7543 TIP3 OH2 OT -0.834000 15.9994 0
+ 11413 WT1 7543 TIP3 H1 HT 0.417000 1.0080 0
+ 11414 WT1 7543 TIP3 H2 HT 0.417000 1.0080 0
+ 11415 WT1 7546 TIP3 OH2 OT -0.834000 15.9994 0
+ 11416 WT1 7546 TIP3 H1 HT 0.417000 1.0080 0
+ 11417 WT1 7546 TIP3 H2 HT 0.417000 1.0080 0
+ 11418 WT1 7557 TIP3 OH2 OT -0.834000 15.9994 0
+ 11419 WT1 7557 TIP3 H1 HT 0.417000 1.0080 0
+ 11420 WT1 7557 TIP3 H2 HT 0.417000 1.0080 0
+ 11421 WT1 7563 TIP3 OH2 OT -0.834000 15.9994 0
+ 11422 WT1 7563 TIP3 H1 HT 0.417000 1.0080 0
+ 11423 WT1 7563 TIP3 H2 HT 0.417000 1.0080 0
+ 11424 WT1 7567 TIP3 OH2 OT -0.834000 15.9994 0
+ 11425 WT1 7567 TIP3 H1 HT 0.417000 1.0080 0
+ 11426 WT1 7567 TIP3 H2 HT 0.417000 1.0080 0
+ 11427 WT1 7568 TIP3 OH2 OT -0.834000 15.9994 0
+ 11428 WT1 7568 TIP3 H1 HT 0.417000 1.0080 0
+ 11429 WT1 7568 TIP3 H2 HT 0.417000 1.0080 0
+ 11430 WT1 7572 TIP3 OH2 OT -0.834000 15.9994 0
+ 11431 WT1 7572 TIP3 H1 HT 0.417000 1.0080 0
+ 11432 WT1 7572 TIP3 H2 HT 0.417000 1.0080 0
+ 11433 WT1 7576 TIP3 OH2 OT -0.834000 15.9994 0
+ 11434 WT1 7576 TIP3 H1 HT 0.417000 1.0080 0
+ 11435 WT1 7576 TIP3 H2 HT 0.417000 1.0080 0
+ 11436 WT1 7592 TIP3 OH2 OT -0.834000 15.9994 0
+ 11437 WT1 7592 TIP3 H1 HT 0.417000 1.0080 0
+ 11438 WT1 7592 TIP3 H2 HT 0.417000 1.0080 0
+ 11439 WT1 7597 TIP3 OH2 OT -0.834000 15.9994 0
+ 11440 WT1 7597 TIP3 H1 HT 0.417000 1.0080 0
+ 11441 WT1 7597 TIP3 H2 HT 0.417000 1.0080 0
+ 11442 WT1 7603 TIP3 OH2 OT -0.834000 15.9994 0
+ 11443 WT1 7603 TIP3 H1 HT 0.417000 1.0080 0
+ 11444 WT1 7603 TIP3 H2 HT 0.417000 1.0080 0
+ 11445 WT1 7605 TIP3 OH2 OT -0.834000 15.9994 0
+ 11446 WT1 7605 TIP3 H1 HT 0.417000 1.0080 0
+ 11447 WT1 7605 TIP3 H2 HT 0.417000 1.0080 0
+ 11448 WT1 7612 TIP3 OH2 OT -0.834000 15.9994 0
+ 11449 WT1 7612 TIP3 H1 HT 0.417000 1.0080 0
+ 11450 WT1 7612 TIP3 H2 HT 0.417000 1.0080 0
+ 11451 WT1 7617 TIP3 OH2 OT -0.834000 15.9994 0
+ 11452 WT1 7617 TIP3 H1 HT 0.417000 1.0080 0
+ 11453 WT1 7617 TIP3 H2 HT 0.417000 1.0080 0
+ 11454 WT1 7630 TIP3 OH2 OT -0.834000 15.9994 0
+ 11455 WT1 7630 TIP3 H1 HT 0.417000 1.0080 0
+ 11456 WT1 7630 TIP3 H2 HT 0.417000 1.0080 0
+ 11457 WT1 7631 TIP3 OH2 OT -0.834000 15.9994 0
+ 11458 WT1 7631 TIP3 H1 HT 0.417000 1.0080 0
+ 11459 WT1 7631 TIP3 H2 HT 0.417000 1.0080 0
+ 11460 WT1 7634 TIP3 OH2 OT -0.834000 15.9994 0
+ 11461 WT1 7634 TIP3 H1 HT 0.417000 1.0080 0
+ 11462 WT1 7634 TIP3 H2 HT 0.417000 1.0080 0
+ 11463 WT1 7638 TIP3 OH2 OT -0.834000 15.9994 0
+ 11464 WT1 7638 TIP3 H1 HT 0.417000 1.0080 0
+ 11465 WT1 7638 TIP3 H2 HT 0.417000 1.0080 0
+ 11466 WT1 7643 TIP3 OH2 OT -0.834000 15.9994 0
+ 11467 WT1 7643 TIP3 H1 HT 0.417000 1.0080 0
+ 11468 WT1 7643 TIP3 H2 HT 0.417000 1.0080 0
+ 11469 WT1 7647 TIP3 OH2 OT -0.834000 15.9994 0
+ 11470 WT1 7647 TIP3 H1 HT 0.417000 1.0080 0
+ 11471 WT1 7647 TIP3 H2 HT 0.417000 1.0080 0
+ 11472 WT1 7650 TIP3 OH2 OT -0.834000 15.9994 0
+ 11473 WT1 7650 TIP3 H1 HT 0.417000 1.0080 0
+ 11474 WT1 7650 TIP3 H2 HT 0.417000 1.0080 0
+ 11475 WT1 7661 TIP3 OH2 OT -0.834000 15.9994 0
+ 11476 WT1 7661 TIP3 H1 HT 0.417000 1.0080 0
+ 11477 WT1 7661 TIP3 H2 HT 0.417000 1.0080 0
+ 11478 WT1 7668 TIP3 OH2 OT -0.834000 15.9994 0
+ 11479 WT1 7668 TIP3 H1 HT 0.417000 1.0080 0
+ 11480 WT1 7668 TIP3 H2 HT 0.417000 1.0080 0
+ 11481 WT1 7675 TIP3 OH2 OT -0.834000 15.9994 0
+ 11482 WT1 7675 TIP3 H1 HT 0.417000 1.0080 0
+ 11483 WT1 7675 TIP3 H2 HT 0.417000 1.0080 0
+ 11484 WT1 7676 TIP3 OH2 OT -0.834000 15.9994 0
+ 11485 WT1 7676 TIP3 H1 HT 0.417000 1.0080 0
+ 11486 WT1 7676 TIP3 H2 HT 0.417000 1.0080 0
+ 11487 WT1 7689 TIP3 OH2 OT -0.834000 15.9994 0
+ 11488 WT1 7689 TIP3 H1 HT 0.417000 1.0080 0
+ 11489 WT1 7689 TIP3 H2 HT 0.417000 1.0080 0
+ 11490 WT1 7690 TIP3 OH2 OT -0.834000 15.9994 0
+ 11491 WT1 7690 TIP3 H1 HT 0.417000 1.0080 0
+ 11492 WT1 7690 TIP3 H2 HT 0.417000 1.0080 0
+ 11493 WT1 7692 TIP3 OH2 OT -0.834000 15.9994 0
+ 11494 WT1 7692 TIP3 H1 HT 0.417000 1.0080 0
+ 11495 WT1 7692 TIP3 H2 HT 0.417000 1.0080 0
+ 11496 WT1 7698 TIP3 OH2 OT -0.834000 15.9994 0
+ 11497 WT1 7698 TIP3 H1 HT 0.417000 1.0080 0
+ 11498 WT1 7698 TIP3 H2 HT 0.417000 1.0080 0
+ 11499 WT1 7702 TIP3 OH2 OT -0.834000 15.9994 0
+ 11500 WT1 7702 TIP3 H1 HT 0.417000 1.0080 0
+ 11501 WT1 7702 TIP3 H2 HT 0.417000 1.0080 0
+ 11502 WT1 7707 TIP3 OH2 OT -0.834000 15.9994 0
+ 11503 WT1 7707 TIP3 H1 HT 0.417000 1.0080 0
+ 11504 WT1 7707 TIP3 H2 HT 0.417000 1.0080 0
+ 11505 WT1 7711 TIP3 OH2 OT -0.834000 15.9994 0
+ 11506 WT1 7711 TIP3 H1 HT 0.417000 1.0080 0
+ 11507 WT1 7711 TIP3 H2 HT 0.417000 1.0080 0
+ 11508 WT1 7712 TIP3 OH2 OT -0.834000 15.9994 0
+ 11509 WT1 7712 TIP3 H1 HT 0.417000 1.0080 0
+ 11510 WT1 7712 TIP3 H2 HT 0.417000 1.0080 0
+ 11511 WT1 7714 TIP3 OH2 OT -0.834000 15.9994 0
+ 11512 WT1 7714 TIP3 H1 HT 0.417000 1.0080 0
+ 11513 WT1 7714 TIP3 H2 HT 0.417000 1.0080 0
+ 11514 WT1 7715 TIP3 OH2 OT -0.834000 15.9994 0
+ 11515 WT1 7715 TIP3 H1 HT 0.417000 1.0080 0
+ 11516 WT1 7715 TIP3 H2 HT 0.417000 1.0080 0
+ 11517 WT1 7716 TIP3 OH2 OT -0.834000 15.9994 0
+ 11518 WT1 7716 TIP3 H1 HT 0.417000 1.0080 0
+ 11519 WT1 7716 TIP3 H2 HT 0.417000 1.0080 0
+ 11520 WT1 7736 TIP3 OH2 OT -0.834000 15.9994 0
+ 11521 WT1 7736 TIP3 H1 HT 0.417000 1.0080 0
+ 11522 WT1 7736 TIP3 H2 HT 0.417000 1.0080 0
+ 11523 WT1 7739 TIP3 OH2 OT -0.834000 15.9994 0
+ 11524 WT1 7739 TIP3 H1 HT 0.417000 1.0080 0
+ 11525 WT1 7739 TIP3 H2 HT 0.417000 1.0080 0
+ 11526 WT1 7748 TIP3 OH2 OT -0.834000 15.9994 0
+ 11527 WT1 7748 TIP3 H1 HT 0.417000 1.0080 0
+ 11528 WT1 7748 TIP3 H2 HT 0.417000 1.0080 0
+ 11529 WT1 7750 TIP3 OH2 OT -0.834000 15.9994 0
+ 11530 WT1 7750 TIP3 H1 HT 0.417000 1.0080 0
+ 11531 WT1 7750 TIP3 H2 HT 0.417000 1.0080 0
+ 11532 WT1 7754 TIP3 OH2 OT -0.834000 15.9994 0
+ 11533 WT1 7754 TIP3 H1 HT 0.417000 1.0080 0
+ 11534 WT1 7754 TIP3 H2 HT 0.417000 1.0080 0
+ 11535 WT1 7755 TIP3 OH2 OT -0.834000 15.9994 0
+ 11536 WT1 7755 TIP3 H1 HT 0.417000 1.0080 0
+ 11537 WT1 7755 TIP3 H2 HT 0.417000 1.0080 0
+ 11538 WT1 7756 TIP3 OH2 OT -0.834000 15.9994 0
+ 11539 WT1 7756 TIP3 H1 HT 0.417000 1.0080 0
+ 11540 WT1 7756 TIP3 H2 HT 0.417000 1.0080 0
+ 11541 WT1 7762 TIP3 OH2 OT -0.834000 15.9994 0
+ 11542 WT1 7762 TIP3 H1 HT 0.417000 1.0080 0
+ 11543 WT1 7762 TIP3 H2 HT 0.417000 1.0080 0
+ 11544 WT1 7773 TIP3 OH2 OT -0.834000 15.9994 0
+ 11545 WT1 7773 TIP3 H1 HT 0.417000 1.0080 0
+ 11546 WT1 7773 TIP3 H2 HT 0.417000 1.0080 0
+ 11547 WT1 7784 TIP3 OH2 OT -0.834000 15.9994 0
+ 11548 WT1 7784 TIP3 H1 HT 0.417000 1.0080 0
+ 11549 WT1 7784 TIP3 H2 HT 0.417000 1.0080 0
+ 11550 WT1 7798 TIP3 OH2 OT -0.834000 15.9994 0
+ 11551 WT1 7798 TIP3 H1 HT 0.417000 1.0080 0
+ 11552 WT1 7798 TIP3 H2 HT 0.417000 1.0080 0
+ 11553 WT1 7818 TIP3 OH2 OT -0.834000 15.9994 0
+ 11554 WT1 7818 TIP3 H1 HT 0.417000 1.0080 0
+ 11555 WT1 7818 TIP3 H2 HT 0.417000 1.0080 0
+ 11556 WT1 7825 TIP3 OH2 OT -0.834000 15.9994 0
+ 11557 WT1 7825 TIP3 H1 HT 0.417000 1.0080 0
+ 11558 WT1 7825 TIP3 H2 HT 0.417000 1.0080 0
+ 11559 WT1 7831 TIP3 OH2 OT -0.834000 15.9994 0
+ 11560 WT1 7831 TIP3 H1 HT 0.417000 1.0080 0
+ 11561 WT1 7831 TIP3 H2 HT 0.417000 1.0080 0
+ 11562 WT1 7833 TIP3 OH2 OT -0.834000 15.9994 0
+ 11563 WT1 7833 TIP3 H1 HT 0.417000 1.0080 0
+ 11564 WT1 7833 TIP3 H2 HT 0.417000 1.0080 0
+ 11565 WT1 7846 TIP3 OH2 OT -0.834000 15.9994 0
+ 11566 WT1 7846 TIP3 H1 HT 0.417000 1.0080 0
+ 11567 WT1 7846 TIP3 H2 HT 0.417000 1.0080 0
+ 11568 WT1 7859 TIP3 OH2 OT -0.834000 15.9994 0
+ 11569 WT1 7859 TIP3 H1 HT 0.417000 1.0080 0
+ 11570 WT1 7859 TIP3 H2 HT 0.417000 1.0080 0
+ 11571 WT1 7860 TIP3 OH2 OT -0.834000 15.9994 0
+ 11572 WT1 7860 TIP3 H1 HT 0.417000 1.0080 0
+ 11573 WT1 7860 TIP3 H2 HT 0.417000 1.0080 0
+ 11574 WT1 7873 TIP3 OH2 OT -0.834000 15.9994 0
+ 11575 WT1 7873 TIP3 H1 HT 0.417000 1.0080 0
+ 11576 WT1 7873 TIP3 H2 HT 0.417000 1.0080 0
+ 11577 WT1 7888 TIP3 OH2 OT -0.834000 15.9994 0
+ 11578 WT1 7888 TIP3 H1 HT 0.417000 1.0080 0
+ 11579 WT1 7888 TIP3 H2 HT 0.417000 1.0080 0
+ 11580 WT1 7904 TIP3 OH2 OT -0.834000 15.9994 0
+ 11581 WT1 7904 TIP3 H1 HT 0.417000 1.0080 0
+ 11582 WT1 7904 TIP3 H2 HT 0.417000 1.0080 0
+ 11583 WT1 7905 TIP3 OH2 OT -0.834000 15.9994 0
+ 11584 WT1 7905 TIP3 H1 HT 0.417000 1.0080 0
+ 11585 WT1 7905 TIP3 H2 HT 0.417000 1.0080 0
+ 11586 WT1 7920 TIP3 OH2 OT -0.834000 15.9994 0
+ 11587 WT1 7920 TIP3 H1 HT 0.417000 1.0080 0
+ 11588 WT1 7920 TIP3 H2 HT 0.417000 1.0080 0
+ 11589 WT1 7922 TIP3 OH2 OT -0.834000 15.9994 0
+ 11590 WT1 7922 TIP3 H1 HT 0.417000 1.0080 0
+ 11591 WT1 7922 TIP3 H2 HT 0.417000 1.0080 0
+ 11592 WT1 7925 TIP3 OH2 OT -0.834000 15.9994 0
+ 11593 WT1 7925 TIP3 H1 HT 0.417000 1.0080 0
+ 11594 WT1 7925 TIP3 H2 HT 0.417000 1.0080 0
+ 11595 WT1 7944 TIP3 OH2 OT -0.834000 15.9994 0
+ 11596 WT1 7944 TIP3 H1 HT 0.417000 1.0080 0
+ 11597 WT1 7944 TIP3 H2 HT 0.417000 1.0080 0
+ 11598 WT1 7945 TIP3 OH2 OT -0.834000 15.9994 0
+ 11599 WT1 7945 TIP3 H1 HT 0.417000 1.0080 0
+ 11600 WT1 7945 TIP3 H2 HT 0.417000 1.0080 0
+ 11601 WT1 7951 TIP3 OH2 OT -0.834000 15.9994 0
+ 11602 WT1 7951 TIP3 H1 HT 0.417000 1.0080 0
+ 11603 WT1 7951 TIP3 H2 HT 0.417000 1.0080 0
+ 11604 WT1 7959 TIP3 OH2 OT -0.834000 15.9994 0
+ 11605 WT1 7959 TIP3 H1 HT 0.417000 1.0080 0
+ 11606 WT1 7959 TIP3 H2 HT 0.417000 1.0080 0
+ 11607 WT1 7964 TIP3 OH2 OT -0.834000 15.9994 0
+ 11608 WT1 7964 TIP3 H1 HT 0.417000 1.0080 0
+ 11609 WT1 7964 TIP3 H2 HT 0.417000 1.0080 0
+ 11610 WT1 7979 TIP3 OH2 OT -0.834000 15.9994 0
+ 11611 WT1 7979 TIP3 H1 HT 0.417000 1.0080 0
+ 11612 WT1 7979 TIP3 H2 HT 0.417000 1.0080 0
+ 11613 WT1 7985 TIP3 OH2 OT -0.834000 15.9994 0
+ 11614 WT1 7985 TIP3 H1 HT 0.417000 1.0080 0
+ 11615 WT1 7985 TIP3 H2 HT 0.417000 1.0080 0
+ 11616 WT1 7988 TIP3 OH2 OT -0.834000 15.9994 0
+ 11617 WT1 7988 TIP3 H1 HT 0.417000 1.0080 0
+ 11618 WT1 7988 TIP3 H2 HT 0.417000 1.0080 0
+ 11619 WT1 8000 TIP3 OH2 OT -0.834000 15.9994 0
+ 11620 WT1 8000 TIP3 H1 HT 0.417000 1.0080 0
+ 11621 WT1 8000 TIP3 H2 HT 0.417000 1.0080 0
+ 11622 WT1 8014 TIP3 OH2 OT -0.834000 15.9994 0
+ 11623 WT1 8014 TIP3 H1 HT 0.417000 1.0080 0
+ 11624 WT1 8014 TIP3 H2 HT 0.417000 1.0080 0
+ 11625 WT1 8023 TIP3 OH2 OT -0.834000 15.9994 0
+ 11626 WT1 8023 TIP3 H1 HT 0.417000 1.0080 0
+ 11627 WT1 8023 TIP3 H2 HT 0.417000 1.0080 0
+ 11628 WT1 8024 TIP3 OH2 OT -0.834000 15.9994 0
+ 11629 WT1 8024 TIP3 H1 HT 0.417000 1.0080 0
+ 11630 WT1 8024 TIP3 H2 HT 0.417000 1.0080 0
+ 11631 WT1 8029 TIP3 OH2 OT -0.834000 15.9994 0
+ 11632 WT1 8029 TIP3 H1 HT 0.417000 1.0080 0
+ 11633 WT1 8029 TIP3 H2 HT 0.417000 1.0080 0
+ 11634 WT1 8030 TIP3 OH2 OT -0.834000 15.9994 0
+ 11635 WT1 8030 TIP3 H1 HT 0.417000 1.0080 0
+ 11636 WT1 8030 TIP3 H2 HT 0.417000 1.0080 0
+ 11637 WT1 8034 TIP3 OH2 OT -0.834000 15.9994 0
+ 11638 WT1 8034 TIP3 H1 HT 0.417000 1.0080 0
+ 11639 WT1 8034 TIP3 H2 HT 0.417000 1.0080 0
+ 11640 WT1 8046 TIP3 OH2 OT -0.834000 15.9994 0
+ 11641 WT1 8046 TIP3 H1 HT 0.417000 1.0080 0
+ 11642 WT1 8046 TIP3 H2 HT 0.417000 1.0080 0
+ 11643 WT1 8055 TIP3 OH2 OT -0.834000 15.9994 0
+ 11644 WT1 8055 TIP3 H1 HT 0.417000 1.0080 0
+ 11645 WT1 8055 TIP3 H2 HT 0.417000 1.0080 0
+ 11646 WT1 8064 TIP3 OH2 OT -0.834000 15.9994 0
+ 11647 WT1 8064 TIP3 H1 HT 0.417000 1.0080 0
+ 11648 WT1 8064 TIP3 H2 HT 0.417000 1.0080 0
+ 11649 WT1 8068 TIP3 OH2 OT -0.834000 15.9994 0
+ 11650 WT1 8068 TIP3 H1 HT 0.417000 1.0080 0
+ 11651 WT1 8068 TIP3 H2 HT 0.417000 1.0080 0
+ 11652 WT1 8070 TIP3 OH2 OT -0.834000 15.9994 0
+ 11653 WT1 8070 TIP3 H1 HT 0.417000 1.0080 0
+ 11654 WT1 8070 TIP3 H2 HT 0.417000 1.0080 0
+ 11655 WT1 8073 TIP3 OH2 OT -0.834000 15.9994 0
+ 11656 WT1 8073 TIP3 H1 HT 0.417000 1.0080 0
+ 11657 WT1 8073 TIP3 H2 HT 0.417000 1.0080 0
+ 11658 WT1 8076 TIP3 OH2 OT -0.834000 15.9994 0
+ 11659 WT1 8076 TIP3 H1 HT 0.417000 1.0080 0
+ 11660 WT1 8076 TIP3 H2 HT 0.417000 1.0080 0
+ 11661 WT1 8087 TIP3 OH2 OT -0.834000 15.9994 0
+ 11662 WT1 8087 TIP3 H1 HT 0.417000 1.0080 0
+ 11663 WT1 8087 TIP3 H2 HT 0.417000 1.0080 0
+ 11664 WT1 8091 TIP3 OH2 OT -0.834000 15.9994 0
+ 11665 WT1 8091 TIP3 H1 HT 0.417000 1.0080 0
+ 11666 WT1 8091 TIP3 H2 HT 0.417000 1.0080 0
+ 11667 WT1 8094 TIP3 OH2 OT -0.834000 15.9994 0
+ 11668 WT1 8094 TIP3 H1 HT 0.417000 1.0080 0
+ 11669 WT1 8094 TIP3 H2 HT 0.417000 1.0080 0
+ 11670 WT1 8097 TIP3 OH2 OT -0.834000 15.9994 0
+ 11671 WT1 8097 TIP3 H1 HT 0.417000 1.0080 0
+ 11672 WT1 8097 TIP3 H2 HT 0.417000 1.0080 0
+ 11673 WT1 8107 TIP3 OH2 OT -0.834000 15.9994 0
+ 11674 WT1 8107 TIP3 H1 HT 0.417000 1.0080 0
+ 11675 WT1 8107 TIP3 H2 HT 0.417000 1.0080 0
+ 11676 WT1 8109 TIP3 OH2 OT -0.834000 15.9994 0
+ 11677 WT1 8109 TIP3 H1 HT 0.417000 1.0080 0
+ 11678 WT1 8109 TIP3 H2 HT 0.417000 1.0080 0
+ 11679 WT1 8113 TIP3 OH2 OT -0.834000 15.9994 0
+ 11680 WT1 8113 TIP3 H1 HT 0.417000 1.0080 0
+ 11681 WT1 8113 TIP3 H2 HT 0.417000 1.0080 0
+ 11682 WT1 8133 TIP3 OH2 OT -0.834000 15.9994 0
+ 11683 WT1 8133 TIP3 H1 HT 0.417000 1.0080 0
+ 11684 WT1 8133 TIP3 H2 HT 0.417000 1.0080 0
+ 11685 WT1 8136 TIP3 OH2 OT -0.834000 15.9994 0
+ 11686 WT1 8136 TIP3 H1 HT 0.417000 1.0080 0
+ 11687 WT1 8136 TIP3 H2 HT 0.417000 1.0080 0
+ 11688 WT1 8140 TIP3 OH2 OT -0.834000 15.9994 0
+ 11689 WT1 8140 TIP3 H1 HT 0.417000 1.0080 0
+ 11690 WT1 8140 TIP3 H2 HT 0.417000 1.0080 0
+ 11691 WT1 8173 TIP3 OH2 OT -0.834000 15.9994 0
+ 11692 WT1 8173 TIP3 H1 HT 0.417000 1.0080 0
+ 11693 WT1 8173 TIP3 H2 HT 0.417000 1.0080 0
+ 11694 WT1 8174 TIP3 OH2 OT -0.834000 15.9994 0
+ 11695 WT1 8174 TIP3 H1 HT 0.417000 1.0080 0
+ 11696 WT1 8174 TIP3 H2 HT 0.417000 1.0080 0
+ 11697 WT1 8176 TIP3 OH2 OT -0.834000 15.9994 0
+ 11698 WT1 8176 TIP3 H1 HT 0.417000 1.0080 0
+ 11699 WT1 8176 TIP3 H2 HT 0.417000 1.0080 0
+ 11700 WT1 8181 TIP3 OH2 OT -0.834000 15.9994 0
+ 11701 WT1 8181 TIP3 H1 HT 0.417000 1.0080 0
+ 11702 WT1 8181 TIP3 H2 HT 0.417000 1.0080 0
+ 11703 WT1 8185 TIP3 OH2 OT -0.834000 15.9994 0
+ 11704 WT1 8185 TIP3 H1 HT 0.417000 1.0080 0
+ 11705 WT1 8185 TIP3 H2 HT 0.417000 1.0080 0
+ 11706 WT1 8193 TIP3 OH2 OT -0.834000 15.9994 0
+ 11707 WT1 8193 TIP3 H1 HT 0.417000 1.0080 0
+ 11708 WT1 8193 TIP3 H2 HT 0.417000 1.0080 0
+ 11709 WT1 8201 TIP3 OH2 OT -0.834000 15.9994 0
+ 11710 WT1 8201 TIP3 H1 HT 0.417000 1.0080 0
+ 11711 WT1 8201 TIP3 H2 HT 0.417000 1.0080 0
+ 11712 WT1 8202 TIP3 OH2 OT -0.834000 15.9994 0
+ 11713 WT1 8202 TIP3 H1 HT 0.417000 1.0080 0
+ 11714 WT1 8202 TIP3 H2 HT 0.417000 1.0080 0
+ 11715 WT1 8206 TIP3 OH2 OT -0.834000 15.9994 0
+ 11716 WT1 8206 TIP3 H1 HT 0.417000 1.0080 0
+ 11717 WT1 8206 TIP3 H2 HT 0.417000 1.0080 0
+ 11718 WT1 8212 TIP3 OH2 OT -0.834000 15.9994 0
+ 11719 WT1 8212 TIP3 H1 HT 0.417000 1.0080 0
+ 11720 WT1 8212 TIP3 H2 HT 0.417000 1.0080 0
+ 11721 WT1 8215 TIP3 OH2 OT -0.834000 15.9994 0
+ 11722 WT1 8215 TIP3 H1 HT 0.417000 1.0080 0
+ 11723 WT1 8215 TIP3 H2 HT 0.417000 1.0080 0
+ 11724 WT1 8218 TIP3 OH2 OT -0.834000 15.9994 0
+ 11725 WT1 8218 TIP3 H1 HT 0.417000 1.0080 0
+ 11726 WT1 8218 TIP3 H2 HT 0.417000 1.0080 0
+ 11727 WT1 8222 TIP3 OH2 OT -0.834000 15.9994 0
+ 11728 WT1 8222 TIP3 H1 HT 0.417000 1.0080 0
+ 11729 WT1 8222 TIP3 H2 HT 0.417000 1.0080 0
+ 11730 WT1 8229 TIP3 OH2 OT -0.834000 15.9994 0
+ 11731 WT1 8229 TIP3 H1 HT 0.417000 1.0080 0
+ 11732 WT1 8229 TIP3 H2 HT 0.417000 1.0080 0
+ 11733 WT1 8241 TIP3 OH2 OT -0.834000 15.9994 0
+ 11734 WT1 8241 TIP3 H1 HT 0.417000 1.0080 0
+ 11735 WT1 8241 TIP3 H2 HT 0.417000 1.0080 0
+ 11736 WT1 8243 TIP3 OH2 OT -0.834000 15.9994 0
+ 11737 WT1 8243 TIP3 H1 HT 0.417000 1.0080 0
+ 11738 WT1 8243 TIP3 H2 HT 0.417000 1.0080 0
+ 11739 WT1 8260 TIP3 OH2 OT -0.834000 15.9994 0
+ 11740 WT1 8260 TIP3 H1 HT 0.417000 1.0080 0
+ 11741 WT1 8260 TIP3 H2 HT 0.417000 1.0080 0
+ 11742 WT1 8262 TIP3 OH2 OT -0.834000 15.9994 0
+ 11743 WT1 8262 TIP3 H1 HT 0.417000 1.0080 0
+ 11744 WT1 8262 TIP3 H2 HT 0.417000 1.0080 0
+ 11745 WT1 8263 TIP3 OH2 OT -0.834000 15.9994 0
+ 11746 WT1 8263 TIP3 H1 HT 0.417000 1.0080 0
+ 11747 WT1 8263 TIP3 H2 HT 0.417000 1.0080 0
+ 11748 WT1 8264 TIP3 OH2 OT -0.834000 15.9994 0
+ 11749 WT1 8264 TIP3 H1 HT 0.417000 1.0080 0
+ 11750 WT1 8264 TIP3 H2 HT 0.417000 1.0080 0
+ 11751 WT1 8265 TIP3 OH2 OT -0.834000 15.9994 0
+ 11752 WT1 8265 TIP3 H1 HT 0.417000 1.0080 0
+ 11753 WT1 8265 TIP3 H2 HT 0.417000 1.0080 0
+ 11754 WT1 8266 TIP3 OH2 OT -0.834000 15.9994 0
+ 11755 WT1 8266 TIP3 H1 HT 0.417000 1.0080 0
+ 11756 WT1 8266 TIP3 H2 HT 0.417000 1.0080 0
+ 11757 WT1 8278 TIP3 OH2 OT -0.834000 15.9994 0
+ 11758 WT1 8278 TIP3 H1 HT 0.417000 1.0080 0
+ 11759 WT1 8278 TIP3 H2 HT 0.417000 1.0080 0
+ 11760 WT1 8284 TIP3 OH2 OT -0.834000 15.9994 0
+ 11761 WT1 8284 TIP3 H1 HT 0.417000 1.0080 0
+ 11762 WT1 8284 TIP3 H2 HT 0.417000 1.0080 0
+ 11763 WT1 8289 TIP3 OH2 OT -0.834000 15.9994 0
+ 11764 WT1 8289 TIP3 H1 HT 0.417000 1.0080 0
+ 11765 WT1 8289 TIP3 H2 HT 0.417000 1.0080 0
+ 11766 WT1 8290 TIP3 OH2 OT -0.834000 15.9994 0
+ 11767 WT1 8290 TIP3 H1 HT 0.417000 1.0080 0
+ 11768 WT1 8290 TIP3 H2 HT 0.417000 1.0080 0
+ 11769 WT1 8305 TIP3 OH2 OT -0.834000 15.9994 0
+ 11770 WT1 8305 TIP3 H1 HT 0.417000 1.0080 0
+ 11771 WT1 8305 TIP3 H2 HT 0.417000 1.0080 0
+ 11772 WT1 8308 TIP3 OH2 OT -0.834000 15.9994 0
+ 11773 WT1 8308 TIP3 H1 HT 0.417000 1.0080 0
+ 11774 WT1 8308 TIP3 H2 HT 0.417000 1.0080 0
+ 11775 WT1 8309 TIP3 OH2 OT -0.834000 15.9994 0
+ 11776 WT1 8309 TIP3 H1 HT 0.417000 1.0080 0
+ 11777 WT1 8309 TIP3 H2 HT 0.417000 1.0080 0
+ 11778 WT1 8313 TIP3 OH2 OT -0.834000 15.9994 0
+ 11779 WT1 8313 TIP3 H1 HT 0.417000 1.0080 0
+ 11780 WT1 8313 TIP3 H2 HT 0.417000 1.0080 0
+ 11781 WT1 8318 TIP3 OH2 OT -0.834000 15.9994 0
+ 11782 WT1 8318 TIP3 H1 HT 0.417000 1.0080 0
+ 11783 WT1 8318 TIP3 H2 HT 0.417000 1.0080 0
+ 11784 WT1 8326 TIP3 OH2 OT -0.834000 15.9994 0
+ 11785 WT1 8326 TIP3 H1 HT 0.417000 1.0080 0
+ 11786 WT1 8326 TIP3 H2 HT 0.417000 1.0080 0
+ 11787 WT1 8328 TIP3 OH2 OT -0.834000 15.9994 0
+ 11788 WT1 8328 TIP3 H1 HT 0.417000 1.0080 0
+ 11789 WT1 8328 TIP3 H2 HT 0.417000 1.0080 0
+ 11790 WT1 8333 TIP3 OH2 OT -0.834000 15.9994 0
+ 11791 WT1 8333 TIP3 H1 HT 0.417000 1.0080 0
+ 11792 WT1 8333 TIP3 H2 HT 0.417000 1.0080 0
+ 11793 WT1 8340 TIP3 OH2 OT -0.834000 15.9994 0
+ 11794 WT1 8340 TIP3 H1 HT 0.417000 1.0080 0
+ 11795 WT1 8340 TIP3 H2 HT 0.417000 1.0080 0
+ 11796 WT1 8342 TIP3 OH2 OT -0.834000 15.9994 0
+ 11797 WT1 8342 TIP3 H1 HT 0.417000 1.0080 0
+ 11798 WT1 8342 TIP3 H2 HT 0.417000 1.0080 0
+ 11799 WT1 8345 TIP3 OH2 OT -0.834000 15.9994 0
+ 11800 WT1 8345 TIP3 H1 HT 0.417000 1.0080 0
+ 11801 WT1 8345 TIP3 H2 HT 0.417000 1.0080 0
+ 11802 WT1 8350 TIP3 OH2 OT -0.834000 15.9994 0
+ 11803 WT1 8350 TIP3 H1 HT 0.417000 1.0080 0
+ 11804 WT1 8350 TIP3 H2 HT 0.417000 1.0080 0
+ 11805 WT1 8351 TIP3 OH2 OT -0.834000 15.9994 0
+ 11806 WT1 8351 TIP3 H1 HT 0.417000 1.0080 0
+ 11807 WT1 8351 TIP3 H2 HT 0.417000 1.0080 0
+ 11808 WT1 8352 TIP3 OH2 OT -0.834000 15.9994 0
+ 11809 WT1 8352 TIP3 H1 HT 0.417000 1.0080 0
+ 11810 WT1 8352 TIP3 H2 HT 0.417000 1.0080 0
+ 11811 WT1 8364 TIP3 OH2 OT -0.834000 15.9994 0
+ 11812 WT1 8364 TIP3 H1 HT 0.417000 1.0080 0
+ 11813 WT1 8364 TIP3 H2 HT 0.417000 1.0080 0
+ 11814 WT1 8366 TIP3 OH2 OT -0.834000 15.9994 0
+ 11815 WT1 8366 TIP3 H1 HT 0.417000 1.0080 0
+ 11816 WT1 8366 TIP3 H2 HT 0.417000 1.0080 0
+ 11817 WT1 8368 TIP3 OH2 OT -0.834000 15.9994 0
+ 11818 WT1 8368 TIP3 H1 HT 0.417000 1.0080 0
+ 11819 WT1 8368 TIP3 H2 HT 0.417000 1.0080 0
+ 11820 WT1 8370 TIP3 OH2 OT -0.834000 15.9994 0
+ 11821 WT1 8370 TIP3 H1 HT 0.417000 1.0080 0
+ 11822 WT1 8370 TIP3 H2 HT 0.417000 1.0080 0
+ 11823 WT1 8387 TIP3 OH2 OT -0.834000 15.9994 0
+ 11824 WT1 8387 TIP3 H1 HT 0.417000 1.0080 0
+ 11825 WT1 8387 TIP3 H2 HT 0.417000 1.0080 0
+ 11826 WT1 8393 TIP3 OH2 OT -0.834000 15.9994 0
+ 11827 WT1 8393 TIP3 H1 HT 0.417000 1.0080 0
+ 11828 WT1 8393 TIP3 H2 HT 0.417000 1.0080 0
+ 11829 WT1 8394 TIP3 OH2 OT -0.834000 15.9994 0
+ 11830 WT1 8394 TIP3 H1 HT 0.417000 1.0080 0
+ 11831 WT1 8394 TIP3 H2 HT 0.417000 1.0080 0
+ 11832 WT1 8403 TIP3 OH2 OT -0.834000 15.9994 0
+ 11833 WT1 8403 TIP3 H1 HT 0.417000 1.0080 0
+ 11834 WT1 8403 TIP3 H2 HT 0.417000 1.0080 0
+ 11835 WT1 8408 TIP3 OH2 OT -0.834000 15.9994 0
+ 11836 WT1 8408 TIP3 H1 HT 0.417000 1.0080 0
+ 11837 WT1 8408 TIP3 H2 HT 0.417000 1.0080 0
+ 11838 WT1 8409 TIP3 OH2 OT -0.834000 15.9994 0
+ 11839 WT1 8409 TIP3 H1 HT 0.417000 1.0080 0
+ 11840 WT1 8409 TIP3 H2 HT 0.417000 1.0080 0
+ 11841 WT1 8411 TIP3 OH2 OT -0.834000 15.9994 0
+ 11842 WT1 8411 TIP3 H1 HT 0.417000 1.0080 0
+ 11843 WT1 8411 TIP3 H2 HT 0.417000 1.0080 0
+ 11844 WT1 8412 TIP3 OH2 OT -0.834000 15.9994 0
+ 11845 WT1 8412 TIP3 H1 HT 0.417000 1.0080 0
+ 11846 WT1 8412 TIP3 H2 HT 0.417000 1.0080 0
+ 11847 WT1 8414 TIP3 OH2 OT -0.834000 15.9994 0
+ 11848 WT1 8414 TIP3 H1 HT 0.417000 1.0080 0
+ 11849 WT1 8414 TIP3 H2 HT 0.417000 1.0080 0
+ 11850 WT1 8415 TIP3 OH2 OT -0.834000 15.9994 0
+ 11851 WT1 8415 TIP3 H1 HT 0.417000 1.0080 0
+ 11852 WT1 8415 TIP3 H2 HT 0.417000 1.0080 0
+ 11853 WT1 8425 TIP3 OH2 OT -0.834000 15.9994 0
+ 11854 WT1 8425 TIP3 H1 HT 0.417000 1.0080 0
+ 11855 WT1 8425 TIP3 H2 HT 0.417000 1.0080 0
+ 11856 WT1 8436 TIP3 OH2 OT -0.834000 15.9994 0
+ 11857 WT1 8436 TIP3 H1 HT 0.417000 1.0080 0
+ 11858 WT1 8436 TIP3 H2 HT 0.417000 1.0080 0
+ 11859 WT1 8441 TIP3 OH2 OT -0.834000 15.9994 0
+ 11860 WT1 8441 TIP3 H1 HT 0.417000 1.0080 0
+ 11861 WT1 8441 TIP3 H2 HT 0.417000 1.0080 0
+ 11862 WT1 8448 TIP3 OH2 OT -0.834000 15.9994 0
+ 11863 WT1 8448 TIP3 H1 HT 0.417000 1.0080 0
+ 11864 WT1 8448 TIP3 H2 HT 0.417000 1.0080 0
+ 11865 WT1 8457 TIP3 OH2 OT -0.834000 15.9994 0
+ 11866 WT1 8457 TIP3 H1 HT 0.417000 1.0080 0
+ 11867 WT1 8457 TIP3 H2 HT 0.417000 1.0080 0
+ 11868 WT1 8462 TIP3 OH2 OT -0.834000 15.9994 0
+ 11869 WT1 8462 TIP3 H1 HT 0.417000 1.0080 0
+ 11870 WT1 8462 TIP3 H2 HT 0.417000 1.0080 0
+ 11871 WT1 8466 TIP3 OH2 OT -0.834000 15.9994 0
+ 11872 WT1 8466 TIP3 H1 HT 0.417000 1.0080 0
+ 11873 WT1 8466 TIP3 H2 HT 0.417000 1.0080 0
+ 11874 WT1 8468 TIP3 OH2 OT -0.834000 15.9994 0
+ 11875 WT1 8468 TIP3 H1 HT 0.417000 1.0080 0
+ 11876 WT1 8468 TIP3 H2 HT 0.417000 1.0080 0
+ 11877 WT1 8488 TIP3 OH2 OT -0.834000 15.9994 0
+ 11878 WT1 8488 TIP3 H1 HT 0.417000 1.0080 0
+ 11879 WT1 8488 TIP3 H2 HT 0.417000 1.0080 0
+ 11880 WT1 8491 TIP3 OH2 OT -0.834000 15.9994 0
+ 11881 WT1 8491 TIP3 H1 HT 0.417000 1.0080 0
+ 11882 WT1 8491 TIP3 H2 HT 0.417000 1.0080 0
+ 11883 WT1 8492 TIP3 OH2 OT -0.834000 15.9994 0
+ 11884 WT1 8492 TIP3 H1 HT 0.417000 1.0080 0
+ 11885 WT1 8492 TIP3 H2 HT 0.417000 1.0080 0
+ 11886 WT1 8509 TIP3 OH2 OT -0.834000 15.9994 0
+ 11887 WT1 8509 TIP3 H1 HT 0.417000 1.0080 0
+ 11888 WT1 8509 TIP3 H2 HT 0.417000 1.0080 0
+ 11889 WT1 8520 TIP3 OH2 OT -0.834000 15.9994 0
+ 11890 WT1 8520 TIP3 H1 HT 0.417000 1.0080 0
+ 11891 WT1 8520 TIP3 H2 HT 0.417000 1.0080 0
+ 11892 WT1 8528 TIP3 OH2 OT -0.834000 15.9994 0
+ 11893 WT1 8528 TIP3 H1 HT 0.417000 1.0080 0
+ 11894 WT1 8528 TIP3 H2 HT 0.417000 1.0080 0
+ 11895 WT1 8534 TIP3 OH2 OT -0.834000 15.9994 0
+ 11896 WT1 8534 TIP3 H1 HT 0.417000 1.0080 0
+ 11897 WT1 8534 TIP3 H2 HT 0.417000 1.0080 0
+ 11898 WT1 8536 TIP3 OH2 OT -0.834000 15.9994 0
+ 11899 WT1 8536 TIP3 H1 HT 0.417000 1.0080 0
+ 11900 WT1 8536 TIP3 H2 HT 0.417000 1.0080 0
+ 11901 WT1 8548 TIP3 OH2 OT -0.834000 15.9994 0
+ 11902 WT1 8548 TIP3 H1 HT 0.417000 1.0080 0
+ 11903 WT1 8548 TIP3 H2 HT 0.417000 1.0080 0
+ 11904 WT1 8549 TIP3 OH2 OT -0.834000 15.9994 0
+ 11905 WT1 8549 TIP3 H1 HT 0.417000 1.0080 0
+ 11906 WT1 8549 TIP3 H2 HT 0.417000 1.0080 0
+ 11907 WT1 8551 TIP3 OH2 OT -0.834000 15.9994 0
+ 11908 WT1 8551 TIP3 H1 HT 0.417000 1.0080 0
+ 11909 WT1 8551 TIP3 H2 HT 0.417000 1.0080 0
+ 11910 WT1 8555 TIP3 OH2 OT -0.834000 15.9994 0
+ 11911 WT1 8555 TIP3 H1 HT 0.417000 1.0080 0
+ 11912 WT1 8555 TIP3 H2 HT 0.417000 1.0080 0
+ 11913 WT1 8556 TIP3 OH2 OT -0.834000 15.9994 0
+ 11914 WT1 8556 TIP3 H1 HT 0.417000 1.0080 0
+ 11915 WT1 8556 TIP3 H2 HT 0.417000 1.0080 0
+ 11916 WT1 8558 TIP3 OH2 OT -0.834000 15.9994 0
+ 11917 WT1 8558 TIP3 H1 HT 0.417000 1.0080 0
+ 11918 WT1 8558 TIP3 H2 HT 0.417000 1.0080 0
+ 11919 WT1 8564 TIP3 OH2 OT -0.834000 15.9994 0
+ 11920 WT1 8564 TIP3 H1 HT 0.417000 1.0080 0
+ 11921 WT1 8564 TIP3 H2 HT 0.417000 1.0080 0
+ 11922 WT1 8566 TIP3 OH2 OT -0.834000 15.9994 0
+ 11923 WT1 8566 TIP3 H1 HT 0.417000 1.0080 0
+ 11924 WT1 8566 TIP3 H2 HT 0.417000 1.0080 0
+ 11925 WT1 8574 TIP3 OH2 OT -0.834000 15.9994 0
+ 11926 WT1 8574 TIP3 H1 HT 0.417000 1.0080 0
+ 11927 WT1 8574 TIP3 H2 HT 0.417000 1.0080 0
+ 11928 WT1 8576 TIP3 OH2 OT -0.834000 15.9994 0
+ 11929 WT1 8576 TIP3 H1 HT 0.417000 1.0080 0
+ 11930 WT1 8576 TIP3 H2 HT 0.417000 1.0080 0
+ 11931 WT1 8577 TIP3 OH2 OT -0.834000 15.9994 0
+ 11932 WT1 8577 TIP3 H1 HT 0.417000 1.0080 0
+ 11933 WT1 8577 TIP3 H2 HT 0.417000 1.0080 0
+ 11934 WT1 8578 TIP3 OH2 OT -0.834000 15.9994 0
+ 11935 WT1 8578 TIP3 H1 HT 0.417000 1.0080 0
+ 11936 WT1 8578 TIP3 H2 HT 0.417000 1.0080 0
+ 11937 WT1 8579 TIP3 OH2 OT -0.834000 15.9994 0
+ 11938 WT1 8579 TIP3 H1 HT 0.417000 1.0080 0
+ 11939 WT1 8579 TIP3 H2 HT 0.417000 1.0080 0
+ 11940 WT1 8589 TIP3 OH2 OT -0.834000 15.9994 0
+ 11941 WT1 8589 TIP3 H1 HT 0.417000 1.0080 0
+ 11942 WT1 8589 TIP3 H2 HT 0.417000 1.0080 0
+ 11943 WT1 8599 TIP3 OH2 OT -0.834000 15.9994 0
+ 11944 WT1 8599 TIP3 H1 HT 0.417000 1.0080 0
+ 11945 WT1 8599 TIP3 H2 HT 0.417000 1.0080 0
+ 11946 WT1 8600 TIP3 OH2 OT -0.834000 15.9994 0
+ 11947 WT1 8600 TIP3 H1 HT 0.417000 1.0080 0
+ 11948 WT1 8600 TIP3 H2 HT 0.417000 1.0080 0
+ 11949 WT1 8607 TIP3 OH2 OT -0.834000 15.9994 0
+ 11950 WT1 8607 TIP3 H1 HT 0.417000 1.0080 0
+ 11951 WT1 8607 TIP3 H2 HT 0.417000 1.0080 0
+ 11952 WT1 8613 TIP3 OH2 OT -0.834000 15.9994 0
+ 11953 WT1 8613 TIP3 H1 HT 0.417000 1.0080 0
+ 11954 WT1 8613 TIP3 H2 HT 0.417000 1.0080 0
+ 11955 WT1 8617 TIP3 OH2 OT -0.834000 15.9994 0
+ 11956 WT1 8617 TIP3 H1 HT 0.417000 1.0080 0
+ 11957 WT1 8617 TIP3 H2 HT 0.417000 1.0080 0
+ 11958 WT1 8621 TIP3 OH2 OT -0.834000 15.9994 0
+ 11959 WT1 8621 TIP3 H1 HT 0.417000 1.0080 0
+ 11960 WT1 8621 TIP3 H2 HT 0.417000 1.0080 0
+ 11961 WT1 8622 TIP3 OH2 OT -0.834000 15.9994 0
+ 11962 WT1 8622 TIP3 H1 HT 0.417000 1.0080 0
+ 11963 WT1 8622 TIP3 H2 HT 0.417000 1.0080 0
+ 11964 WT1 8624 TIP3 OH2 OT -0.834000 15.9994 0
+ 11965 WT1 8624 TIP3 H1 HT 0.417000 1.0080 0
+ 11966 WT1 8624 TIP3 H2 HT 0.417000 1.0080 0
+ 11967 WT1 8628 TIP3 OH2 OT -0.834000 15.9994 0
+ 11968 WT1 8628 TIP3 H1 HT 0.417000 1.0080 0
+ 11969 WT1 8628 TIP3 H2 HT 0.417000 1.0080 0
+ 11970 WT1 8642 TIP3 OH2 OT -0.834000 15.9994 0
+ 11971 WT1 8642 TIP3 H1 HT 0.417000 1.0080 0
+ 11972 WT1 8642 TIP3 H2 HT 0.417000 1.0080 0
+ 11973 WT1 8645 TIP3 OH2 OT -0.834000 15.9994 0
+ 11974 WT1 8645 TIP3 H1 HT 0.417000 1.0080 0
+ 11975 WT1 8645 TIP3 H2 HT 0.417000 1.0080 0
+ 11976 WT1 8653 TIP3 OH2 OT -0.834000 15.9994 0
+ 11977 WT1 8653 TIP3 H1 HT 0.417000 1.0080 0
+ 11978 WT1 8653 TIP3 H2 HT 0.417000 1.0080 0
+ 11979 WT1 8658 TIP3 OH2 OT -0.834000 15.9994 0
+ 11980 WT1 8658 TIP3 H1 HT 0.417000 1.0080 0
+ 11981 WT1 8658 TIP3 H2 HT 0.417000 1.0080 0
+ 11982 WT1 8662 TIP3 OH2 OT -0.834000 15.9994 0
+ 11983 WT1 8662 TIP3 H1 HT 0.417000 1.0080 0
+ 11984 WT1 8662 TIP3 H2 HT 0.417000 1.0080 0
+ 11985 WT1 8668 TIP3 OH2 OT -0.834000 15.9994 0
+ 11986 WT1 8668 TIP3 H1 HT 0.417000 1.0080 0
+ 11987 WT1 8668 TIP3 H2 HT 0.417000 1.0080 0
+ 11988 WT1 8675 TIP3 OH2 OT -0.834000 15.9994 0
+ 11989 WT1 8675 TIP3 H1 HT 0.417000 1.0080 0
+ 11990 WT1 8675 TIP3 H2 HT 0.417000 1.0080 0
+ 11991 WT1 8677 TIP3 OH2 OT -0.834000 15.9994 0
+ 11992 WT1 8677 TIP3 H1 HT 0.417000 1.0080 0
+ 11993 WT1 8677 TIP3 H2 HT 0.417000 1.0080 0
+ 11994 WT1 8679 TIP3 OH2 OT -0.834000 15.9994 0
+ 11995 WT1 8679 TIP3 H1 HT 0.417000 1.0080 0
+ 11996 WT1 8679 TIP3 H2 HT 0.417000 1.0080 0
+ 11997 WT1 8680 TIP3 OH2 OT -0.834000 15.9994 0
+ 11998 WT1 8680 TIP3 H1 HT 0.417000 1.0080 0
+ 11999 WT1 8680 TIP3 H2 HT 0.417000 1.0080 0
+ 12000 WT1 8683 TIP3 OH2 OT -0.834000 15.9994 0
+ 12001 WT1 8683 TIP3 H1 HT 0.417000 1.0080 0
+ 12002 WT1 8683 TIP3 H2 HT 0.417000 1.0080 0
+ 12003 WT1 8687 TIP3 OH2 OT -0.834000 15.9994 0
+ 12004 WT1 8687 TIP3 H1 HT 0.417000 1.0080 0
+ 12005 WT1 8687 TIP3 H2 HT 0.417000 1.0080 0
+ 12006 WT1 8689 TIP3 OH2 OT -0.834000 15.9994 0
+ 12007 WT1 8689 TIP3 H1 HT 0.417000 1.0080 0
+ 12008 WT1 8689 TIP3 H2 HT 0.417000 1.0080 0
+ 12009 WT1 8690 TIP3 OH2 OT -0.834000 15.9994 0
+ 12010 WT1 8690 TIP3 H1 HT 0.417000 1.0080 0
+ 12011 WT1 8690 TIP3 H2 HT 0.417000 1.0080 0
+ 12012 WT1 8691 TIP3 OH2 OT -0.834000 15.9994 0
+ 12013 WT1 8691 TIP3 H1 HT 0.417000 1.0080 0
+ 12014 WT1 8691 TIP3 H2 HT 0.417000 1.0080 0
+ 12015 WT1 8695 TIP3 OH2 OT -0.834000 15.9994 0
+ 12016 WT1 8695 TIP3 H1 HT 0.417000 1.0080 0
+ 12017 WT1 8695 TIP3 H2 HT 0.417000 1.0080 0
+ 12018 WT1 8699 TIP3 OH2 OT -0.834000 15.9994 0
+ 12019 WT1 8699 TIP3 H1 HT 0.417000 1.0080 0
+ 12020 WT1 8699 TIP3 H2 HT 0.417000 1.0080 0
+ 12021 WT1 8705 TIP3 OH2 OT -0.834000 15.9994 0
+ 12022 WT1 8705 TIP3 H1 HT 0.417000 1.0080 0
+ 12023 WT1 8705 TIP3 H2 HT 0.417000 1.0080 0
+ 12024 WT1 8721 TIP3 OH2 OT -0.834000 15.9994 0
+ 12025 WT1 8721 TIP3 H1 HT 0.417000 1.0080 0
+ 12026 WT1 8721 TIP3 H2 HT 0.417000 1.0080 0
+ 12027 WT1 8722 TIP3 OH2 OT -0.834000 15.9994 0
+ 12028 WT1 8722 TIP3 H1 HT 0.417000 1.0080 0
+ 12029 WT1 8722 TIP3 H2 HT 0.417000 1.0080 0
+ 12030 WT1 8723 TIP3 OH2 OT -0.834000 15.9994 0
+ 12031 WT1 8723 TIP3 H1 HT 0.417000 1.0080 0
+ 12032 WT1 8723 TIP3 H2 HT 0.417000 1.0080 0
+ 12033 WT1 8724 TIP3 OH2 OT -0.834000 15.9994 0
+ 12034 WT1 8724 TIP3 H1 HT 0.417000 1.0080 0
+ 12035 WT1 8724 TIP3 H2 HT 0.417000 1.0080 0
+ 12036 WT1 8727 TIP3 OH2 OT -0.834000 15.9994 0
+ 12037 WT1 8727 TIP3 H1 HT 0.417000 1.0080 0
+ 12038 WT1 8727 TIP3 H2 HT 0.417000 1.0080 0
+ 12039 WT1 8732 TIP3 OH2 OT -0.834000 15.9994 0
+ 12040 WT1 8732 TIP3 H1 HT 0.417000 1.0080 0
+ 12041 WT1 8732 TIP3 H2 HT 0.417000 1.0080 0
+ 12042 WT1 8746 TIP3 OH2 OT -0.834000 15.9994 0
+ 12043 WT1 8746 TIP3 H1 HT 0.417000 1.0080 0
+ 12044 WT1 8746 TIP3 H2 HT 0.417000 1.0080 0
+ 12045 WT1 8748 TIP3 OH2 OT -0.834000 15.9994 0
+ 12046 WT1 8748 TIP3 H1 HT 0.417000 1.0080 0
+ 12047 WT1 8748 TIP3 H2 HT 0.417000 1.0080 0
+ 12048 WT1 8760 TIP3 OH2 OT -0.834000 15.9994 0
+ 12049 WT1 8760 TIP3 H1 HT 0.417000 1.0080 0
+ 12050 WT1 8760 TIP3 H2 HT 0.417000 1.0080 0
+ 12051 WT1 8761 TIP3 OH2 OT -0.834000 15.9994 0
+ 12052 WT1 8761 TIP3 H1 HT 0.417000 1.0080 0
+ 12053 WT1 8761 TIP3 H2 HT 0.417000 1.0080 0
+ 12054 WT1 8769 TIP3 OH2 OT -0.834000 15.9994 0
+ 12055 WT1 8769 TIP3 H1 HT 0.417000 1.0080 0
+ 12056 WT1 8769 TIP3 H2 HT 0.417000 1.0080 0
+ 12057 WT1 8774 TIP3 OH2 OT -0.834000 15.9994 0
+ 12058 WT1 8774 TIP3 H1 HT 0.417000 1.0080 0
+ 12059 WT1 8774 TIP3 H2 HT 0.417000 1.0080 0
+ 12060 WT1 8780 TIP3 OH2 OT -0.834000 15.9994 0
+ 12061 WT1 8780 TIP3 H1 HT 0.417000 1.0080 0
+ 12062 WT1 8780 TIP3 H2 HT 0.417000 1.0080 0
+ 12063 WT1 8784 TIP3 OH2 OT -0.834000 15.9994 0
+ 12064 WT1 8784 TIP3 H1 HT 0.417000 1.0080 0
+ 12065 WT1 8784 TIP3 H2 HT 0.417000 1.0080 0
+ 12066 WT1 8791 TIP3 OH2 OT -0.834000 15.9994 0
+ 12067 WT1 8791 TIP3 H1 HT 0.417000 1.0080 0
+ 12068 WT1 8791 TIP3 H2 HT 0.417000 1.0080 0
+ 12069 WT1 8794 TIP3 OH2 OT -0.834000 15.9994 0
+ 12070 WT1 8794 TIP3 H1 HT 0.417000 1.0080 0
+ 12071 WT1 8794 TIP3 H2 HT 0.417000 1.0080 0
+ 12072 WT1 8796 TIP3 OH2 OT -0.834000 15.9994 0
+ 12073 WT1 8796 TIP3 H1 HT 0.417000 1.0080 0
+ 12074 WT1 8796 TIP3 H2 HT 0.417000 1.0080 0
+ 12075 WT1 8800 TIP3 OH2 OT -0.834000 15.9994 0
+ 12076 WT1 8800 TIP3 H1 HT 0.417000 1.0080 0
+ 12077 WT1 8800 TIP3 H2 HT 0.417000 1.0080 0
+ 12078 WT1 8801 TIP3 OH2 OT -0.834000 15.9994 0
+ 12079 WT1 8801 TIP3 H1 HT 0.417000 1.0080 0
+ 12080 WT1 8801 TIP3 H2 HT 0.417000 1.0080 0
+ 12081 WT1 8809 TIP3 OH2 OT -0.834000 15.9994 0
+ 12082 WT1 8809 TIP3 H1 HT 0.417000 1.0080 0
+ 12083 WT1 8809 TIP3 H2 HT 0.417000 1.0080 0
+ 12084 WT1 8813 TIP3 OH2 OT -0.834000 15.9994 0
+ 12085 WT1 8813 TIP3 H1 HT 0.417000 1.0080 0
+ 12086 WT1 8813 TIP3 H2 HT 0.417000 1.0080 0
+ 12087 WT1 8814 TIP3 OH2 OT -0.834000 15.9994 0
+ 12088 WT1 8814 TIP3 H1 HT 0.417000 1.0080 0
+ 12089 WT1 8814 TIP3 H2 HT 0.417000 1.0080 0
+ 12090 WT1 8822 TIP3 OH2 OT -0.834000 15.9994 0
+ 12091 WT1 8822 TIP3 H1 HT 0.417000 1.0080 0
+ 12092 WT1 8822 TIP3 H2 HT 0.417000 1.0080 0
+ 12093 WT1 8826 TIP3 OH2 OT -0.834000 15.9994 0
+ 12094 WT1 8826 TIP3 H1 HT 0.417000 1.0080 0
+ 12095 WT1 8826 TIP3 H2 HT 0.417000 1.0080 0
+ 12096 WT1 8829 TIP3 OH2 OT -0.834000 15.9994 0
+ 12097 WT1 8829 TIP3 H1 HT 0.417000 1.0080 0
+ 12098 WT1 8829 TIP3 H2 HT 0.417000 1.0080 0
+ 12099 WT1 8833 TIP3 OH2 OT -0.834000 15.9994 0
+ 12100 WT1 8833 TIP3 H1 HT 0.417000 1.0080 0
+ 12101 WT1 8833 TIP3 H2 HT 0.417000 1.0080 0
+ 12102 WT1 8836 TIP3 OH2 OT -0.834000 15.9994 0
+ 12103 WT1 8836 TIP3 H1 HT 0.417000 1.0080 0
+ 12104 WT1 8836 TIP3 H2 HT 0.417000 1.0080 0
+ 12105 WT1 8843 TIP3 OH2 OT -0.834000 15.9994 0
+ 12106 WT1 8843 TIP3 H1 HT 0.417000 1.0080 0
+ 12107 WT1 8843 TIP3 H2 HT 0.417000 1.0080 0
+ 12108 WT1 8845 TIP3 OH2 OT -0.834000 15.9994 0
+ 12109 WT1 8845 TIP3 H1 HT 0.417000 1.0080 0
+ 12110 WT1 8845 TIP3 H2 HT 0.417000 1.0080 0
+ 12111 WT1 8848 TIP3 OH2 OT -0.834000 15.9994 0
+ 12112 WT1 8848 TIP3 H1 HT 0.417000 1.0080 0
+ 12113 WT1 8848 TIP3 H2 HT 0.417000 1.0080 0
+ 12114 WT1 8851 TIP3 OH2 OT -0.834000 15.9994 0
+ 12115 WT1 8851 TIP3 H1 HT 0.417000 1.0080 0
+ 12116 WT1 8851 TIP3 H2 HT 0.417000 1.0080 0
+ 12117 WT1 8852 TIP3 OH2 OT -0.834000 15.9994 0
+ 12118 WT1 8852 TIP3 H1 HT 0.417000 1.0080 0
+ 12119 WT1 8852 TIP3 H2 HT 0.417000 1.0080 0
+ 12120 WT1 8865 TIP3 OH2 OT -0.834000 15.9994 0
+ 12121 WT1 8865 TIP3 H1 HT 0.417000 1.0080 0
+ 12122 WT1 8865 TIP3 H2 HT 0.417000 1.0080 0
+ 12123 WT1 8869 TIP3 OH2 OT -0.834000 15.9994 0
+ 12124 WT1 8869 TIP3 H1 HT 0.417000 1.0080 0
+ 12125 WT1 8869 TIP3 H2 HT 0.417000 1.0080 0
+ 12126 WT1 8870 TIP3 OH2 OT -0.834000 15.9994 0
+ 12127 WT1 8870 TIP3 H1 HT 0.417000 1.0080 0
+ 12128 WT1 8870 TIP3 H2 HT 0.417000 1.0080 0
+ 12129 WT1 8872 TIP3 OH2 OT -0.834000 15.9994 0
+ 12130 WT1 8872 TIP3 H1 HT 0.417000 1.0080 0
+ 12131 WT1 8872 TIP3 H2 HT 0.417000 1.0080 0
+ 12132 WT1 8877 TIP3 OH2 OT -0.834000 15.9994 0
+ 12133 WT1 8877 TIP3 H1 HT 0.417000 1.0080 0
+ 12134 WT1 8877 TIP3 H2 HT 0.417000 1.0080 0
+ 12135 WT1 8886 TIP3 OH2 OT -0.834000 15.9994 0
+ 12136 WT1 8886 TIP3 H1 HT 0.417000 1.0080 0
+ 12137 WT1 8886 TIP3 H2 HT 0.417000 1.0080 0
+ 12138 WT1 8887 TIP3 OH2 OT -0.834000 15.9994 0
+ 12139 WT1 8887 TIP3 H1 HT 0.417000 1.0080 0
+ 12140 WT1 8887 TIP3 H2 HT 0.417000 1.0080 0
+ 12141 WT1 8890 TIP3 OH2 OT -0.834000 15.9994 0
+ 12142 WT1 8890 TIP3 H1 HT 0.417000 1.0080 0
+ 12143 WT1 8890 TIP3 H2 HT 0.417000 1.0080 0
+ 12144 WT1 8893 TIP3 OH2 OT -0.834000 15.9994 0
+ 12145 WT1 8893 TIP3 H1 HT 0.417000 1.0080 0
+ 12146 WT1 8893 TIP3 H2 HT 0.417000 1.0080 0
+ 12147 WT1 8894 TIP3 OH2 OT -0.834000 15.9994 0
+ 12148 WT1 8894 TIP3 H1 HT 0.417000 1.0080 0
+ 12149 WT1 8894 TIP3 H2 HT 0.417000 1.0080 0
+ 12150 WT1 8895 TIP3 OH2 OT -0.834000 15.9994 0
+ 12151 WT1 8895 TIP3 H1 HT 0.417000 1.0080 0
+ 12152 WT1 8895 TIP3 H2 HT 0.417000 1.0080 0
+ 12153 WT1 8896 TIP3 OH2 OT -0.834000 15.9994 0
+ 12154 WT1 8896 TIP3 H1 HT 0.417000 1.0080 0
+ 12155 WT1 8896 TIP3 H2 HT 0.417000 1.0080 0
+ 12156 WT1 8898 TIP3 OH2 OT -0.834000 15.9994 0
+ 12157 WT1 8898 TIP3 H1 HT 0.417000 1.0080 0
+ 12158 WT1 8898 TIP3 H2 HT 0.417000 1.0080 0
+ 12159 WT1 8903 TIP3 OH2 OT -0.834000 15.9994 0
+ 12160 WT1 8903 TIP3 H1 HT 0.417000 1.0080 0
+ 12161 WT1 8903 TIP3 H2 HT 0.417000 1.0080 0
+ 12162 WT1 8905 TIP3 OH2 OT -0.834000 15.9994 0
+ 12163 WT1 8905 TIP3 H1 HT 0.417000 1.0080 0
+ 12164 WT1 8905 TIP3 H2 HT 0.417000 1.0080 0
+ 12165 WT1 8906 TIP3 OH2 OT -0.834000 15.9994 0
+ 12166 WT1 8906 TIP3 H1 HT 0.417000 1.0080 0
+ 12167 WT1 8906 TIP3 H2 HT 0.417000 1.0080 0
+ 12168 WT1 8908 TIP3 OH2 OT -0.834000 15.9994 0
+ 12169 WT1 8908 TIP3 H1 HT 0.417000 1.0080 0
+ 12170 WT1 8908 TIP3 H2 HT 0.417000 1.0080 0
+ 12171 WT1 8918 TIP3 OH2 OT -0.834000 15.9994 0
+ 12172 WT1 8918 TIP3 H1 HT 0.417000 1.0080 0
+ 12173 WT1 8918 TIP3 H2 HT 0.417000 1.0080 0
+ 12174 WT1 8919 TIP3 OH2 OT -0.834000 15.9994 0
+ 12175 WT1 8919 TIP3 H1 HT 0.417000 1.0080 0
+ 12176 WT1 8919 TIP3 H2 HT 0.417000 1.0080 0
+ 12177 WT1 8926 TIP3 OH2 OT -0.834000 15.9994 0
+ 12178 WT1 8926 TIP3 H1 HT 0.417000 1.0080 0
+ 12179 WT1 8926 TIP3 H2 HT 0.417000 1.0080 0
+ 12180 WT1 8927 TIP3 OH2 OT -0.834000 15.9994 0
+ 12181 WT1 8927 TIP3 H1 HT 0.417000 1.0080 0
+ 12182 WT1 8927 TIP3 H2 HT 0.417000 1.0080 0
+ 12183 WT1 8928 TIP3 OH2 OT -0.834000 15.9994 0
+ 12184 WT1 8928 TIP3 H1 HT 0.417000 1.0080 0
+ 12185 WT1 8928 TIP3 H2 HT 0.417000 1.0080 0
+ 12186 WT1 8931 TIP3 OH2 OT -0.834000 15.9994 0
+ 12187 WT1 8931 TIP3 H1 HT 0.417000 1.0080 0
+ 12188 WT1 8931 TIP3 H2 HT 0.417000 1.0080 0
+ 12189 WT1 8932 TIP3 OH2 OT -0.834000 15.9994 0
+ 12190 WT1 8932 TIP3 H1 HT 0.417000 1.0080 0
+ 12191 WT1 8932 TIP3 H2 HT 0.417000 1.0080 0
+ 12192 WT1 8935 TIP3 OH2 OT -0.834000 15.9994 0
+ 12193 WT1 8935 TIP3 H1 HT 0.417000 1.0080 0
+ 12194 WT1 8935 TIP3 H2 HT 0.417000 1.0080 0
+ 12195 WT1 8936 TIP3 OH2 OT -0.834000 15.9994 0
+ 12196 WT1 8936 TIP3 H1 HT 0.417000 1.0080 0
+ 12197 WT1 8936 TIP3 H2 HT 0.417000 1.0080 0
+ 12198 WT1 8937 TIP3 OH2 OT -0.834000 15.9994 0
+ 12199 WT1 8937 TIP3 H1 HT 0.417000 1.0080 0
+ 12200 WT1 8937 TIP3 H2 HT 0.417000 1.0080 0
+ 12201 WT1 8938 TIP3 OH2 OT -0.834000 15.9994 0
+ 12202 WT1 8938 TIP3 H1 HT 0.417000 1.0080 0
+ 12203 WT1 8938 TIP3 H2 HT 0.417000 1.0080 0
+ 12204 WT1 8939 TIP3 OH2 OT -0.834000 15.9994 0
+ 12205 WT1 8939 TIP3 H1 HT 0.417000 1.0080 0
+ 12206 WT1 8939 TIP3 H2 HT 0.417000 1.0080 0
+ 12207 WT1 8940 TIP3 OH2 OT -0.834000 15.9994 0
+ 12208 WT1 8940 TIP3 H1 HT 0.417000 1.0080 0
+ 12209 WT1 8940 TIP3 H2 HT 0.417000 1.0080 0
+ 12210 WT1 8949 TIP3 OH2 OT -0.834000 15.9994 0
+ 12211 WT1 8949 TIP3 H1 HT 0.417000 1.0080 0
+ 12212 WT1 8949 TIP3 H2 HT 0.417000 1.0080 0
+ 12213 WT1 8952 TIP3 OH2 OT -0.834000 15.9994 0
+ 12214 WT1 8952 TIP3 H1 HT 0.417000 1.0080 0
+ 12215 WT1 8952 TIP3 H2 HT 0.417000 1.0080 0
+ 12216 WT1 8954 TIP3 OH2 OT -0.834000 15.9994 0
+ 12217 WT1 8954 TIP3 H1 HT 0.417000 1.0080 0
+ 12218 WT1 8954 TIP3 H2 HT 0.417000 1.0080 0
+ 12219 WT1 8956 TIP3 OH2 OT -0.834000 15.9994 0
+ 12220 WT1 8956 TIP3 H1 HT 0.417000 1.0080 0
+ 12221 WT1 8956 TIP3 H2 HT 0.417000 1.0080 0
+ 12222 WT1 8960 TIP3 OH2 OT -0.834000 15.9994 0
+ 12223 WT1 8960 TIP3 H1 HT 0.417000 1.0080 0
+ 12224 WT1 8960 TIP3 H2 HT 0.417000 1.0080 0
+ 12225 WT1 8961 TIP3 OH2 OT -0.834000 15.9994 0
+ 12226 WT1 8961 TIP3 H1 HT 0.417000 1.0080 0
+ 12227 WT1 8961 TIP3 H2 HT 0.417000 1.0080 0
+ 12228 WT1 8972 TIP3 OH2 OT -0.834000 15.9994 0
+ 12229 WT1 8972 TIP3 H1 HT 0.417000 1.0080 0
+ 12230 WT1 8972 TIP3 H2 HT 0.417000 1.0080 0
+ 12231 WT1 8973 TIP3 OH2 OT -0.834000 15.9994 0
+ 12232 WT1 8973 TIP3 H1 HT 0.417000 1.0080 0
+ 12233 WT1 8973 TIP3 H2 HT 0.417000 1.0080 0
+ 12234 WT1 8976 TIP3 OH2 OT -0.834000 15.9994 0
+ 12235 WT1 8976 TIP3 H1 HT 0.417000 1.0080 0
+ 12236 WT1 8976 TIP3 H2 HT 0.417000 1.0080 0
+ 12237 WT1 8977 TIP3 OH2 OT -0.834000 15.9994 0
+ 12238 WT1 8977 TIP3 H1 HT 0.417000 1.0080 0
+ 12239 WT1 8977 TIP3 H2 HT 0.417000 1.0080 0
+ 12240 WT1 8978 TIP3 OH2 OT -0.834000 15.9994 0
+ 12241 WT1 8978 TIP3 H1 HT 0.417000 1.0080 0
+ 12242 WT1 8978 TIP3 H2 HT 0.417000 1.0080 0
+ 12243 WT1 8988 TIP3 OH2 OT -0.834000 15.9994 0
+ 12244 WT1 8988 TIP3 H1 HT 0.417000 1.0080 0
+ 12245 WT1 8988 TIP3 H2 HT 0.417000 1.0080 0
+ 12246 WT1 8994 TIP3 OH2 OT -0.834000 15.9994 0
+ 12247 WT1 8994 TIP3 H1 HT 0.417000 1.0080 0
+ 12248 WT1 8994 TIP3 H2 HT 0.417000 1.0080 0
+ 12249 WT1 9001 TIP3 OH2 OT -0.834000 15.9994 0
+ 12250 WT1 9001 TIP3 H1 HT 0.417000 1.0080 0
+ 12251 WT1 9001 TIP3 H2 HT 0.417000 1.0080 0
+ 12252 WT1 9013 TIP3 OH2 OT -0.834000 15.9994 0
+ 12253 WT1 9013 TIP3 H1 HT 0.417000 1.0080 0
+ 12254 WT1 9013 TIP3 H2 HT 0.417000 1.0080 0
+ 12255 WT1 9015 TIP3 OH2 OT -0.834000 15.9994 0
+ 12256 WT1 9015 TIP3 H1 HT 0.417000 1.0080 0
+ 12257 WT1 9015 TIP3 H2 HT 0.417000 1.0080 0
+ 12258 WT1 9017 TIP3 OH2 OT -0.834000 15.9994 0
+ 12259 WT1 9017 TIP3 H1 HT 0.417000 1.0080 0
+ 12260 WT1 9017 TIP3 H2 HT 0.417000 1.0080 0
+ 12261 WT1 9034 TIP3 OH2 OT -0.834000 15.9994 0
+ 12262 WT1 9034 TIP3 H1 HT 0.417000 1.0080 0
+ 12263 WT1 9034 TIP3 H2 HT 0.417000 1.0080 0
+ 12264 WT1 9035 TIP3 OH2 OT -0.834000 15.9994 0
+ 12265 WT1 9035 TIP3 H1 HT 0.417000 1.0080 0
+ 12266 WT1 9035 TIP3 H2 HT 0.417000 1.0080 0
+ 12267 WT1 9037 TIP3 OH2 OT -0.834000 15.9994 0
+ 12268 WT1 9037 TIP3 H1 HT 0.417000 1.0080 0
+ 12269 WT1 9037 TIP3 H2 HT 0.417000 1.0080 0
+ 12270 WT1 9039 TIP3 OH2 OT -0.834000 15.9994 0
+ 12271 WT1 9039 TIP3 H1 HT 0.417000 1.0080 0
+ 12272 WT1 9039 TIP3 H2 HT 0.417000 1.0080 0
+ 12273 WT1 9044 TIP3 OH2 OT -0.834000 15.9994 0
+ 12274 WT1 9044 TIP3 H1 HT 0.417000 1.0080 0
+ 12275 WT1 9044 TIP3 H2 HT 0.417000 1.0080 0
+ 12276 WT1 9047 TIP3 OH2 OT -0.834000 15.9994 0
+ 12277 WT1 9047 TIP3 H1 HT 0.417000 1.0080 0
+ 12278 WT1 9047 TIP3 H2 HT 0.417000 1.0080 0
+ 12279 WT1 9054 TIP3 OH2 OT -0.834000 15.9994 0
+ 12280 WT1 9054 TIP3 H1 HT 0.417000 1.0080 0
+ 12281 WT1 9054 TIP3 H2 HT 0.417000 1.0080 0
+ 12282 WT1 9055 TIP3 OH2 OT -0.834000 15.9994 0
+ 12283 WT1 9055 TIP3 H1 HT 0.417000 1.0080 0
+ 12284 WT1 9055 TIP3 H2 HT 0.417000 1.0080 0
+ 12285 WT1 9056 TIP3 OH2 OT -0.834000 15.9994 0
+ 12286 WT1 9056 TIP3 H1 HT 0.417000 1.0080 0
+ 12287 WT1 9056 TIP3 H2 HT 0.417000 1.0080 0
+ 12288 WT1 9057 TIP3 OH2 OT -0.834000 15.9994 0
+ 12289 WT1 9057 TIP3 H1 HT 0.417000 1.0080 0
+ 12290 WT1 9057 TIP3 H2 HT 0.417000 1.0080 0
+ 12291 WT1 9058 TIP3 OH2 OT -0.834000 15.9994 0
+ 12292 WT1 9058 TIP3 H1 HT 0.417000 1.0080 0
+ 12293 WT1 9058 TIP3 H2 HT 0.417000 1.0080 0
+ 12294 WT1 9073 TIP3 OH2 OT -0.834000 15.9994 0
+ 12295 WT1 9073 TIP3 H1 HT 0.417000 1.0080 0
+ 12296 WT1 9073 TIP3 H2 HT 0.417000 1.0080 0
+ 12297 WT1 9079 TIP3 OH2 OT -0.834000 15.9994 0
+ 12298 WT1 9079 TIP3 H1 HT 0.417000 1.0080 0
+ 12299 WT1 9079 TIP3 H2 HT 0.417000 1.0080 0
+ 12300 WT1 9080 TIP3 OH2 OT -0.834000 15.9994 0
+ 12301 WT1 9080 TIP3 H1 HT 0.417000 1.0080 0
+ 12302 WT1 9080 TIP3 H2 HT 0.417000 1.0080 0
+ 12303 WT1 9082 TIP3 OH2 OT -0.834000 15.9994 0
+ 12304 WT1 9082 TIP3 H1 HT 0.417000 1.0080 0
+ 12305 WT1 9082 TIP3 H2 HT 0.417000 1.0080 0
+ 12306 WT1 9084 TIP3 OH2 OT -0.834000 15.9994 0
+ 12307 WT1 9084 TIP3 H1 HT 0.417000 1.0080 0
+ 12308 WT1 9084 TIP3 H2 HT 0.417000 1.0080 0
+ 12309 WT1 9085 TIP3 OH2 OT -0.834000 15.9994 0
+ 12310 WT1 9085 TIP3 H1 HT 0.417000 1.0080 0
+ 12311 WT1 9085 TIP3 H2 HT 0.417000 1.0080 0
+ 12312 WT1 9093 TIP3 OH2 OT -0.834000 15.9994 0
+ 12313 WT1 9093 TIP3 H1 HT 0.417000 1.0080 0
+ 12314 WT1 9093 TIP3 H2 HT 0.417000 1.0080 0
+ 12315 WT1 9096 TIP3 OH2 OT -0.834000 15.9994 0
+ 12316 WT1 9096 TIP3 H1 HT 0.417000 1.0080 0
+ 12317 WT1 9096 TIP3 H2 HT 0.417000 1.0080 0
+ 12318 WT1 9097 TIP3 OH2 OT -0.834000 15.9994 0
+ 12319 WT1 9097 TIP3 H1 HT 0.417000 1.0080 0
+ 12320 WT1 9097 TIP3 H2 HT 0.417000 1.0080 0
+ 12321 WT1 9102 TIP3 OH2 OT -0.834000 15.9994 0
+ 12322 WT1 9102 TIP3 H1 HT 0.417000 1.0080 0
+ 12323 WT1 9102 TIP3 H2 HT 0.417000 1.0080 0
+ 12324 WT1 9105 TIP3 OH2 OT -0.834000 15.9994 0
+ 12325 WT1 9105 TIP3 H1 HT 0.417000 1.0080 0
+ 12326 WT1 9105 TIP3 H2 HT 0.417000 1.0080 0
+ 12327 WT1 9106 TIP3 OH2 OT -0.834000 15.9994 0
+ 12328 WT1 9106 TIP3 H1 HT 0.417000 1.0080 0
+ 12329 WT1 9106 TIP3 H2 HT 0.417000 1.0080 0
+ 12330 WT1 9108 TIP3 OH2 OT -0.834000 15.9994 0
+ 12331 WT1 9108 TIP3 H1 HT 0.417000 1.0080 0
+ 12332 WT1 9108 TIP3 H2 HT 0.417000 1.0080 0
+ 12333 WT1 9116 TIP3 OH2 OT -0.834000 15.9994 0
+ 12334 WT1 9116 TIP3 H1 HT 0.417000 1.0080 0
+ 12335 WT1 9116 TIP3 H2 HT 0.417000 1.0080 0
+ 12336 WT1 9124 TIP3 OH2 OT -0.834000 15.9994 0
+ 12337 WT1 9124 TIP3 H1 HT 0.417000 1.0080 0
+ 12338 WT1 9124 TIP3 H2 HT 0.417000 1.0080 0
+ 12339 WT1 9125 TIP3 OH2 OT -0.834000 15.9994 0
+ 12340 WT1 9125 TIP3 H1 HT 0.417000 1.0080 0
+ 12341 WT1 9125 TIP3 H2 HT 0.417000 1.0080 0
+ 12342 WT1 9127 TIP3 OH2 OT -0.834000 15.9994 0
+ 12343 WT1 9127 TIP3 H1 HT 0.417000 1.0080 0
+ 12344 WT1 9127 TIP3 H2 HT 0.417000 1.0080 0
+ 12345 WT1 9128 TIP3 OH2 OT -0.834000 15.9994 0
+ 12346 WT1 9128 TIP3 H1 HT 0.417000 1.0080 0
+ 12347 WT1 9128 TIP3 H2 HT 0.417000 1.0080 0
+ 12348 WT1 9129 TIP3 OH2 OT -0.834000 15.9994 0
+ 12349 WT1 9129 TIP3 H1 HT 0.417000 1.0080 0
+ 12350 WT1 9129 TIP3 H2 HT 0.417000 1.0080 0
+ 12351 WT1 9134 TIP3 OH2 OT -0.834000 15.9994 0
+ 12352 WT1 9134 TIP3 H1 HT 0.417000 1.0080 0
+ 12353 WT1 9134 TIP3 H2 HT 0.417000 1.0080 0
+ 12354 WT1 9136 TIP3 OH2 OT -0.834000 15.9994 0
+ 12355 WT1 9136 TIP3 H1 HT 0.417000 1.0080 0
+ 12356 WT1 9136 TIP3 H2 HT 0.417000 1.0080 0
+ 12357 WT1 9142 TIP3 OH2 OT -0.834000 15.9994 0
+ 12358 WT1 9142 TIP3 H1 HT 0.417000 1.0080 0
+ 12359 WT1 9142 TIP3 H2 HT 0.417000 1.0080 0
+ 12360 WT1 9144 TIP3 OH2 OT -0.834000 15.9994 0
+ 12361 WT1 9144 TIP3 H1 HT 0.417000 1.0080 0
+ 12362 WT1 9144 TIP3 H2 HT 0.417000 1.0080 0
+ 12363 WT1 9157 TIP3 OH2 OT -0.834000 15.9994 0
+ 12364 WT1 9157 TIP3 H1 HT 0.417000 1.0080 0
+ 12365 WT1 9157 TIP3 H2 HT 0.417000 1.0080 0
+ 12366 WT1 9158 TIP3 OH2 OT -0.834000 15.9994 0
+ 12367 WT1 9158 TIP3 H1 HT 0.417000 1.0080 0
+ 12368 WT1 9158 TIP3 H2 HT 0.417000 1.0080 0
+ 12369 WT1 9161 TIP3 OH2 OT -0.834000 15.9994 0
+ 12370 WT1 9161 TIP3 H1 HT 0.417000 1.0080 0
+ 12371 WT1 9161 TIP3 H2 HT 0.417000 1.0080 0
+ 12372 WT1 9162 TIP3 OH2 OT -0.834000 15.9994 0
+ 12373 WT1 9162 TIP3 H1 HT 0.417000 1.0080 0
+ 12374 WT1 9162 TIP3 H2 HT 0.417000 1.0080 0
+ 12375 WT1 9165 TIP3 OH2 OT -0.834000 15.9994 0
+ 12376 WT1 9165 TIP3 H1 HT 0.417000 1.0080 0
+ 12377 WT1 9165 TIP3 H2 HT 0.417000 1.0080 0
+ 12378 WT1 9171 TIP3 OH2 OT -0.834000 15.9994 0
+ 12379 WT1 9171 TIP3 H1 HT 0.417000 1.0080 0
+ 12380 WT1 9171 TIP3 H2 HT 0.417000 1.0080 0
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+
+
+ 1 0 !NGRP
+ 0 0 0
+
+ 20 !NCRTERM: cross-terms
+ 18 20 22 29 20 22 29 31
+ 29 31 33 45 31 33 45 47
+ 45 47 49 55 47 49 55 57
+ 55 57 59 62 57 59 62 64
+ 62 64 66 81 64 66 81 83
+ 81 83 85 103 83 85 103 105
+ 103 105 107 125 105 107 125 127
+ 125 127 129 142 127 129 142 144
+ 142 144 146 162 144 146 162 164
+ 162 164 166 179 164 166 179 181
+ 179 181 183 201 181 183 201 203
+ 201 203 205 211 203 205 211 213
+ 211 213 215 225 213 215 225 227
+ 225 227 229 242 227 229 242 244
+ 242 244 246 264 244 246 264 266
+ 264 266 268 280 266 268 280 282
+ 280 282 284 291 282 284 291 293
+ 291 293 295 306 293 295 306 308
+ 306 308 310 328 308 310 328 330
+ 328 330 332 344 330 332 344 349
+
Added: SwiftApps/subjobs/namd/input_files/par_all22_prot.inp
===================================================================
--- SwiftApps/subjobs/namd/input_files/par_all22_prot.inp (rev 0)
+++ SwiftApps/subjobs/namd/input_files/par_all22_prot.inp 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,3330 @@
+*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<<
+*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<<
+*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<<
+* All comments to ADM jr. via the CHARMM web site: www.charmm.org
+* parameter set discussion forum
+*
+
+! references
+!
+!PROTEINS
+!
+!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the
+!treatment of backbone energetics in protein force fields: limitations
+!of gas-phase quantum mechanics in reproducing protein conformational
+!distributions in molecular dynamics simulations, Journal of
+!Computational Chemistry, 25: 1400-1415, 2004.
+!
+!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.;
+!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.;
+!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos,
+!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III,
+!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.;
+!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom
+!empirical potential for molecular modeling and dynamics Studies of
+!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616.
+!
+!IONS (see lipid and nucleic acid topology and parameter files for
+!additional ions
+!
+!ZINC
+!
+!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and
+!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS:
+!Structure, Function, and Genetics 23:12-31 (1995)
+!
+
+BONDS
+!
+!V(bond) = Kb(b - b0)**2
+!
+!Kb: kcal/mole/A**2
+!b0: A
+!
+!atom type Kb b0
+!
+NH2 CT1 240.00 1.455 ! From LSN NH2-CT2
+!Carbon Dioxide
+CST OST 937.96 1.1600 ! JES
+!Heme to Sulfate (PSUL) link
+SS FE 250.0 2.3200 !force constant a guess
+ !equilbrium bond length optimized to reproduce
+ !CSD survey values of
+ !2.341pm0.01 (mean, standard error)
+ !adm jr., 7/01
+C C 600.000 1.3350 ! ALLOW ARO HEM
+ ! Heme vinyl substituent (KK, from propene (JCS))
+CA CA 305.000 1.3750 ! ALLOW ARO
+ ! benzene, JES 8/25/89
+CE1 CE1 440.000 1.3400 !
+ ! for butene; from propene, yin/adm jr., 12/95
+CE1 CE2 500.000 1.3420 !
+ ! for propene, yin/adm jr., 12/95
+CE1 CT2 365.000 1.5020 !
+ ! for butene; from propene, yin/adm jr., 12/95
+CE1 CT3 383.000 1.5040 !
+ ! for butene, yin/adm jr., 12/95
+CE2 CE2 510.000 1.3300 !
+ ! for ethene, yin/adm jr., 12/95
+CP1 C 250.000 1.4900 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP1 CC 250.000 1.4900 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP1 CD 200.000 1.4900 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP1 222.500 1.5270 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP2 222.500 1.5370 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 CP2 222.500 1.5370 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CPB CE1 450.000 1.3800 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CPB CPA 299.800 1.4432 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPB CPB 340.700 1.3464 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPH1 CPH1 410.000 1.3600 ! ALLOW ARO
+ ! histidine, adm jr., 6/27/90
+CPM CPA 360.000 1.3716 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPT CA 305.000 1.3680 ! ALLOW ARO
+ ! adm jr., 12/30/91, for jwk
+CPT CPT 360.000 1.4000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO
+ ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91)
+CT1 CC 200.000 1.5220 ! ALLOW POL
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+CT1 CD 200.000 1.5220 ! ALLOW POL
+ ! adm jr. 5/02/91, acetic acid pure solvent
+CT1 CT1 222.500 1.5000 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO
+ ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91)
+CT2 CA 230.000 1.4900 ! ALLOW ALI ARO
+ ! phe,tyr, JES 8/25/89
+CT2 CC 200.000 1.5220 ! ALLOW POL
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+CT2 CD 200.000 1.5220 ! ALLOW POL
+ ! adm jr. 5/02/91, acetic acid pure solvent
+CT2 CPB 230.000 1.4900 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CT2 CPH1 229.630 1.5000 ! ALLOW ARO
+ ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals
+CT2 CT1 222.500 1.5380 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT2 CT2 222.500 1.5300 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO
+ ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91)
+CT3 CA 230.000 1.4900 ! ALLOW ALI ARO
+ ! toluene, adm jr. 3/7/92
+CT3 CC 200.000 1.5220 ! ALLOW POL
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+CT3 CD 200.000 1.5220 ! ALLOW POL
+ ! adm jr. 5/02/91, acetic acid pure solvent
+CT3 CPB 230.000 1.4900 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CT3 CPH1 229.630 1.5000 ! ALLOW ARO
+ ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals
+CT3 CS 190.000 1.5310 ! ALLOW SUL
+ ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+CT3 CT1 222.500 1.5380 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT3 CT2 222.500 1.5280 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT3 CT3 222.500 1.5300 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CY CA 350.000 1.3650 ! ALLOW ARO
+ !adm jr., 5/08/91, indole CCDB structure search
+CY CPT 350.000 1.4400 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+CY CT2 230.000 1.5100 ! ALLOW ARO
+ !JWK Kb from alkane freq.. b0 from TRP crystal
+FE CM 258.000 1.9000 ! ALLOW HEM
+ ! Heme (6-liganded): CO ligand (KK 05/13/91)
+FE CPM 0.000 3.3814 ! ALLOW HEM
+ ! Heme (6-liganded): for "ic para" only (KK 05/13/91)
+H CD 330.000 1.1100 ! ALLOW PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+!HA C 330.000 1.1000 ! ALLOW ARO HEM
+ ! Heme vinyl substituent (KK, from propene (JCS))
+HA CA 340.000 1.0830 ! ALLOW ARO
+ ! trp, adm jr., 10/02/89
+HA CC 317.130 1.1000 ! ALLOW POL
+ ! adm jr., 5/13/91, formamide geometry and vibrations
+HA CP2 309.000 1.1110 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CP3 309.000 1.1110 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CPM 367.600 1.0900 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+HA CS 300.000 1.1110 ! ALLOW SUL
+ ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+HA CT1 309.000 1.1110 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT2 309.000 1.1110 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT3 322.000 1.1110 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CY 330.000 1.0800 ! ALLOW ARO
+ ! JWK 05/14/91 new r0 from indole
+HE1 CE1 360.500 1.1000 !
+ ! for propene, yin/adm jr., 12/95
+HE2 CE2 365.000 1.1000 !
+ ! for ethene, yin/adm jr., 12/95
+HB CP1 330.000 1.0800 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HB CT1 330.000 1.0800 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT2 330.000 1.0800 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT3 330.000 1.0800 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HP CA 340.000 1.0800 ! ALLOW ARO
+ ! phe,tyr JES 8/25/89
+HP CY 350.000 1.0800 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+HR1 CPH1 375.000 1.0830 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR1 CPH2 340.000 1.0900 ! ALLOW ARO
+ ! his, adm jr., 6/28/29
+HR2 CPH2 333.000 1.0700 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR3 CPH1 365.000 1.0830 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HT HT 0.000 1.5139 ! ALLOW WAT
+ ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM)
+N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CP1 320.000 1.4340 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CP3 320.000 1.4550 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO
+ ! 403.0->463.0, 1.305->1.365 guanidinium (KK)
+NC2 CT2 261.000 1.4900 ! ALLOW ALI POL
+ ! arg, (DS)
+NC2 CT3 261.000 1.4900 ! ALLOW ALI POL
+ ! methylguanidinium, adm jr., 3/26/92
+NC2 HC 455.000 1.0000 ! ALLOW POL
+ ! 405.0->455.0 GUANIDINIUM (KK)
+NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO
+ ! NMA Gas & Liquid Phase IR Spectra (LK)
+NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO
+ ! NMA Gas & Liquid Phase IR Spectra (LK)
+NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO
+ ! NMA Gas & Liquid Phase IR Spectra (LK)
+NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO
+ ! (DS)
+NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO
+ ! adm jr. 4/10/91, acetamide
+NH2 CT2 240.000 1.4550
+ ! from NH2 CT3, neutral glycine, adm jr.
+NH2 CT3 240.000 1.4550 ! ALLOW POL
+ ! methylamine geom/freq, adm jr., 6/2/92
+NH2 H 480.000 1.0000 ! ALLOW POL
+ ! adm jr. 8/13/90 acetamide geometry and vibrations
+NH2 HC 460.000 1.0000 ! ALLOW POL
+ ! methylamine geom/freq, adm jr., 6/2/92
+NH3 CT1 200.000 1.4800 ! ALLOW ALI POL
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+NH3 CT2 200.000 1.4800 ! ALLOW ALI POL
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+NH3 CT3 200.000 1.4800 ! ALLOW ALI POL
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+NH3 HC 403.000 1.0400 ! ALLOW POL
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+NP CP1 320.000 1.4850 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP CP3 320.000 1.5020 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP HC 460.000 1.0060 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NPH CPA 377.200 1.3757 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NPH FE 270.200 1.9580 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NR1 CPH1 400.000 1.3800 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR1 CPH2 400.000 1.3600 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR1 H 466.000 1.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR2 CPH1 400.000 1.3800 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR2 CPH2 400.000 1.3200 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR2 FE 65.000 2.2000 ! ALLOW HEM
+ ! Heme (6-liganded): His ligand (KK 05/13/91)
+NR3 CPH1 380.000 1.3700 ! ALLOW ARO
+ ! his, adm jr., 6/28/90
+NR3 CPH2 380.000 1.3200 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR3 H 453.000 1.0000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NY CA 270.000 1.3700 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+NY CPT 270.000 1.3750 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+NY H 465.000 0.9760 ! ALLOW ARO
+ ! indole JWK 08/28/89
+O C 620.000 1.2300 ! ALLOW PEP POL ARO
+ ! Peptide geometry, condensed phase (LK)
+O CC 650.000 1.2300 ! ALLOW PEP POL ARO
+ ! adm jr. 4/10/91, acetamide
+OB CC 750.000 1.2200 ! ALLOW PEP POL ARO
+ ! adm jr., 10/17/90, acetic acid vibrations and geom.
+OB CD 750.000 1.2200 ! ALLOW PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION
+ ! adm jr. 8/27/91, phenoxide
+OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION
+ ! adm jr. 7/23/91, acetic acid
+OC CT2 450.000 1.3300 ! ALLOW ALC
+ ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92
+OC CT3 450.000 1.3300 ! ALLOW ALC
+ ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92
+OH1 CA 334.300 1.4110 ! ALLOW ARO ALC
+ ! MeOH, EMB 10/10/89,
+OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC
+ ! adm jr. 5/02/91, acetic acid pure solvent
+OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO
+ ! methanol vib fit EMB 11/21/89
+OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO
+ ! methanol vib fit EMB 11/21/89
+OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO
+ ! methanol vib fit EMB 11/21/89
+OH1 H 545.000 0.9600 ! ALLOW ALC ARO
+ ! EMB 11/21/89 methanol vib fit
+OM CM 1115.000 1.1280 ! ALLOW HEM
+ ! Heme (6-liganded): CO ligand (KK 05/13/91)
+OM FE 250.000 1.8000 ! ALLOW HEM
+ ! Heme (6-liganded): O2 ligand (KK 05/13/91)
+OM OM 600.000 1.2300 ! ALLOW HEM
+ ! Heme (6-liganded): O2 ligand (KK 05/13/91)
+OS CD 150.000 1.3340 ! ALLOW POL PEP
+ ! adm jr. 5/02/91, acetic acid pure solvent
+OS CT3 340.000 1.4300 ! ALLOW POL PEP
+ ! adm jr., 4/05/91, for PRES CT1 from methylacetate
+OT HT 450.000 0.9572 ! ALLOW WAT
+ ! FROM TIPS3P GEOM
+S CT2 198.000 1.8180 ! ALLOW ALI SUL ION
+ ! fitted to C-S s 9/26/92 (FL)
+S CT3 240.000 1.8160 ! ALLOW ALI SUL ION
+ ! fitted to C-S s 9/26/92 (FL)
+S HS 275.000 1.3250 ! ALLOW SUL ION
+ ! methanethiol pure solvent, adm jr., 6/22/92
+SM CT2 214.000 1.8160 ! ALLOW SUL ION
+ ! improved CSSC dihedral in DMDS 5/15/92 (FL)
+SM CT3 214.000 1.8160 ! ALLOW SUL ION
+ ! improved CSSC dihedral in DMDS 5/15/92 (FL)
+SM SM 173.000 2.0290 ! ALLOW SUL ION
+ ! improved CSSC dihedral in DMDS 5/15/92 (FL)
+SS CS 205.000 1.8360 ! ALLOW SUL
+ ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+
+ANGLES
+!
+!V(angle) = Ktheta(Theta - Theta0)**2
+!
+!V(Urey-Bradley) = Kub(S - S0)**2
+!
+!Ktheta: kcal/mole/rad**2
+!Theta0: degrees
+!Kub: kcal/mole/A**2 (Urey-Bradley)
+!S0: A
+!
+!atom types Ktheta Theta0 Kub S0
+!
+H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2
+NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2
+NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2
+CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1
+CT3 CT1 CD 52.000 108.00 ! Ala cter
+NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA
+NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C
+!Carbon Dioxide, JES
+OST CST OST 3000.00 180.0000 ! CO2, JES
+!Heme to Sulfate (PSUL) link
+CS SS FE 50.0 100.6 !force constant a guess
+ !equilibrium angle optimized to reproduce
+ !CSD survey values
+ !107.5pm0.6 (mean, standard error)
+ !adm jr., 7/01
+SS FE NPH 100.0 90.0 !force constant a guess
+ !adm jr., 7/01
+!
+CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO
+ ! JES 8/25/89
+CE1 CE1 CT2 48.00 123.50 !
+ ! for 2-butene, yin/adm jr., 12/95
+CE1 CE1 CT3 48.00 123.50 !
+ ! for 2-butene, yin/adm jr., 12/95
+CE1 CT2 CT3 32.00 112.20 !
+ ! for 1-butene; from propene, yin/adm jr., 12/95
+CE2 CE1 CT2 48.00 126.00 !
+ ! for 1-butene; from propene, yin/adm jr., 12/95
+CE2 CE1 CT3 47.00 125.20 !
+ ! for propene, yin/adm jr., 12/95
+CP1 N C 60.000 117.0000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP1 C 52.000 112.3000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 N C 60.000 117.0000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 N CP1 100.000 114.2000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 NP CP1 100.000 111.0000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CPA CPB CE1 70.000 126.7400 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CPA CPM CPA 94.200 125.1200 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPA NPH CPA 139.300 103.9000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CPB CPB CE1 70.000 126.7500 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CPB CPB CPA 30.800 106.5100 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+CPM CPA CPB 61.600 124.0700 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPT CA CA 60.000 118.0000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+CPT CPT CA 60.000 122.0000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+CPT NY CA 110.000 108.0000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO
+ ! PARALLH19 (JES)
+CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted
+CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI
+ ! alkane frequencies (MJF), alkane geometries (SF)
+CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO
+ ! NMA Vib Modes (LK)
+CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO
+ ! PARALLH19 (JES)
+CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS
+CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! from CT2 CT1 C, for lactams, adm jr.
+CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI
+ ! alkane frequencies (MJF), alkane geometries (SF)
+CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI
+ ! alkane frequencies (MJF), alkane geometries (SF)
+CT2 CY CA 45.800 129.4000 ! ALLOW ARO
+ !adm jr., 5/08/91, indole CCDB structure search
+CT2 CY CPT 45.800 124.0000 ! ALLOW ARO
+ !adm jr., 5/08/91, indole CCDB structure search
+CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO
+ ! 107.5->120.0 to make planar Arg (KK)
+CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO
+ ! NMA Vib Modes (LK)
+CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP
+ ! adm jr. 5/02/91, acetic acid pure solvent
+CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO
+ ! toluene, adm jr., 3/7/92
+CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS
+CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/09/92, for ALA cter
+CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO
+ ! ethylbenzene, adm jr., 3/7/92
+CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted
+CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI
+ ! alkane frequencies (MJF), alkane geometries (SF)
+CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO
+ ! methylguanidinium, adm jr., 3/26/92
+CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO
+ ! NMA Vib Modes (LK)
+CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP
+ ! adm jr. 5/02/91, acetic acid pure solvent
+CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION
+ ! expt. MeEtS, 3/26/92 (FL)
+CY CPT CA 160.000 130.6000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+CY CPT CPT 110.000 107.4000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+CY CT2 CT1 58.350 114.0000 ! ALLOW ARO
+ ! from TRP crystal, JWK
+CY CT2 CT3 58.350 114.0000 ! ALLOW ARO
+ ! from TRP crystal, JWK
+FE NPH CPA 96.150 128.0500 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM
+ ! Heme (6-liganded): ligand links (KK 05/13/91)
+FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM
+ ! Heme (6-liganded): ligand links (KK 05/13/91)
+H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO
+ ! NMA Vib Modes (LK)
+H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI
+ ! NMA Vibrational Modes (LK)
+H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI
+ ! NMA Vibrational Modes (LK)
+H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI
+ ! NMA Vibrational Modes (LK)
+H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO
+ ! his, adm jr. 8/13/90 acetamide geometry and vibrations
+H NH2 H 23.000 120.0000 ! ALLOW POL
+ ! adm jr. 8/13/90 acetamide geometry and vibrations
+H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+H NY CA 28.000 126.0000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+H NY CPT 28.000 126.0000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO
+ ! JES 8/25/89 phenol
+H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL
+ ! adm jr. 5/02/91, acetic acid pure solvent
+H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI
+ ! methanol vib fit EMB 11/21/89
+H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI
+ ! methanol vib fit EMB 11/21/89
+H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI
+ ! methanol vib fit EMB 11/21/89
+!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO
+ ! Heme vinyl substituent (KK from propene (JCS))
+!HA C CPB 50.000 120.0000 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO
+ ! Heme vinyl substituent (KK from propene (JCS))
+HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO
+ ! trp, adm jr., 10/02/89
+HA CA CPT 41.000 122.0000 ! ALLOW ARO
+ !adm jr., 5/08/91, indole CCDB structure search
+HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO
+ ! JWK 05/14/91 new theta0 and r0UB from indole
+HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CPM CPA 12.700 117.4400 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+HA CPM FE 0.000 180.0000 ! ALLOW HEM
+ ! Heme (6-liganded): for "ic para" only (KK 05/13/91)
+HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL
+ ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL
+ ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO
+ ! alanine dipeptide, LK, replaced, adm jr., 5/09/91
+HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd
+ ! based on HA CT2 HA
+HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO
+ ! alanine dipeptide, LK, replaced, adm jr., 5/09/91
+HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO
+ ! PARALLH19 (JES)
+HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+HA CT2 CE1 45.00 111.50 !
+ ! for 1-butene; from propene, yin/adm jr., 12/95
+HA CT2 CPB 50.000 109.5000 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED
+HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI
+ ! alkane frequencies (MJF), alkane geometries (SF)
+HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT2 CY 33.430 109.5000 ! ALLOW ARO
+ ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA
+HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO
+ ! alanine dipeptide, LK, replaced, adm jr., 5/09/91
+HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO
+ ! toluene, adm jr. 3/7/92
+HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+HA CT3 CE1 42.00 111.50 !
+ ! for 2-butene, yin/adm jr., 12/95
+HA CT3 CPB 50.000 109.5000 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED
+HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL
+ ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI
+ ! alkane frequencies (MJF), alkane geometries (SF)
+HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO
+ ! JWK 05/14/91 new theta0 and r0UB from indole
+HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO
+ ! JWK 05/14/91 new theta0 and r0UB from indole
+HE1 CE1 CE1 52.00 119.50 !
+ ! for 2-butene, yin/adm jr., 12/95
+HE1 CE1 CE2 42.00 118.00 !
+ ! for propene, yin/adm jr., 12/95
+HE1 CE1 CT2 40.00 116.00 !
+ ! for 1-butene; from propene, yin/adm jr., 12/95
+HE1 CE1 CT3 22.00 117.00 !
+ ! for propene, yin/adm jr., 12/95
+HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+HE2 CE2 CE1 45.00 120.50 !
+ ! for propene, yin/adm jr., 12/95
+HE2 CE2 CE2 55.50 120.50 !
+ ! for ethene, yin/adm jr., 12/95
+HE2 CE2 HE2 19.00 119.00 !
+ ! for propene, yin/adm jr., 12/95
+HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HB CT1 C 50.000 109.5000 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL
+ ! adm jr. 5/02/91, acetic acid pure solvent
+HB CT1 CT1 35.000 111.0000 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT1 CT2 35.000 111.0000 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT1 CT3 35.000 111.0000 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT2 C 50.000 109.5000 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL
+ ! adm jr. 5/02/91, acetic acid pure solvent
+HB CT2 HB 36.000 115.0000 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT3 C 50.000 109.5000 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO
+ ! 35.3->49.0 GUANIDINIUM (KK)
+HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI
+ ! 107.5->120.0 to make planar Arg (KK)
+HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI
+ ! methylguanidinium, adm jr., 3/26/92
+HC NC2 HC 25.000 120.0000 ! ALLOW POL
+ ! 40.0->25.0 GUANIDINIUM (KK)
+HC NH2 CT2 50.000 111.0000 ! ALLOW POL
+ ! from HC NH2 CT3, neutral glycine, adm jr.
+HC NH2 CT3 50.000 111.0000 ! ALLOW POL
+ ! methylamine geom/freq, adm jr., 6/2/92
+HC NH2 HC 39.000 106.5000 ! ALLOW POL
+ ! 40.0->25.0 GUANIDINIUM (KK)
+HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+HC NH3 HC 44.000 109.5000 ! ALLOW POL
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HC NP HC 51.000 107.5000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO
+ ! JES 8/25/89 benzene
+HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO
+ ! JWK 05/14/91 new theta0 and r0UB from indole
+HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO
+ ! JWK 05/14/91 new theta0 and r0UB from indole
+HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO
+ ! adm jr., 6/27/90, his
+HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI
+ ! methanethiol pure solvent, adm jr., 6/22/92
+HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI
+ ! methanethiol pure solvent, adm jr., 6/22/92
+HT OT HT 55.000 104.5200 ! ALLOW WAT
+ ! TIP3P GEOMETRY, ADM JR.
+N C CP1 20.000 112.5000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CP1 C 50.000 108.2000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CP1 CC 50.000 108.2000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CP1 CP2 70.000 110.8000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CP3 CP2 70.000 110.5000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO
+ ! changed from 60.0/120.3 for guanidinium (KK)
+NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL
+ ! arg, (DS)
+NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL
+ ! arg, (DS)
+NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL
+ ! methylguanidinium, adm jr., 3/26/92
+NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO
+ ! NMA Vib Modes (LK)
+NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO
+ ! NMA Vib Modes (LK)
+NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO
+ ! NMA Vib Modes (LK)
+NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI
+ ! adm jr. 5/02/91, acetic acid pure solvent
+NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI
+ ! adm jr. 5/20/92, for asn,asp,gln,glu and cters
+NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI
+ ! adm jr. 5/02/91, acetic acid pure solvent
+NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO
+ ! from NH1 CT1 CT2, for lactams, adm jr.
+NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO
+ ! from NH1 CT3 HA, for lactams, adm jr.
+NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO
+ ! NMA crystal (JCS)
+NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 8/13/90 acetamide geometry and vibrations
+NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 8/13/90 acetamide geometry and vibrations
+NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 8/13/90 acetamide geometry and vibrations
+NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL
+ ! adm jr., 5/13/91, formamide geometry and vibrations
+NH2 CT2 HA 38.000 109.50 50.00 2.14000
+ !from NH2 CT3 HA, neutral lysine
+NH2 CT2 HB 38.000 109.50 50.00 2.14000
+ !from NH2 CT3 HA, neutral glycine, adm jr.
+NH2 CT2 CD 52.000 108.0000
+ !from CT2 CT2 CD, neutral glycine, adm jr.
+NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL
+ !from NH3 CT2 CT2, neutral lysine
+NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL
+ ! methylamine geom/freq, adm jr., 6/2/92
+NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI
+ ! new aliphatics, adm jr., 2/3/92
+NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL
+ ! new aliphatics, adm jr., 2/3/92
+NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL
+ ! new aliphatics, adm jr., 2/3/92
+NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL
+ ! new aliphatics, adm jr., 2/3/92
+NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP
+ ! new aliphatics, adm jr., 2/3/92
+NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI
+ ! alanine (JCS)
+NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI
+ ! adm jr. 5/02/91, acetic acid pure solvent
+NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL
+ ! alanine (JCS)
+NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL
+ ! alanine (JCS)
+NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP
+ ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK)
+NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL
+ ! new stretch and bend; methylammonium (KK 03/10/92)
+NP CP1 C 50.000 106.0000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP CP1 CC 50.000 106.0000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP CP1 CP2 70.000 108.5000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP CP3 CP2 70.000 108.5000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NPH CPA CPB 122.000 111.5400 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NPH CPA CPM 88.000 124.3900 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NPH FE CM 50.000 90.0000 ! ALLOW HEM
+ ! Heme (6-liganded): ligand links (KK 05/13/91)
+NPH FE CPM 0.000 45.0000 ! ALLOW HEM
+ ! Heme (6-liganded): for "ic para" only (KK 05/13/91)
+NPH FE NPH 14.390 90.0000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FC FROM CA CT2CT
+NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FC FROM CA CT2CT
+NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FC FROM CA CT2CT
+NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR2 FE CM 50.000 180.0000 ! ALLOW HEM
+ ! Heme (6-liganded): ligand links (KK 05/13/91)
+NR2 FE NPH 50.000 90.0000 ! ALLOW HEM
+ ! Heme (6-liganded): ligand links (KK 05/13/91)
+NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FC FROM CA CT2CT
+NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO
+ ! JWK 05/14/91 new theta0 and r0UB from indole
+NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO
+ ! JWK 05/14/91 new theta0 and r0UB from indole
+NY CPT CA 160.000 130.6000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+NY CPT CPT 110.000 107.4000 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+O C CP1 80.000 118.0000 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO
+ ! Alanine Dipeptide ab initio calc's (LK)
+O C H 50.000 121.7000 ! ALLOW PEP POL ARO
+ ! acetaldehyde (JCS)
+O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO
+ ! NMA Vib Modes (LK)
+O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/10/91, acetamide update
+O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/10/91, acetamide update
+O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 4/10/91, acetamide update
+O CC HA 44.000 122.0000 ! ALLOW POL
+ ! adm jr., 5/13/91, formamide geometry and vibrations
+O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO
+ ! adm jr. 4/10/91, acetamide update
+OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO
+ ! adm jr. 5/02/91, acetic acid pure solvent
+OC CA CA 40.000 120.0000 ! ALLOW POL ARO
+ ! adm jr. 8/27/91, phenoxide
+OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION
+ ! adm jr. 7/23/91, correction, ACETATE (KK)
+OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION
+ ! adm jr. 7/23/91, correction, ACETATE (KK)
+OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION
+ ! adm jr. 7/23/91, correction, ACETATE (KK)
+OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO
+ ! adm jr. 7/23/91, correction, ACETATE (KK)
+OC CT2 CT3 65.000 122.0000 ! ALLOW ALC
+ ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92
+OC CT2 HA 65.000 118.3000 ! ALLOW ALC
+ ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92
+OC CT3 HA 65.000 118.3000 ! ALLOW ALC
+ ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92
+OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC
+ ! PARALLH19 WITH [122.3] (JES)
+OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC
+ ! adm jr, 10/17/90, acetic acid vibrations
+OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC
+ ! adm jr, 10/17/90, acetic acid vibrations
+OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC
+ ! adm jr, 10/17/90, acetic acid vibrations
+OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO
+ ! MeOH, EMB, 10/10/89
+OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO
+ ! MeOH, EMB, 10/10/89
+OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO
+ ! MeOH, EMB, 10/10/89
+OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO
+ ! MeOH, EMB, 10/10/89
+OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO
+ ! MeOH, EMB, 10/10/89
+OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO
+ ! MeOH, EMB, 10/10/89
+OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO
+ ! MeOH, EMB, 10/10/89
+OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO
+ ! MeOH, EMB, 10/10/89
+OM CM FE 35.000 180.0000 ! ALLOW HEM
+ ! Heme (6-liganded): ligand links (KK 05/13/91)
+OM FE NPH 5.000 90.0000 ! ALLOW HEM
+ ! Heme (6-liganded): ligand links (KK 05/13/91)
+OM OM FE 0.000 180.0000 ! ALLOW HEM
+ ! Heme (6-liganded): ligand links (KK 05/13/91)
+OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP
+ ! adm jr., 4/05/91, for PRES CT1 from methylacetate
+OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP
+ ! adm jr., 4/05/91, for PRES CT1 from methylacetate
+OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP
+ ! adm jr., 4/05/91, for PRES CT1 from methylacetate
+OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL
+ ! adm jr. 3/19/92, from lipid methyl acetate
+OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL
+ ! adm jr. 4/05/91, for PRES CT1 from methyl acetate
+OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL
+ ! adm jr. 4/05/91, for PRES CT1 from methyl acetate
+S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION
+ ! as in expt.MeEtS & DALC crystal, 5/15/92
+S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION
+ ! expt. MeEtS, 3/26/92 (FL)
+S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION
+ ! expt. MeEtS, 3/26/92 (FL)
+S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION
+ ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90
+S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION
+ ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90
+SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION
+ ! as in expt.MeEtS & DALC crystal, 5/15/92
+SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION
+ ! as in expt.MeEtS & DALC crystal, 5/15/92
+SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION
+ ! as in expt.MeEtS & DALC crystal, 5/15/92
+SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION
+ ! new S-S atom type 8/24/90
+SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION
+ ! new S-S atom type 8/24/90
+SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION
+ ! expt. dimethyldisulfide, 3/26/92 (FL)
+SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION
+ ! expt. dimethyldisulfide, 3/26/92 (FL)
+SS CS CT3 55.000 118.0000 ! ALLOW SUL
+ ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+SS CS HA 40.000 112.3000 ! ALLOW SUL
+ ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+
+DIHEDRALS
+!
+!V(dihedral) = Kchi(1 + cos(n(chi) - delta))
+!
+!Kchi: kcal/mole
+!n: multiplicity
+!delta: degrees
+!
+!atom types Kchi n delta
+!
+!Neutral N terminus
+NH2 CT1 C O 0.0000 1 0.00
+NH2 CT1 C NH1 0.0000 1 0.00
+H NH2 CT1 CT1 0.0000 1 0.00
+H NH2 CT1 C 0.000 1 0.00
+H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA
+H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2
+H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2
+!Heme to Sulfate (PSUL) link
+X FE SS X 0.0000 4 0.00 ! guess
+ !adm jr., 7/01
+X CS SS X 0.0000 3 0.20 ! guess
+ !from methanethiol, HS S CT3 HA
+ !adm jr., 7/01
+
+C CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO
+ ! JES 8/25/89
+CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO
+ ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92
+CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO
+ ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92
+CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL
+ ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c
+CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL
+ ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c
+CE1 CE1 CT3 HA 0.0300 3 0.00 !
+ ! for butene, yin/adm jr., 12/95
+CE2 CE1 CT2 CT3 0.5000 1 180.00 !
+ ! 1-butene, adm jr., 2/00 update
+CE2 CE1 CT2 CT3 1.3000 3 180.00 !
+ ! 1-butene, adm jr., 2/00 update
+CE2 CE1 CT2 HA 0.1200 3 0.00 !
+ ! for butene, yin/adm jr., 12/95
+CE2 CE1 CT3 HA 0.0500 3 180.00 !
+ ! for propene, yin/adm jr., 12/95
+CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP
+ ! Revised to adjust NMA cis/trans energy difference. (LK)
+CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI
+ ! ethylbenzene ethyl rotation, adm jr. 3/7/92
+CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO
+ ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92
+CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO
+ ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92
+CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO
+ ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92
+CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO
+ ! from ethylbenzene, adm jr., 3/7/92
+CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO
+ ! from ethylbenzene, adm jr., 3/7/92
+CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP
+ ! Revised to adjust NMA cis/trans energy difference. (LK)
+CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP
+ ! Revised to adjust NMA cis/trans energy difference. (LK)
+CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP
+ ! from CT2 C NH1 CT2, adm jr. 10/21/96
+CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP
+ ! from CT2 C NH1 CT2, adm jr. 10/21/96
+CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO
+ ! JES 8/25/89 toluene and ethylbenzene
+CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2
+CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2
+CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO
+ ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89
+CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92, butane trans/gauche
+CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP
+ ! from CT2 CT1 NH1 C, for lactams, adm jr.
+CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK
+CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO
+ !JWK
+CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP
+ ! Revised to adjust NMA cis/trans energy difference. (LK)
+CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION
+ ! improved CSSC dihedral in DMDS 5/15/92 (FL)
+CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION
+ ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL)
+CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION
+ ! improved CSSC dihedral in DMDS 5/15/92 (FL)
+CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP
+ ! Revised to adjust NMA cis/trans energy difference. (LK)
+CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP
+ ! for acetylated GLY N-terminus, adm jr.
+CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP
+ ! for acetylated GLY N-terminus, adm jr.
+CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP
+ ! Revised to adjust NMA cis/trans energy difference. (LK)
+CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO
+ ! toluene, adm jr., 3/7/92
+CT3 CE1 CE2 HE2 5.2000 2 180.00 !
+ ! for propene, yin/adm jr., 12/95
+CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2
+CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI
+ ! ethylbenzene ethyl rotation, adm jr. 3/7/92
+CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO
+ ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92
+CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO
+ ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92
+CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO
+ ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92
+CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92, butane trans/gauche
+CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92, butane trans/gauche
+CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO
+ ! from ethylbenzene, adm jr., 3/7/92
+CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO
+ ! from ethylbenzene, adm jr., 3/7/92
+CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION
+ ! expt. MeEtS, 3/26/92 (FL)
+CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION
+ ! DTN 8/24/90
+CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP
+ ! Revised to adjust NMA cis/trans energy difference. (LK)
+CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION
+ ! expt. MeEtS, 3/26/92 (FL)
+CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION
+ ! expt. MeEtS, 3/26/92 (FL)
+CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION
+ ! improved CSSC dihedral in DMDS 5/15/92 (FL)
+CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION
+ ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL)
+CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION
+ ! improved CSSC dihedral in DMDS 5/15/92 (FL)
+CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL
+ ! adm jr. 5/02/91, acetic acid pure solvent
+H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL
+ ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92
+H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL
+ ! adm jr. 5/02/91, acetic acid pure solvent
+H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP
+ ! from H NH1 CT2 CT3, for lactams, adm jr.
+H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO
+ ! adm jr. 4/10/91, acetamide update
+H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO
+ ! adm jr. 4/10/91, acetamide update
+H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO
+ ! adm jr. 4/10/91, acetamide update
+H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 7/20/89
+H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H
+H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H
+H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA
+H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA
+H NY CA CY 0.8000 2 180.00 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC
+ ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92
+H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC
+ ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC
+ ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC
+ ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC
+ ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC
+ ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC
+ ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC
+ ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC
+ ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC
+ ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC
+ ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC
+ ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC
+ ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC
+ ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC
+ ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC
+ ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93
+HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO
+ ! adm jr., 10/02/89
+HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO
+ ! ADM JR., 10/02/89
+HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO
+ ! TRP (JES)
+HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO
+ ! JWK
+HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO
+ ! JWK
+HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+HA CA NY H 1.0000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL
+ ! adm jr. 4/10/91, acetamide update
+HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO
+ ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92
+HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO
+ ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89
+HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO
+ ! JWK
+HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO
+ ! JWK
+HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP
+ ! LK for autogenerate dihe, sp2-methyl, no dihedral potential
+HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP
+ ! LK for autogenerate dihe, sp2-methyl, no dihedral potential
+HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION
+ ! DTN 8/24/90
+HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO
+ ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89
+HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL
+ ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO
+ ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92
+HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP
+ ! LK for autogenerate dihe, sp2-methyl, no dihedral potential
+HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP
+ ! LK for autogenerate dihe, sp2-methyl, no dihedral potential
+HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION
+ ! DTN 8/24/90
+HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+HE1 CE1 CE1 HE1 1.0000 2 180.00 !
+ ! 2-butene, adm jr., 8/98 update
+CT3 CE1 CE1 HE1 1.0000 2 180.00 !
+ ! 2-butene, adm jr., 8/98 update
+HE1 CE1 CE2 HE2 5.2000 2 180.00 !
+ ! for propene, yin/adm jr., 12/95
+HE1 CE1 CT2 HA 0.0000 3 0.00
+ ! butene, adm jr., 2/00 update
+HE1 CE1 CT2 CT3 0.1200 3 0.00 !
+ ! for butene, yin/adm jr., 12/95
+HE1 CE1 CT3 HA 0.0000 3 0.00
+ ! butene, adm jr., 2/00 update
+HE2 CE2 CE1 CT2 5.2000 2 180.00 !
+ ! for butene, yin/adm jr., 12/95
+HE2 CE2 CE1 CPB 5.2000 2 180.00 !
+ ! for vinyl, from butene, yin/adm jr., 12/95
+HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+HC NH2 CT2 CT2 0.1100 3 0.00
+ !from X CT3 NH2 X, neutral lysine
+HC NH2 CT2 HA 0.1100 3 0.00
+ !from X CT3 NH2 X, neutral lysine
+HC NH2 CT2 HB 0.1100 3 0.00
+ !from X CT3 NH2 X, neutral glycine, adm jr.
+HC NH2 CT2 CD 0.1100 3 0.00
+ !from X CT3 NH2 X, neutral glycine, adm jr.
+HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO
+ ! JES 8/25/89 benzene
+HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO
+ ! JES 8/25/89 toluene and ethylbenzene
+HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO
+ ! toluene, adm jr., 3/7/92
+HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO
+ ! JES 8/25/89 benzene
+HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK indole 05/14/91
+HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO
+ ! JWK indole 05/14/91
+HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO
+ !adm jr., 12/30/91, for jwk
+HP CA NY H 0.4000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90, his
+HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90, YES, 0.0
+HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION
+ ! methanethiol pure solvent, adm jr., 6/22/92
+HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION
+ ! methanethiol pure solvent, adm jr., 6/22/92
+HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION
+ ! methanethiol pure solvent, adm jr., 6/22/92
+HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION
+ ! ethanethiol C-C-S-H surface, adm jr., 4/18/93
+HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION
+ ! ethanethiol C-C-S-H surface, adm jr., 4/18/93
+HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION
+ ! ethanethiol C-C-S-H surface, adm jr., 4/18/93
+HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION
+ ! methanethiol pure solvent, adm jr., 6/22/92
+HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION
+ ! methanethiol pure solvent, adm jr., 6/22/92
+N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO
+ ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92
+NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK)
+NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK)
+NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK)
+NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93
+NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP
+ ! from NH1 C CT1 CT2, for lactams, adm jr.
+NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP
+ ! LK for autogenerate dihe, sp2-methyl, no dihedral potential
+NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93
+NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP
+ ! LK for autogenerate dihe, sp2-methyl, no dihedral potential
+NH1 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93
+NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92
+NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! adm jr. 3/24/92, for PRES GLYP
+NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92
+NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA
+NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA
+NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA
+NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA
+NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO
+ ! HIS CB-CG TORSION,
+NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO
+ ! HIS CB-CG TORSION,
+NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO
+ ! HIS CB-CG TORSION,
+NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO
+ ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89
+NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO
+ ! his, ADM JR., 7/20/89
+NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO
+ ! JWK
+NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO
+ ! JWK indole 05/14/91
+NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO
+ ! JWK 09/05/89
+NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO
+ ! JWK 05/14/91 fit to indole
+O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP
+ ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c
+O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO
+ ! Backbone parameter set made complete RLD 8/8/90
+O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP
+ ! from O C CT1 CT2, for lactams, adm jr.
+O C CT2 HA 0.0000 3 180.00 ! ALLOW POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP
+ ! Alanine Dipeptide ab initio calc's (LK)
+O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO
+ ! Backbone parameter set made complete RLD 8/8/90
+O C CT3 HA 0.0000 3 180.00 ! ALLOW POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+O C N CP1 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C N CP1 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C N CP3 2.7500 2 180.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C N CP3 0.3000 4 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+O C NH1 H 2.5000 2 180.00 ! ALLOW PEP
+ ! Gives appropriate NMA cis/trans barrier. (LK)
+O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL
+ ! adm jr. 4/05/91, for asn,asp,gln,glu and cters
+O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO
+ ! adm jr. 4/10/91, acetamide update
+OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL
+ ! adm jr. 3/19/92, from lipid methyl acetate
+OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL
+ ! adm jr. 3/19/92, from lipid methyl acetate
+OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL
+ ! adm jr. 3/19/92, from lipid methyl acetate
+OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL
+ ! adm jr. 3/19/92, from lipid methyl acetate
+OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO
+ ! adm jr. 8/27/91, phenoxide
+OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO
+ ! adm jr. 8/27/91, phenoxide
+OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO
+ ! adm jr. 4/17/94, zwitterionic glycine
+OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO
+ ! adm jr. 4/17/94, zwitterionic glycine
+OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO
+ ! JES 8/25/89 phenol
+OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO
+ ! JES 8/25/89 phenol
+S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION
+ ! DTN 8/24/90
+SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION
+ ! DTN 8/24/90
+SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI
+ ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90
+SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI
+ ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90
+SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION
+ ! expt. dimethyldisulfide, 3/26/92 (FL)
+SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION
+ ! expt. dimethyldisulfide, 3/26/92 (FL)
+SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL
+ ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92
+!X C C X 4.0000 2 180.00 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO
+ ! 9.0->2.25 GUANIDINIUM (KK)
+X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC
+ ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier
+X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL
+ ! adm jr. 3/19/92, from lipid methyl acetate
+X CE1 CE1 X 0.1500 1 0.00
+ ! 2-butene, adm jr., 2/00 update
+X CE1 CE1 X 8.5000 2 180.00
+ ! 2-butene, adm jr., 2/00 update
+X CE2 CE2 X 4.9000 2 180.00 !
+ ! for ethene, yin/adm jr., 12/95
+X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP
+ ! changed to 0.0 RLD 5/19/92
+X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP
+ ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92
+X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91)
+X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91)
+X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91)
+X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO
+ ! JWK indole 05/14/91
+X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP
+ ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK)
+X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP
+ ! adm jr. 3/19/92, from lipid methyl acetate
+X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL
+ ! 0.715->0.10 METHYLAMMONIUM (KK)
+X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO
+ ! EMB 11/21/89 methanol vib fit
+X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL
+ ! adm jr. 3/19/92, from lipid methyl acetate
+X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO
+ ! toluene, adm jr., 3/7/92
+X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP
+ ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK)
+X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP
+ ! adm jr. 3/19/92, from lipid methyl acetate
+X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI
+ ! rotation barrier in Ethane (SF)
+X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL
+ ! methylguanidinium, adm jr., 3/26/92
+X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL
+ ! 0.715->0.10 METHYLAMMONIUM (KK)
+X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO
+ ! EMB 11/21/89 methanol vib fit
+X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL
+ ! adm jr. 3/19/92, from lipid methyl acetate
+X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO
+ ! toluene, adm jr., 3/7/92
+X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP
+ ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK)
+X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP
+ ! adm jr. 3/19/92, from lipid methyl acetate
+X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL
+ ! methylguanidinium, adm jr., 3/26/92
+X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL
+ ! methylamine geom/freq, adm jr., 6/2/92
+X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL
+ ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92
+X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO
+ ! EMB 11/21/89 methanol vib fit
+X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL
+ ! adm jr. 3/19/92, from lipid methyl acetate
+X FE CM X 0.0500 4 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): ligands (KK 05/13/91)
+X FE NPH X 0.0000 2 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): for "ic para" only (KK 05/13/91)
+X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): from param19.inp
+X FE OM X 0.0000 4 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): ligands (KK 05/13/91)
+X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM
+ ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91)
+
+IMPROPER
+!
+!V(improper) = Kpsi(psi - psi0)**2
+!
+!Kpsi: kcal/mole/rad**2
+!psi0: degrees
+!note that the second column of numbers (0) is ignored
+!
+!atom types Kpsi psi0
+!
+CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO
+ ! Heme vinyl substituent (KK, from propene (JCS))
+HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO
+ ! Heme (6-liganded): substituents (KK 05/13/91)
+!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO
+ ! Heme vinyl substituent (KK, from propene (JCS))
+HE2 HE2 CE2 CE2 3.0 0 0.00 !
+ ! for ethene, yin/adm jr., 12/95
+HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO
+ ! his, adm jr., 7/05/90
+HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO
+ ! his, adm jr., 7/05/90
+HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO
+ ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92
+NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO
+ ! 5.75->40.0 GUANIDINIUM (KK)
+NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO
+ ! NMA Vibrational Modes (LK)
+NH2 X X H 4.0000 0 0.0000 ! ALLOW POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO
+ ! his, adm jr., 7/05/90
+NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO
+ ! his, adm jr., 7/05/90
+NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO
+ ! his, adm jr., 6/27/90
+NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO
+ !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf.
+O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO
+ ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92
+O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO
+ ! adm jr., 5/13/91, formamide geometry and vibrations
+O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO
+ ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92
+O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO
+ ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92
+O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL
+ ! adm jr., 8/13/90 acetamide geometry and vibrations
+O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL
+ ! adm jr., 5/13/91, formamide geometry and vibrations
+O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO
+ ! NMA Vibrational Modes (LK)
+OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL
+ ! adm jr., 10/17/90, acetic acid vibrations
+OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION
+ ! 90.0->96.0 acetate, single impr (KK)
+CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION
+ ! 90.0->96.0 acetate, single impr (KK)
+CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION
+ ! 90.0->96.0 acetate, single impr (KK)
+CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION
+ ! 90.0->96.0 acetate, single impr (KK)
+
+CMAP
+! 2D grid correction data. The following surfaces are the correction
+! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces.
+! Use of CMAP requires generation with the topology file containing the
+! CMAP specifications along with version 31 or later of CHARMM. Note that
+! use of "skip CMAP" yields the charmm22 energy surfaces.
+!
+! references
+!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of
+!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted
+!for publication.
+
+!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the
+!Protein Backbone in Empirical Force Fields, Journal of the American Chemical
+!Society, In Press.
+
+
+! alanine map
+C NH1 CT1 C NH1 CT1 C NH1 24
+
+!-180
+0.126790 0.768700 0.971260 1.250970 2.121010
+2.695430 2.064440 1.764790 0.755870 -0.713470
+0.976130 -2.475520 -5.455650 -5.096450 -5.305850
+-3.975630 -3.088580 -2.784200 -2.677120 -2.646060
+-2.335350 -2.010440 -1.608040 -0.482250
+
+!-165
+-0.802290 1.377090 1.577020 1.872290 2.398990
+2.461630 2.333840 1.904070 1.061460 0.518400
+-0.116320 -3.575440 -5.284480 -5.160310 -4.196010
+-3.276210 -2.715340 -1.806200 -1.101780 -1.210320
+-1.008810 -0.637100 -1.603360 -1.776870
+
+!-150
+-0.634810 1.156210 1.624350 2.047200 2.653910
+2.691410 2.296420 1.960450 1.324930 2.038290
+-1.151510 -3.148610 -4.058280 -4.531850 -3.796370
+-2.572090 -1.727250 -0.961410 -0.282910 -0.479120
+-1.039340 -1.618060 -1.725460 -1.376360
+
+!-135
+0.214000 1.521370 1.977440 2.377950 2.929470
+2.893410 2.435810 2.162970 1.761500 1.190090
+-1.218610 -2.108900 -2.976100 -3.405340 -2.768440
+-1.836030 -0.957950 0.021790 -0.032760 -0.665880
+-1.321170 -1.212320 -0.893170 -0.897040
+
+!-120
+0.873950 1.959160 2.508990 2.841100 3.698960
+3.309330 2.614300 2.481720 2.694660 1.082440
+-0.398320 -1.761800 -2.945110 -3.294690 -2.308300
+-0.855480 -0.087320 0.439040 0.691880 -0.586330
+-1.027210 -0.976640 -0.467580 0.104020
+
+!-105
+1.767380 2.286650 2.818030 3.065500 3.370620
+3.397440 2.730310 2.878790 2.542010 1.545240
+-0.092150 -1.694440 -2.812310 -2.802430 -1.856360
+-0.306240 -0.122440 0.444680 0.810150 -0.058630
+-0.270290 -0.178830 0.202360 0.493810
+
+!-90
+1.456010 2.743180 2.589450 3.046230 3.451510
+3.319160 3.052900 3.873720 2.420650 0.949100
+0.008370 -1.382980 -2.138930 -2.087380 -1.268300
+-0.494370 0.267580 0.908250 0.537520 0.306260
+0.069540 0.097460 0.263060 0.603220
+
+!-75
+1.396790 3.349090 2.180920 2.942960 3.814070
+3.675800 3.555310 3.887290 2.101260 -0.190940
+-0.732240 -1.382040 -0.673880 -0.817390 -0.826980
+-0.111800 0.053710 0.296400 0.692240 0.428960
+-0.036100 -0.033820 -0.194300 0.400210
+
+!-60
+0.246650 1.229980 1.716960 3.168570 4.208190
+4.366860 4.251080 3.348110 0.997540 -1.287540
+-1.179900 -0.684300 -0.853660 -1.158760 -0.347550
+0.114810 0.242800 0.322420 0.370140 -0.374950
+-0.676940 -1.323430 -1.366650 -0.218770
+
+!-45
+-1.196730 0.078060 2.347410 4.211350 5.376000
+5.364940 4.355200 2.436510 0.408470 -0.590840
+-0.435960 -0.501210 -0.822230 -0.607210 0.057910
+0.246580 -0.070570 0.379430 0.247770 -0.571680
+-1.282910 -1.715770 -1.839820 -1.987110
+
+!-30
+-1.174720 1.067030 4.180460 6.741610 6.070770
+4.781470 2.758340 1.295810 0.571150 -0.196480
+0.251860 -0.732140 1.289360 1.497590 1.890550
+2.198490 0.169290 0.534000 0.331780 -1.276320
+-2.550070 -3.312150 -3.136670 -2.642260
+
+!-15
+0.293590 5.588070 3.732620 3.217620 3.272450
+2.492320 1.563700 1.356760 0.831410 0.630170
+1.591970 0.821920 0.486070 0.715760 0.996020
+1.591580 -0.367400 0.181770 -0.613920 -2.267900
+-3.516460 -3.597700 -3.043340 -1.765020
+
+!0
+2.832310 0.787990 0.323280 0.479230 0.628600
+0.976330 1.238750 1.671950 1.645480 2.520340
+1.606970 0.776350 0.119780 0.070390 0.121170
+-1.569230 -1.213010 -1.846360 -2.744510 -3.792530
+-3.934880 -3.615930 -2.675750 -0.924170
+
+!15
+-0.778340 -1.912680 -2.052140 -1.846280 -1.047430
+0.183400 1.682950 2.223500 1.358370 2.448660
+1.436920 0.678570 -0.237060 -0.535320 -0.790380
+-2.182580 -3.251140 -4.195110 -4.269270 -3.908210
+-3.455620 -2.773970 1.755370 0.313410
+
+!30
+-2.963810 -3.483730 -3.517080 -2.724860 -1.405510
+0.336200 1.428450 1.394630 0.970370 2.462720
+1.522430 0.553620 -0.407380 -1.482950 -3.613920
+-4.159810 -4.945580 -4.784040 -3.764540 -2.959140
+-1.963850 -1.071260 -1.599580 -2.445320
+
+!45
+-4.029070 -3.932660 -3.558480 -2.513980 -1.037320
+0.362000 0.814380 0.754110 0.502370 1.903420
+0.770220 -0.416420 -3.286310 -3.875270 -4.907800
+-5.704430 -5.645660 -4.396040 -2.865450 -2.368170
+-2.860490 -3.416560 -3.666490 -3.859070
+
+!60
+-3.338270 -2.960220 -2.311700 -1.272890 -0.246470
+0.722610 0.668070 0.438130 2.395330 1.632470
+-2.041450 -3.218100 -3.915080 -4.852510 -5.696500
+-6.314370 -5.683690 -4.170620 -3.141000 -3.508820
+-3.756430 -3.640810 -3.640430 -3.550690
+
+!75
+-2.244860 -1.632100 -1.000640 -0.170440 0.526440
+0.823710 0.517140 -0.013120 -0.370910 -1.213720
+-2.305650 -3.420580 -4.484960 -5.693140 -6.199150
+-6.253870 -5.211310 -4.174380 -3.685150 -4.151360
+-4.161970 -3.725150 -3.715310 -2.606760
+
+!90
+-1.720840 -1.177830 -0.428430 0.277730 0.807900
+0.803260 0.482510 -0.336900 -0.786270 -1.774070
+-2.793220 -3.828560 -5.211800 -6.636850 -6.989940
+-6.108800 -5.452410 -3.911450 -4.321000 -4.587240
+-4.102610 -3.772820 -3.157300 -2.648390
+
+!105
+-1.850640 -1.092420 -0.445020 0.128490 1.005520
+0.884820 0.485850 -0.218470 -0.857670 -1.682330
+-3.014400 -4.481110 -6.053510 -6.865400 -6.871130
+-5.728240 -3.912230 -4.802110 -5.034640 -4.715990
+-4.601080 -4.086220 -3.274630 -2.410940
+
+!120
+-1.969230 -1.116650 -0.540250 -0.150330 0.763520
+1.038890 0.758480 0.313530 -0.333050 -1.872770
+-3.366270 -5.008260 -6.124810 -7.034830 -6.724320
+-3.700200 -4.510620 -5.185650 -5.361620 -4.847490
+-4.444320 -4.004260 -3.415720 -2.751230
+
+!135
+-2.111250 -1.168960 -0.322790 -0.006920 0.316660
+1.086270 0.939170 0.625340 -0.166360 -1.830310
+-3.469470 -4.946030 -6.112560 -1.915580 -4.047310
+-4.996740 -4.996730 -4.842690 -4.886620 -4.300540
+-4.494620 -4.442210 -4.163570 -3.183510
+
+!150
+-1.757590 -0.403620 0.023920 0.362390 0.634520
+1.264920 1.361360 0.948420 -0.073680 -1.483560
+-3.152820 1.835120 -1.762860 -5.093660 -5.744830
+-5.390070 -4.783930 -4.190630 -4.115420 -4.042280
+-4.125570 -4.028550 -4.026100 -2.937910
+
+!165
+-0.810590 -0.071500 0.378890 0.543310 1.277880
+1.641310 1.698840 1.519950 0.631950 -1.088670
+-2.736530 -0.735240 -4.563830 -6.408350 -5.889450
+-5.141750 -4.194970 -3.666490 -3.843450 -3.818830
+-3.826180 -3.596820 -2.994790 -2.231020
+
+! alanine before proline map
+C NH1 CT1 C NH1 CT1 C N 24
+
+!-180
+0.126790 0.768700 0.971260 1.250970 2.121010
+2.695430 2.064440 1.764790 0.755870 -0.713470
+0.976130 -2.475520 -5.455650 -5.096450 -5.305850
+-3.975630 -3.088580 -2.784200 -2.677120 -2.646060
+-2.335350 -2.010440 -1.608040 -0.482250
+
+!-165
+-0.802290 1.377090 1.577020 1.872290 2.398990
+2.461630 2.333840 1.904070 1.061460 0.518400
+-0.116320 -3.575440 -5.284480 -5.160310 -4.196010
+-3.276210 -2.715340 -1.806200 -1.101780 -1.210320
+-1.008810 -0.637100 -1.603360 -1.776870
+
+!-150
+-0.634810 1.156210 1.624350 2.047200 2.653910
+2.691410 2.296420 1.960450 1.324930 2.038290
+-1.151510 -3.148610 -4.058280 -4.531850 -3.796370
+-2.572090 -1.727250 -0.961410 -0.282910 -0.479120
+-1.039340 -1.618060 -1.725460 -1.376360
+
+!-135
+0.214000 1.521370 1.977440 2.377950 2.929470
+2.893410 2.435810 2.162970 1.761500 1.190090
+-1.218610 -2.108900 -2.976100 -3.405340 -2.768440
+-1.836030 -0.957950 0.021790 -0.032760 -0.665880
+-1.321170 -1.212320 -0.893170 -0.897040
+
+!-120
+0.873950 1.959160 2.508990 2.841100 3.698960
+3.309330 2.614300 2.481720 2.694660 1.082440
+-0.398320 -1.761800 -2.945110 -3.294690 -2.308300
+-0.855480 -0.087320 0.439040 0.691880 -0.586330
+-1.027210 -0.976640 -0.467580 0.104020
+
+!-105
+1.767380 2.286650 2.818030 3.065500 3.370620
+3.397440 2.730310 2.878790 2.542010 1.545240
+-0.092150 -1.694440 -2.812310 -2.802430 -1.856360
+-0.306240 -0.122440 0.444680 0.810150 -0.058630
+-0.270290 -0.178830 0.202360 0.493810
+
+!-90
+1.456010 2.743180 2.589450 3.046230 3.451510
+3.319160 3.052900 3.873720 2.420650 0.949100
+0.008370 -1.382980 -2.138930 -2.087380 -1.268300
+-0.494370 0.267580 0.908250 0.537520 0.306260
+0.069540 0.097460 0.263060 0.603220
+
+!-75
+1.396790 3.349090 2.180920 2.942960 3.814070
+3.675800 3.555310 3.887290 2.101260 -0.190940
+-0.732240 -1.382040 -0.673880 -0.817390 -0.826980
+-0.111800 0.053710 0.296400 0.692240 0.428960
+-0.036100 -0.033820 -0.194300 0.400210
+
+!-60
+0.246650 1.229980 1.716960 3.168570 4.208190
+4.366860 4.251080 3.348110 0.997540 -1.287540
+-1.179900 -0.684300 -0.853660 -1.158760 -0.347550
+0.114810 0.242800 0.322420 0.370140 -0.374950
+-0.676940 -1.323430 -1.366650 -0.218770
+
+!-45
+-1.196730 0.078060 2.347410 4.211350 5.376000
+5.364940 4.355200 2.436510 0.408470 -0.590840
+-0.435960 -0.501210 -0.822230 -0.607210 0.057910
+0.246580 -0.070570 0.379430 0.247770 -0.571680
+-1.282910 -1.715770 -1.839820 -1.987110
+
+!-30
+-1.174720 1.067030 4.180460 6.741610 6.070770
+4.781470 2.758340 1.295810 0.571150 -0.196480
+0.251860 -0.732140 1.289360 1.497590 1.890550
+2.198490 0.169290 0.534000 0.331780 -1.276320
+-2.550070 -3.312150 -3.136670 -2.642260
+
+!-15
+0.293590 5.588070 3.732620 3.217620 3.272450
+2.492320 1.563700 1.356760 0.831410 0.630170
+1.591970 0.821920 0.486070 0.715760 0.996020
+1.591580 -0.367400 0.181770 -0.613920 -2.267900
+-3.516460 -3.597700 -3.043340 -1.765020
+
+!0
+2.832310 0.787990 0.323280 0.479230 0.628600
+0.976330 1.238750 1.671950 1.645480 2.520340
+1.606970 0.776350 0.119780 0.070390 0.121170
+-1.569230 -1.213010 -1.846360 -2.744510 -3.792530
+-3.934880 -3.615930 -2.675750 -0.924170
+
+!15
+-0.778340 -1.912680 -2.052140 -1.846280 -1.047430
+0.183400 1.682950 2.223500 1.358370 2.448660
+1.436920 0.678570 -0.237060 -0.535320 -0.790380
+-2.182580 -3.251140 -4.195110 -4.269270 -3.908210
+-3.455620 -2.773970 1.755370 0.313410
+
+!30
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+
+! glycine before proline map: use glycine map
+C NH1 CT2 C NH1 CT2 C N 24
+
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+
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+
+NONBONDED nbxmod 5 atom cdiel shift vatom vdistance vswitch -
+cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5
+ !adm jr., 5/08/91, suggested cutoff scheme
+!
+!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6]
+!
+!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j)
+!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j
+!
+!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4
+!
+!carbons
+C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO
+ ! NMA pure solvent, adm jr., 3/3/93
+CA 0.000000 -0.070000 1.992400 ! ALLOW ARO
+ ! benzene (JES)
+CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO
+ ! adm jr. 3/3/92, acetic acid heat of solvation
+CD 0.000000 -0.070000 2.000000 ! ALLOW POL
+ ! adm jr. 3/19/92, acetate a.i. and dH of solvation
+CE1 0.000000 -0.068000 2.090000 !
+ ! for propene, yin/adm jr., 12/95
+CE2 0.000000 -0.064000 2.080000 !
+ ! for ethene, yin/adm jr., 12/95
+CM 0.000000 -0.110000 2.100000 ! ALLOW HEM
+ ! Heme (6-liganded): CO ligand carbon (KK 05/13/91)
+CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI
+ ! alkane update, adm jr., 3/2/92
+CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO
+ ! adm jr., 10/23/91, imidazole solvation and sublimation
+CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO
+ ! adm jr., 10/23/91, imidazole solvation and sublimation
+CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO
+ ! benzene (JES)
+CS 0.000000 -0.110000 2.200000 ! ALLOW SUL
+ ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92
+CST 0.000000 -0.058000 1.563000 !
+ ! carbon dioxide, JES
+CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI
+ ! isobutane pure solvent properties, adm jr, 2/3/92
+CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI
+ ! propane pure solvent properties, adm jr, 2/3/92
+CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI
+ ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92
+CY 0.000000 -0.070000 1.992400 ! ALLOW ARO
+ ! TRP, JWK 08/29/89
+!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str)
+CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work
+CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work
+CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr.
+CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr.
+! hydrogens
+H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC
+ ! same as TIP3P hydrogen, adm jr., 7/20/89
+HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC
+ ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92
+HE1 0.000000 -0.031000 1.250000 !
+ ! for propene, yin/adm jr., 12/95
+HE2 0.000000 -0.026000 1.260000 !
+ ! for ethene, yin/adm jr., 12/95
+HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC
+ ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92
+HC 0.000000 -0.046000 0.224500 ! ALLOW POL
+ ! new, small polar Hydrogen, see also adm jr. JG 8/27/89
+HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO
+ ! JES 8/25/89 values from Jorgensen fit to hydration energy
+HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO
+ ! adm jr., 6/27/90, his
+HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO
+ ! adm jr., 6/27/90, his
+HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO
+ ! adm jr., 3/24/92, maintain old aliphatic H VDW params
+HS 0.000000 -0.100000 0.450000 ! ALLOW SUL
+ ! methanethiol pure solvent, adm jr., 6/22/92
+HT 0.000000 -0.046000 0.224500 ! ALLOW WAT
+ !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete
+!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str)
+HA1 0.0 -0.022 1.3200 ! alkane, 3/92
+HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98
+HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98
+!nitrogens
+N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO
+ ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93
+NC2 0.000000 -0.200000 1.850000 ! ALLOW POL
+ ! JG 8/27/89; note: NH1 in ARG was changed to NC2.
+NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO
+ ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK)
+NH2 0.000000 -0.200000 1.850000 ! ALLOW POL
+ ! adm jr.
+NH3 0.000000 -0.200000 1.850000 ! ALLOW POL
+ ! adm jr.
+NP 0.000000 -0.200000 1.850000 ! ALLOW PRO
+ ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90
+NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM
+ ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91)
+NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO
+ ! His, adm jr., 9/4/89
+NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO
+ ! His, adm jr., 9/4/89
+NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO
+ ! His, adm jr., 9/4/89
+NY 0.000000 -0.200000 1.850000 ! ALLOW ARO
+ ! trp, JWK
+! oxygens
+O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL
+ ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK)
+OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO
+ ! adm jr., 10/17/90, acetic acid carbonyl O
+OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION
+ ! JG 8/27/89
+OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO
+ ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P)
+OM 0.000000 -0.120000 1.700000 ! ALLOW HEM
+ ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91)
+OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO
+ ! adm jr. 9/17/90, avoid O* wildcard
+OST 0.000000 -0.165000 1.692000 !
+ ! carbon dioxide, JES
+OT 0.000000 -0.152100 1.768200 ! ALLOW WAT
+ !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete
+! sulfurs
+S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION
+ ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent
+SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION
+ ! adm jr., 3/3/92, dimethyldisulphide pure solvent
+SS 0.000000 -0.470000 2.200000 ! ALLOW SUL
+ ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92
+! ions and miscellaneous types
+SOD 0.0 -0.0469 1.36375 ! sodium
+ ! D. Beglovd and B. Roux, dA=-100.8 kcal/mol
+POT 0.0 -0.0870 1.76375 ! potassium
+ ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol
+CLA 0.0 -0.150 2.27 ! chloride
+ ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol
+CAL 0.0 -0.120 1.367 ! Calcium
+ ! S. Marchand and B. Roux, dA = -384.8 kcal/mol
+!CAL 0.000000 -0.120000 1.710000 ! Calcium (BP) in proteins prior
+ ! to 2003; not recommended due to need for NBFIX terms
+MG 0.0 -0.0150 1.18500 ! Magnesium
+ ! B. Roux dA = -441.65
+CES 0.0 -0.1900 2.100
+ ! Cesium, so far untested.
+ZN 0.000000 -0.250000 1.090000 ! ALLOW ION
+ ! RHS March 18, 1990
+FE 0.010000 0.000000 0.650000 ! ALLOW HEM
+ ! Heme (6-liganded): Iron atom (KK 05/13/91)
+HE 0.000000 -0.021270 1.4800 !
+ ! helium, experimental pot. energy surface, adm jr., 12/95
+NE 0.000000 -0.086000 1.5300
+ ! neon, semiempirical pot. energy surface, adm jr., 12/95
+CLAL 0.000000 -0.030000 1.908200 ! chlorine from Jorgensen/BOSS
+ ! for choroacetaldehyde
+DUM 0.000000 -0.000000 0.000000 !
+ ! dummy atom
+!pyridine series LJ parametes (see toppar_pyridines.str)
+CAP 0.000000 -0.070000 1.992400 !
+FA 0.000000 -0.12000 1.700000
+ ! from 1,3-difluorobenzene pure solvent
+CN 0.000000 -0.200000 1.750000 ! cyanopyridine
+NC 0.000000 -0.600000 1.850000 ! cyanopyridine
+OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp
+COA 0.000000 -0.110000 2.000000 ! 3acp
+!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str)
+CF1 0.000000 -0.060000 1.900000
+CF2 0.000000 -0.042000 2.050000
+CF3 0.000000 -0.020000 2.300000
+HF1 0.000000 -0.028000 1.3200
+HF2 0.000000 -0.030000 1.3000
+F1 0.0 -0.135 1.63
+F2 0.0 -0.105 1.63
+F3 0.0 -0.097 1.60
+!protein model compounds (see toppar_all22_prot_model.str)
+C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04
+!retinol model compounds
+CC1A 0.0 -0.0680 2.0900 !
+CC1B 0.0 -0.0680 2.0900 !
+CC2 0.0 -0.0640 2.0800 !
+NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base
+NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base
+
+HBOND CUTHB 0.5 ! If you want to do hbond analysis (only), then use
+ ! READ PARAM APPEND CARD
+ ! to append hbond parameters from the file: par_hbond.inp
+
+END
Added: SwiftApps/subjobs/namd/namd.swift
===================================================================
--- SwiftApps/subjobs/namd/namd.swift (rev 0)
+++ SwiftApps/subjobs/namd/namd.swift 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,46 @@
+type file;
+
+// Namd
+app (file out, file err) namd_wrapper (file psf_file, file pdb_file,
+ file coord_restart_file, file velocity_restart_file,
+ file system_restart_file, file namd_conf, file charmm_params)
+{
+ bgsh "/soft/applications/namd2-cvs20130304/namd2-pami" @namd_conf stdout=@out stderr=@err;
+}
+
+// Plotting script
+/*app (file png) plot (file[] namdlogs)
+{
+ plot @png @namdlogs;
+}
+*/
+
+// Range of nodes to test on
+int min=1;
+int max=100;
+int delta=1;
+
+// Files
+file psf <"input_files/h0_solvion.psf">;
+file pdb <"input_files/h0_solvion.pdb">;
+file coord_restart <"input_files/h0_eq.0.restart.coor">;
+file velocity_restart <"input_files/h0_eq.0.restart.vel">;
+file system_restart <"input_files/h0_eq.0.restart.xsc">;
+file namd_config <"input_files/h0_eq.conf">;
+file charmm_parameters <"input_files/par_all22_prot.inp">;
+file logs[];
+
+// Run scaling tests
+foreach i in [min:max:delta] {
+ file namd_output <single_file_mapper; file=@strcat("logs/h0scale.", i, ".out")>;
+ file namd_error <single_file_mapper; file=@strcat("logs/h0scale.", i, ".err")>;
+ (namd_output, namd_error) = namd_wrapper(psf, pdb, coord_restart, velocity_restart,
+ system_restart, namd_config, charmm_parameters);
+ logs[i] = namd_output;
+}
+
+// Plot output
+/*
+file plot_output <"scale.dat">;
+plot_output = plot(logs);
+*/
Added: SwiftApps/subjobs/namd/runswift.sh
===================================================================
--- SwiftApps/subjobs/namd/runswift.sh (rev 0)
+++ SwiftApps/subjobs/namd/runswift.sh 2014-10-07 16:05:07 UTC (rev 8266)
@@ -0,0 +1,10 @@
+#! /bin/sh
+
+#Old method
+#qsub -A ATPESC2014 -n 512 -t 15 --mode script runswift_script.sh -config cf -tc.file apps -sites.file localcoast.xml "$@"
+
+#New method
+/home/ketan/swift-0.95/cog/modules/swift/dist/swift-svn/bin/swift -sites.file cobalt.xml -config cf -tc.file apps namd.swift
+
+#A testblock run
+#qsub -A ATPESC2013 -n 32 -t 5 -q low --mode c16 --mode script testblock.sh # --disable_preboot
Property changes on: SwiftApps/subjobs/namd/runswift.sh
___________________________________________________________________
Added: svn:executable
+ *
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