[Swift-commit] r4825 - in SwiftApps/modFTDock: . Scoring
ketan at ci.uchicago.edu
ketan at ci.uchicago.edu
Fri Jul 15 15:30:24 CDT 2011
Author: ketan
Date: 2011-07-15 15:30:00 -0500 (Fri, 15 Jul 2011)
New Revision: 4825
Added:
SwiftApps/modFTDock/Scoring/
SwiftApps/modFTDock/Scoring/2RNK.pdb
SwiftApps/modFTDock/Scoring/4TRA.pdb
SwiftApps/modFTDock/Scoring/build1
SwiftApps/modFTDock/Scoring/distances300r.exe
SwiftApps/modFTDock/Scoring/eval300.exe
SwiftApps/modFTDock/Scoring/modmerge
SwiftApps/modFTDock/Scoring/pdb.all
SwiftApps/modFTDock/Scoring/run_short.bat
SwiftApps/modFTDock/Scoring/run_test.bat
SwiftApps/modFTDock/Scoring/scoredat.bat
SwiftApps/modFTDock/Scoring/scoredat.exe
SwiftApps/modFTDock/Scoring/some_dat.tar
SwiftApps/modFTDock/Scoring/tRNA_score.exe
Log:
Added Scoring executables
Added: SwiftApps/modFTDock/Scoring/2RNK.pdb
===================================================================
--- SwiftApps/modFTDock/Scoring/2RNK.pdb (rev 0)
+++ SwiftApps/modFTDock/Scoring/2RNK.pdb 2011-07-15 20:30:00 UTC (rev 4825)
@@ -0,0 +1,2239 @@
+ATOM 1 N GLY A -4 -30.023 -9.182 8.307 1.00 0.00 N
+ATOM 2 CA GLY A -4 -30.606 -7.903 7.869 1.00 0.00 C
+ATOM 3 C GLY A -4 -29.546 -7.060 7.178 1.00 0.00 C
+ATOM 4 O GLY A -4 -28.374 -7.153 7.547 1.00 0.00 O
+ATOM 5 H1 GLY A -4 -29.159 -9.105 8.804 1.00 0.00 H
+ATOM 6 HA2 GLY A -4 -31.433 -8.099 7.188 1.00 0.00 H
+ATOM 7 HA3 GLY A -4 -30.970 -7.359 8.742 1.00 0.00 H
+ATOM 8 N SER A -3 -29.931 -6.225 6.207 1.00 0.00 N
+ATOM 9 CA SER A -3 -29.000 -5.383 5.469 1.00 0.00 C
+ATOM 10 C SER A -3 -29.622 -4.008 5.213 1.00 0.00 C
+ATOM 11 O SER A -3 -30.841 -3.903 5.082 1.00 0.00 O
+ATOM 12 CB SER A -3 -28.622 -6.095 4.161 1.00 0.00 C
+ATOM 13 OG SER A -3 -27.663 -5.353 3.432 1.00 0.00 O
+ATOM 14 H SER A -3 -30.899 -6.083 5.946 1.00 0.00 H
+ATOM 15 HA SER A -3 -28.103 -5.256 6.064 1.00 0.00 H
+ATOM 16 HB2 SER A -3 -28.199 -7.073 4.395 1.00 0.00 H
+ATOM 17 HB3 SER A -3 -29.514 -6.232 3.547 1.00 0.00 H
+ATOM 18 HG SER A -3 -28.185 -4.793 2.809 1.00 0.00 H
+ATOM 19 N HIS A -2 -28.776 -2.978 5.117 1.00 0.00 N
+ATOM 20 CA HIS A -2 -29.037 -1.654 4.547 1.00 0.00 C
+ATOM 21 C HIS A -2 -27.655 -1.013 4.388 1.00 0.00 C
+ATOM 22 O HIS A -2 -26.854 -1.105 5.320 1.00 0.00 O
+ATOM 23 CB HIS A -2 -29.947 -0.847 5.494 1.00 0.00 C
+ATOM 24 CG HIS A -2 -30.283 0.577 5.100 1.00 0.00 C
+ATOM 25 ND1 HIS A -2 -30.552 1.064 3.829 1.00 0.00 N
+ATOM 26 CD2 HIS A -2 -30.473 1.602 5.987 1.00 0.00 C
+ATOM 27 CE1 HIS A -2 -30.891 2.365 3.955 1.00 0.00 C
+ATOM 28 NE2 HIS A -2 -30.842 2.714 5.258 1.00 0.00 N
+ATOM 29 H HIS A -2 -27.795 -3.164 5.315 1.00 0.00 H
+ATOM 30 HA HIS A -2 -29.520 -1.775 3.577 1.00 0.00 H
+ATOM 31 HB2 HIS A -2 -30.892 -1.378 5.611 1.00 0.00 H
+ATOM 32 HB3 HIS A -2 -29.471 -0.825 6.473 1.00 0.00 H
+ATOM 33 HD1 HIS A -2 -30.466 0.562 2.939 1.00 0.00 H
+ATOM 34 HD2 HIS A -2 -30.372 1.560 7.065 1.00 0.00 H
+ATOM 35 HE1 HIS A -2 -31.131 3.041 3.140 1.00 0.00 H
+ATOM 36 HE2 HIS A -2 -30.999 3.639 5.652 1.00 0.00 H
+ATOM 37 N MET A -1 -27.351 -0.371 3.260 1.00 0.00 N
+ATOM 38 CA MET A -1 -26.048 0.222 2.974 1.00 0.00 C
+ATOM 39 C MET A -1 -26.292 1.567 2.306 1.00 0.00 C
+ATOM 40 O MET A -1 -26.523 1.640 1.100 1.00 0.00 O
+ATOM 41 CB MET A -1 -25.187 -0.707 2.100 1.00 0.00 C
+ATOM 42 CG MET A -1 -23.772 -0.156 1.872 1.00 0.00 C
+ATOM 43 SD MET A -1 -22.776 -1.092 0.676 1.00 0.00 S
+ATOM 44 CE MET A -1 -23.493 -0.506 -0.887 1.00 0.00 C
+ATOM 45 H MET A -1 -28.045 -0.247 2.534 1.00 0.00 H
+ATOM 46 HA MET A -1 -25.512 0.386 3.910 1.00 0.00 H
+ATOM 47 HB2 MET A -1 -25.096 -1.667 2.597 1.00 0.00 H
+ATOM 48 HB3 MET A -1 -25.670 -0.857 1.137 1.00 0.00 H
+ATOM 49 HG2 MET A -1 -23.830 0.875 1.524 1.00 0.00 H
+ATOM 50 HG3 MET A -1 -23.247 -0.160 2.828 1.00 0.00 H
+ATOM 51 HE1 MET A -1 -23.431 0.581 -0.938 1.00 0.00 H
+ATOM 52 HE2 MET A -1 -22.940 -0.929 -1.727 1.00 0.00 H
+ATOM 53 HE3 MET A -1 -24.535 -0.814 -0.958 1.00 0.00 H
+ATOM 54 N VAL A 513 -26.256 2.618 3.113 1.00 0.00 N
+ATOM 55 CA VAL A 513 -26.229 4.015 2.696 1.00 0.00 C
+ATOM 56 C VAL A 513 -25.168 4.709 3.553 1.00 0.00 C
+ATOM 57 O VAL A 513 -25.034 4.398 4.741 1.00 0.00 O
+ATOM 58 CB VAL A 513 -27.625 4.660 2.828 1.00 0.00 C
+ATOM 59 CG1 VAL A 513 -28.597 4.084 1.786 1.00 0.00 C
+ATOM 60 CG2 VAL A 513 -28.234 4.497 4.231 1.00 0.00 C
+ATOM 61 H VAL A 513 -26.103 2.459 4.098 1.00 0.00 H
+ATOM 62 HA VAL A 513 -25.916 4.072 1.651 1.00 0.00 H
+ATOM 63 HB VAL A 513 -27.520 5.725 2.625 1.00 0.00 H
+ATOM 64 HG11 VAL A 513 -29.534 4.641 1.816 1.00 0.00 H
+ATOM 65 HG12 VAL A 513 -28.171 4.197 0.788 1.00 0.00 H
+ATOM 66 HG13 VAL A 513 -28.786 3.030 1.973 1.00 0.00 H
+ATOM 67 HG21 VAL A 513 -29.244 4.903 4.242 1.00 0.00 H
+ATOM 68 HG22 VAL A 513 -28.262 3.452 4.535 1.00 0.00 H
+ATOM 69 HG23 VAL A 513 -27.650 5.065 4.951 1.00 0.00 H
+ATOM 70 N LEU A 514 -24.364 5.589 2.967 1.00 0.00 N
+ATOM 71 CA LEU A 514 -23.243 6.265 3.604 1.00 0.00 C
+ATOM 72 C LEU A 514 -23.031 7.597 2.877 1.00 0.00 C
+ATOM 73 O LEU A 514 -23.611 7.771 1.797 1.00 0.00 O
+ATOM 74 CB LEU A 514 -21.993 5.366 3.566 1.00 0.00 C
+ATOM 75 CG LEU A 514 -21.349 5.129 2.184 1.00 0.00 C
+ATOM 76 CD1 LEU A 514 -19.893 4.711 2.392 1.00 0.00 C
+ATOM 77 CD2 LEU A 514 -22.088 4.039 1.400 1.00 0.00 C
+ATOM 78 H LEU A 514 -24.484 5.889 2.006 1.00 0.00 H
+ATOM 79 HA LEU A 514 -23.487 6.460 4.643 1.00 0.00 H
+ATOM 80 HB2 LEU A 514 -21.253 5.827 4.206 1.00 0.00 H
+ATOM 81 HB3 LEU A 514 -22.225 4.408 4.030 1.00 0.00 H
+ATOM 82 HG LEU A 514 -21.344 6.046 1.597 1.00 0.00 H
+ATOM 83 HD11 LEU A 514 -19.821 3.852 3.055 1.00 0.00 H
+ATOM 84 HD12 LEU A 514 -19.428 4.487 1.435 1.00 0.00 H
+ATOM 85 HD13 LEU A 514 -19.352 5.543 2.843 1.00 0.00 H
+ATOM 86 HD21 LEU A 514 -23.051 4.421 1.067 1.00 0.00 H
+ATOM 87 HD22 LEU A 514 -21.520 3.770 0.509 1.00 0.00 H
+ATOM 88 HD23 LEU A 514 -22.251 3.157 2.016 1.00 0.00 H
+ATOM 89 N PRO A 515 -22.231 8.539 3.399 1.00 0.00 N
+ATOM 90 CA PRO A 515 -21.883 9.727 2.648 1.00 0.00 C
+ATOM 91 C PRO A 515 -20.799 9.346 1.636 1.00 0.00 C
+ATOM 92 O PRO A 515 -19.608 9.454 1.927 1.00 0.00 O
+ATOM 93 CB PRO A 515 -21.438 10.748 3.698 1.00 0.00 C
+ATOM 94 CG PRO A 515 -20.864 9.899 4.831 1.00 0.00 C
+ATOM 95 CD PRO A 515 -21.575 8.549 4.705 1.00 0.00 C
+ATOM 96 HA PRO A 515 -22.750 10.123 2.117 1.00 0.00 H
+ATOM 97 HB2 PRO A 515 -20.700 11.451 3.313 1.00 0.00 H
+ATOM 98 HB3 PRO A 515 -22.314 11.286 4.054 1.00 0.00 H
+ATOM 99 HG2 PRO A 515 -19.796 9.770 4.673 1.00 0.00 H
+ATOM 100 HG3 PRO A 515 -21.043 10.353 5.805 1.00 0.00 H
+ATOM 101 HD2 PRO A 515 -20.829 7.761 4.775 1.00 0.00 H
+ATOM 102 HD3 PRO A 515 -22.309 8.434 5.502 1.00 0.00 H
+ATOM 103 N SER A 516 -21.186 8.857 0.455 1.00 0.00 N
+ATOM 104 CA SER A 516 -20.267 8.877 -0.680 1.00 0.00 C
+ATOM 105 C SER A 516 -19.917 10.340 -0.986 1.00 0.00 C
+ATOM 106 O SER A 516 -20.686 11.259 -0.677 1.00 0.00 O
+ATOM 107 CB SER A 516 -20.870 8.154 -1.893 1.00 0.00 C
+ATOM 108 OG SER A 516 -21.095 6.788 -1.574 1.00 0.00 O
+ATOM 109 H SER A 516 -22.163 8.639 0.305 1.00 0.00 H
+ATOM 110 HA SER A 516 -19.353 8.356 -0.394 1.00 0.00 H
+ATOM 111 HB2 SER A 516 -21.806 8.631 -2.185 1.00 0.00 H
+ATOM 112 HB3 SER A 516 -20.171 8.209 -2.729 1.00 0.00 H
+ATOM 113 HG SER A 516 -21.207 6.274 -2.409 1.00 0.00 H
+ATOM 114 N GLU A 517 -18.762 10.584 -1.600 1.00 0.00 N
+ATOM 115 CA GLU A 517 -18.201 11.922 -1.782 1.00 0.00 C
+ATOM 116 C GLU A 517 -17.206 11.870 -2.949 1.00 0.00 C
+ATOM 117 O GLU A 517 -16.662 10.795 -3.237 1.00 0.00 O
+ATOM 118 CB GLU A 517 -17.543 12.312 -0.448 1.00 0.00 C
+ATOM 119 CG GLU A 517 -17.292 13.809 -0.278 1.00 0.00 C
+ATOM 120 CD GLU A 517 -16.861 14.094 1.162 1.00 0.00 C
+ATOM 121 OE1 GLU A 517 -17.676 13.889 2.089 1.00 0.00 O
+ATOM 122 OE2 GLU A 517 -15.665 14.400 1.391 1.00 0.00 O
+ATOM 123 H GLU A 517 -18.129 9.810 -1.805 1.00 0.00 H
+ATOM 124 HA GLU A 517 -18.999 12.632 -2.010 1.00 0.00 H
+ATOM 125 HB2 GLU A 517 -18.206 12.002 0.361 1.00 0.00 H
+ATOM 126 HB3 GLU A 517 -16.611 11.772 -0.319 1.00 0.00 H
+ATOM 127 HG2 GLU A 517 -16.520 14.136 -0.975 1.00 0.00 H
+ATOM 128 HG3 GLU A 517 -18.215 14.340 -0.497 1.00 0.00 H
+ATOM 129 N ALA A 518 -16.971 12.995 -3.625 1.00 0.00 N
+ATOM 130 CA ALA A 518 -16.089 13.082 -4.781 1.00 0.00 C
+ATOM 131 C ALA A 518 -14.776 13.769 -4.378 1.00 0.00 C
+ATOM 132 O ALA A 518 -14.793 14.973 -4.107 1.00 0.00 O
+ATOM 133 CB ALA A 518 -16.785 13.845 -5.913 1.00 0.00 C
+ATOM 134 H ALA A 518 -17.427 13.862 -3.350 1.00 0.00 H
+ATOM 135 HA ALA A 518 -15.888 12.081 -5.157 1.00 0.00 H
+ATOM 136 HB1 ALA A 518 -16.100 13.924 -6.757 1.00 0.00 H
+ATOM 137 HB2 ALA A 518 -17.689 13.318 -6.220 1.00 0.00 H
+ATOM 138 HB3 ALA A 518 -17.045 14.851 -5.582 1.00 0.00 H
+ATOM 139 N PRO A 519 -13.641 13.052 -4.318 1.00 0.00 N
+ATOM 140 CA PRO A 519 -12.339 13.693 -4.268 1.00 0.00 C
+ATOM 141 C PRO A 519 -12.016 14.243 -5.658 1.00 0.00 C
+ATOM 142 O PRO A 519 -12.392 13.639 -6.669 1.00 0.00 O
+ATOM 143 CB PRO A 519 -11.375 12.577 -3.880 1.00 0.00 C
+ATOM 144 CG PRO A 519 -11.987 11.349 -4.557 1.00 0.00 C
+ATOM 145 CD PRO A 519 -13.489 11.615 -4.490 1.00 0.00 C
+ATOM 146 HA PRO A 519 -12.319 14.490 -3.525 1.00 0.00 H
+ATOM 147 HB2 PRO A 519 -10.365 12.776 -4.239 1.00 0.00 H
+ATOM 148 HB3 PRO A 519 -11.383 12.442 -2.797 1.00 0.00 H
+ATOM 149 HG2 PRO A 519 -11.666 11.302 -5.598 1.00 0.00 H
+ATOM 150 HG3 PRO A 519 -11.729 10.424 -4.046 1.00 0.00 H
+ATOM 151 HD2 PRO A 519 -13.955 11.279 -5.417 1.00 0.00 H
+ATOM 152 HD3 PRO A 519 -13.921 11.104 -3.632 1.00 0.00 H
+ATOM 153 N ASN A 520 -11.265 15.341 -5.726 1.00 0.00 N
+ATOM 154 CA ASN A 520 -10.897 15.971 -6.993 1.00 0.00 C
+ATOM 155 C ASN A 520 -9.490 16.570 -6.947 1.00 0.00 C
+ATOM 156 O ASN A 520 -9.154 17.388 -7.801 1.00 0.00 O
+ATOM 157 CB ASN A 520 -11.982 16.985 -7.423 1.00 0.00 C
+ATOM 158 CG ASN A 520 -13.130 16.302 -8.161 1.00 0.00 C
+ATOM 159 OD1 ASN A 520 -14.231 16.156 -7.640 1.00 0.00 O
+ATOM 160 ND2 ASN A 520 -12.915 15.876 -9.396 1.00 0.00 N
+ATOM 161 H ASN A 520 -10.961 15.770 -4.858 1.00 0.00 H
+ATOM 162 HA ASN A 520 -10.851 15.196 -7.758 1.00 0.00 H
+ATOM 163 HB2 ASN A 520 -12.364 17.512 -6.547 1.00 0.00 H
+ATOM 164 HB3 ASN A 520 -11.561 17.731 -8.095 1.00 0.00 H
+ATOM 165 HD21 ASN A 520 -12.044 16.089 -9.878 1.00 0.00 H
+ATOM 166 HD22 ASN A 520 -13.634 15.339 -9.857 1.00 0.00 H
+ATOM 167 N ALA A 521 -8.652 16.194 -5.974 1.00 0.00 N
+ATOM 168 CA ALA A 521 -7.279 16.672 -5.842 1.00 0.00 C
+ATOM 169 C ALA A 521 -6.499 16.469 -7.146 1.00 0.00 C
+ATOM 170 O ALA A 521 -6.282 15.329 -7.571 1.00 0.00 O
+ATOM 171 CB ALA A 521 -6.568 15.955 -4.687 1.00 0.00 C
+ATOM 172 H ALA A 521 -8.999 15.585 -5.248 1.00 0.00 H
+ATOM 173 HA ALA A 521 -7.329 17.735 -5.611 1.00 0.00 H
+ATOM 174 HB1 ALA A 521 -7.085 16.141 -3.748 1.00 0.00 H
+ATOM 175 HB2 ALA A 521 -6.531 14.882 -4.881 1.00 0.00 H
+ATOM 176 HB3 ALA A 521 -5.550 16.336 -4.600 1.00 0.00 H
+ATOM 177 N LYS A 522 -6.052 17.557 -7.783 1.00 0.00 N
+ATOM 178 CA LYS A 522 -5.140 17.478 -8.929 1.00 0.00 C
+ATOM 179 C LYS A 522 -3.759 16.984 -8.501 1.00 0.00 C
+ATOM 180 O LYS A 522 -3.045 16.375 -9.298 1.00 0.00 O
+ATOM 181 CB LYS A 522 -5.042 18.830 -9.655 1.00 0.00 C
+ATOM 182 CG LYS A 522 -4.279 19.910 -8.874 1.00 0.00 C
+ATOM 183 CD LYS A 522 -4.508 21.286 -9.502 1.00 0.00 C
+ATOM 184 CE LYS A 522 -3.613 22.358 -8.868 1.00 0.00 C
+ATOM 185 NZ LYS A 522 -3.964 22.673 -7.466 1.00 0.00 N
+ATOM 186 H LYS A 522 -6.241 18.463 -7.369 1.00 0.00 H
+ATOM 187 HA LYS A 522 -5.552 16.766 -9.637 1.00 0.00 H
+ATOM 188 HB2 LYS A 522 -4.531 18.676 -10.607 1.00 0.00 H
+ATOM 189 HB3 LYS A 522 -6.046 19.184 -9.876 1.00 0.00 H
+ATOM 190 HG2 LYS A 522 -4.615 19.931 -7.840 1.00 0.00 H
+ATOM 191 HG3 LYS A 522 -3.213 19.684 -8.899 1.00 0.00 H
+ATOM 192 HD2 LYS A 522 -4.275 21.222 -10.565 1.00 0.00 H
+ATOM 193 HD3 LYS A 522 -5.557 21.565 -9.400 1.00 0.00 H
+ATOM 194 HE2 LYS A 522 -2.574 22.024 -8.906 1.00 0.00 H
+ATOM 195 HE3 LYS A 522 -3.689 23.276 -9.455 1.00 0.00 H
+ATOM 196 HZ1 LYS A 522 -3.298 23.336 -7.087 1.00 0.00 H
+ATOM 197 HZ2 LYS A 522 -4.886 23.098 -7.401 1.00 0.00 H
+ATOM 198 HZ3 LYS A 522 -3.909 21.862 -6.854 1.00 0.00 H
+ATOM 199 N GLU A 523 -3.390 17.272 -7.255 1.00 0.00 N
+ATOM 200 CA GLU A 523 -2.058 17.071 -6.716 1.00 0.00 C
+ATOM 201 C GLU A 523 -1.797 15.605 -6.377 1.00 0.00 C
+ATOM 202 O GLU A 523 -2.671 14.734 -6.467 1.00 0.00 O
+ATOM 203 CB GLU A 523 -1.910 17.975 -5.481 1.00 0.00 C
+ATOM 204 CG GLU A 523 -1.623 19.420 -5.911 1.00 0.00 C
+ATOM 205 CD GLU A 523 -2.329 20.410 -5.001 1.00 0.00 C
+ATOM 206 OE1 GLU A 523 -1.805 20.715 -3.910 1.00 0.00 O
+ATOM 207 OE2 GLU A 523 -3.414 20.900 -5.404 1.00 0.00 O
+ATOM 208 H GLU A 523 -4.054 17.739 -6.651 1.00 0.00 H
+ATOM 209 HA GLU A 523 -1.326 17.371 -7.469 1.00 0.00 H
+ATOM 210 HB2 GLU A 523 -2.831 17.927 -4.896 1.00 0.00 H
+ATOM 211 HB3 GLU A 523 -1.092 17.642 -4.840 1.00 0.00 H
+ATOM 212 HG2 GLU A 523 -0.546 19.600 -5.884 1.00 0.00 H
+ATOM 213 HG3 GLU A 523 -1.963 19.590 -6.932 1.00 0.00 H
+ATOM 214 N GLU A 524 -0.553 15.339 -5.992 1.00 0.00 N
+ATOM 215 CA GLU A 524 -0.062 14.052 -5.552 1.00 0.00 C
+ATOM 216 C GLU A 524 1.216 14.214 -4.738 1.00 0.00 C
+ATOM 217 O GLU A 524 1.983 15.165 -4.909 1.00 0.00 O
+ATOM 218 CB GLU A 524 0.213 13.146 -6.750 1.00 0.00 C
+ATOM 219 CG GLU A 524 1.104 13.794 -7.829 1.00 0.00 C
+ATOM 220 CD GLU A 524 1.416 12.849 -8.983 1.00 0.00 C
+ATOM 221 OE1 GLU A 524 0.796 11.771 -9.091 1.00 0.00 O
+ATOM 222 OE2 GLU A 524 2.307 13.167 -9.800 1.00 0.00 O
+ATOM 223 H GLU A 524 0.117 16.099 -5.960 1.00 0.00 H
+ATOM 224 HA GLU A 524 -0.817 13.595 -4.914 1.00 0.00 H
+ATOM 225 HB2 GLU A 524 0.711 12.267 -6.349 1.00 0.00 H
+ATOM 226 HB3 GLU A 524 -0.737 12.845 -7.195 1.00 0.00 H
+ATOM 227 HG2 GLU A 524 0.610 14.674 -8.242 1.00 0.00 H
+ATOM 228 HG3 GLU A 524 2.047 14.107 -7.382 1.00 0.00 H
+ATOM 229 N ILE A 525 1.439 13.259 -3.845 1.00 0.00 N
+ATOM 230 CA ILE A 525 2.514 13.287 -2.871 1.00 0.00 C
+ATOM 231 C ILE A 525 3.596 12.342 -3.376 1.00 0.00 C
+ATOM 232 O ILE A 525 3.281 11.374 -4.074 1.00 0.00 O
+ATOM 233 CB ILE A 525 1.944 12.907 -1.492 1.00 0.00 C
+ATOM 234 CG1 ILE A 525 0.688 13.747 -1.160 1.00 0.00 C
+ATOM 235 CG2 ILE A 525 2.990 13.060 -0.376 1.00 0.00 C
+ATOM 236 CD1 ILE A 525 0.790 15.251 -1.438 1.00 0.00 C
+ATOM 237 H ILE A 525 0.856 12.438 -3.827 1.00 0.00 H
+ATOM 238 HA ILE A 525 2.914 14.296 -2.788 1.00 0.00 H
+ATOM 239 HB ILE A 525 1.642 11.858 -1.513 1.00 0.00 H
+ATOM 240 HG12 ILE A 525 -0.169 13.356 -1.707 1.00 0.00 H
+ATOM 241 HG13 ILE A 525 0.468 13.619 -0.114 1.00 0.00 H
+ATOM 242 HG21 ILE A 525 3.805 12.347 -0.508 1.00 0.00 H
+ATOM 243 HG22 ILE A 525 3.401 14.071 -0.374 1.00 0.00 H
+ATOM 244 HG23 ILE A 525 2.541 12.866 0.598 1.00 0.00 H
+ATOM 245 HD11 ILE A 525 -0.010 15.763 -0.906 1.00 0.00 H
+ATOM 246 HD12 ILE A 525 1.750 15.636 -1.098 1.00 0.00 H
+ATOM 247 HD13 ILE A 525 0.675 15.433 -2.507 1.00 0.00 H
+ATOM 248 N LEU A 526 4.845 12.588 -3.005 1.00 0.00 N
+ATOM 249 CA LEU A 526 6.001 11.782 -3.360 1.00 0.00 C
+ATOM 250 C LEU A 526 6.865 11.643 -2.116 1.00 0.00 C
+ATOM 251 O LEU A 526 6.635 12.278 -1.080 1.00 0.00 O
+ATOM 252 CB LEU A 526 6.769 12.460 -4.516 1.00 0.00 C
+ATOM 253 CG LEU A 526 6.793 11.783 -5.902 1.00 0.00 C
+ATOM 254 CD1 LEU A 526 7.911 10.744 -5.954 1.00 0.00 C
+ATOM 255 CD2 LEU A 526 5.460 11.163 -6.347 1.00 0.00 C
+ATOM 256 H LEU A 526 5.040 13.381 -2.407 1.00 0.00 H
+ATOM 257 HA LEU A 526 5.678 10.786 -3.657 1.00 0.00 H
+ATOM 258 HB2 LEU A 526 6.335 13.433 -4.650 1.00 0.00 H
+ATOM 259 HB3 LEU A 526 7.798 12.658 -4.213 1.00 0.00 H
+ATOM 260 HG LEU A 526 7.043 12.547 -6.635 1.00 0.00 H
+ATOM 261 HD11 LEU A 526 8.875 11.249 -5.899 1.00 0.00 H
+ATOM 262 HD12 LEU A 526 7.839 10.086 -5.104 1.00 0.00 H
+ATOM 263 HD13 LEU A 526 7.881 10.188 -6.892 1.00 0.00 H
+ATOM 264 HD21 LEU A 526 5.545 10.783 -7.364 1.00 0.00 H
+ATOM 265 HD22 LEU A 526 5.136 10.354 -5.697 1.00 0.00 H
+ATOM 266 HD23 LEU A 526 4.691 11.935 -6.348 1.00 0.00 H
+ATOM 267 N GLY A 527 7.892 10.817 -2.255 1.00 0.00 N
+ATOM 268 CA GLY A 527 8.787 10.473 -1.168 1.00 0.00 C
+ATOM 269 C GLY A 527 8.106 9.668 -0.062 1.00 0.00 C
+ATOM 270 O GLY A 527 6.948 9.255 -0.156 1.00 0.00 O
+ATOM 271 H GLY A 527 8.049 10.455 -3.182 1.00 0.00 H
+ATOM 272 HA2 GLY A 527 9.628 9.905 -1.562 1.00 0.00 H
+ATOM 273 HA3 GLY A 527 9.148 11.400 -0.734 1.00 0.00 H
+ATOM 274 N THR A 528 8.860 9.410 1.000 1.00 0.00 N
+ATOM 275 CA THR A 528 8.365 8.774 2.207 1.00 0.00 C
+ATOM 276 C THR A 528 7.702 9.839 3.098 1.00 0.00 C
+ATOM 277 O THR A 528 8.085 11.015 3.068 1.00 0.00 O
+ATOM 278 CB THR A 528 9.559 8.079 2.877 1.00 0.00 C
+ATOM 279 OG1 THR A 528 10.224 7.277 1.918 1.00 0.00 O
+ATOM 280 CG2 THR A 528 9.205 7.193 4.077 1.00 0.00 C
+ATOM 281 H THR A 528 9.797 9.780 1.052 1.00 0.00 H
+ATOM 282 HA THR A 528 7.632 8.021 1.926 1.00 0.00 H
+ATOM 283 HB THR A 528 10.252 8.846 3.214 1.00 0.00 H
+ATOM 284 HG1 THR A 528 9.963 7.563 1.032 1.00 0.00 H
+ATOM 285 HG21 THR A 528 8.531 6.395 3.777 1.00 0.00 H
+ATOM 286 HG22 THR A 528 10.114 6.755 4.490 1.00 0.00 H
+ATOM 287 HG23 THR A 528 8.722 7.783 4.853 1.00 0.00 H
+ATOM 288 N VAL A 529 6.732 9.417 3.903 1.00 0.00 N
+ATOM 289 CA VAL A 529 5.935 10.203 4.840 1.00 0.00 C
+ATOM 290 C VAL A 529 5.707 9.368 6.114 1.00 0.00 C
+ATOM 291 O VAL A 529 6.064 8.188 6.166 1.00 0.00 O
+ATOM 292 CB VAL A 529 4.608 10.644 4.171 1.00 0.00 C
+ATOM 293 CG1 VAL A 529 4.844 11.677 3.057 1.00 0.00 C
+ATOM 294 CG2 VAL A 529 3.811 9.466 3.586 1.00 0.00 C
+ATOM 295 H VAL A 529 6.482 8.434 3.850 1.00 0.00 H
+ATOM 296 HA VAL A 529 6.498 11.093 5.125 1.00 0.00 H
+ATOM 297 HB VAL A 529 3.991 11.125 4.930 1.00 0.00 H
+ATOM 298 HG11 VAL A 529 5.371 11.230 2.213 1.00 0.00 H
+ATOM 299 HG12 VAL A 529 3.886 12.063 2.708 1.00 0.00 H
+ATOM 300 HG13 VAL A 529 5.429 12.513 3.440 1.00 0.00 H
+ATOM 301 HG21 VAL A 529 3.546 8.762 4.375 1.00 0.00 H
+ATOM 302 HG22 VAL A 529 2.902 9.837 3.119 1.00 0.00 H
+ATOM 303 HG23 VAL A 529 4.390 8.952 2.822 1.00 0.00 H
+ATOM 304 N SER A 530 5.105 9.963 7.144 1.00 0.00 N
+ATOM 305 CA SER A 530 4.873 9.349 8.451 1.00 0.00 C
+ATOM 306 C SER A 530 3.364 9.320 8.701 1.00 0.00 C
+ATOM 307 O SER A 530 2.815 9.888 9.652 1.00 0.00 O
+ATOM 308 CB SER A 530 5.752 10.049 9.495 1.00 0.00 C
+ATOM 309 OG SER A 530 5.776 11.463 9.346 1.00 0.00 O
+ATOM 310 H SER A 530 4.775 10.914 7.066 1.00 0.00 H
+ATOM 311 HA SER A 530 5.197 8.308 8.427 1.00 0.00 H
+ATOM 312 HB2 SER A 530 5.504 9.749 10.510 1.00 0.00 H
+ATOM 313 HB3 SER A 530 6.755 9.684 9.332 1.00 0.00 H
+ATOM 314 HG SER A 530 6.587 11.803 9.768 1.00 0.00 H
+ATOM 315 N TRP A 531 2.686 8.693 7.744 1.00 0.00 N
+ATOM 316 CA TRP A 531 1.277 8.358 7.753 1.00 0.00 C
+ATOM 317 C TRP A 531 1.157 7.008 8.470 1.00 0.00 C
+ATOM 318 O TRP A 531 2.092 6.577 9.146 1.00 0.00 O
+ATOM 319 CB TRP A 531 0.767 8.357 6.297 1.00 0.00 C
+ATOM 320 CG TRP A 531 0.756 9.676 5.571 1.00 0.00 C
+ATOM 321 CD1 TRP A 531 1.134 10.871 6.079 1.00 0.00 C
+ATOM 322 CD2 TRP A 531 0.419 9.945 4.173 1.00 0.00 C
+ATOM 323 NE1 TRP A 531 1.111 11.836 5.093 1.00 0.00 N
+ATOM 324 CE2 TRP A 531 0.692 11.316 3.891 1.00 0.00 C
+ATOM 325 CE3 TRP A 531 -0.053 9.164 3.096 1.00 0.00 C
+ATOM 326 CZ2 TRP A 531 0.546 11.868 2.609 1.00 0.00 C
+ATOM 327 CZ3 TRP A 531 -0.192 9.700 1.802 1.00 0.00 C
+ATOM 328 CH2 TRP A 531 0.117 11.047 1.554 1.00 0.00 C
+ATOM 329 H TRP A 531 3.237 8.093 7.154 1.00 0.00 H
+ATOM 330 HA TRP A 531 0.727 9.101 8.327 1.00 0.00 H
+ATOM 331 HB2 TRP A 531 1.380 7.675 5.709 1.00 0.00 H
+ATOM 332 HB3 TRP A 531 -0.240 7.965 6.269 1.00 0.00 H
+ATOM 333 HD1 TRP A 531 1.446 11.040 7.098 1.00 0.00 H
+ATOM 334 HE1 TRP A 531 1.462 12.784 5.217 1.00 0.00 H
+ATOM 335 HE3 TRP A 531 -0.284 8.129 3.271 1.00 0.00 H
+ATOM 336 HZ2 TRP A 531 0.786 12.908 2.430 1.00 0.00 H
+ATOM 337 HZ3 TRP A 531 -0.516 9.071 0.989 1.00 0.00 H
+ATOM 338 HH2 TRP A 531 0.015 11.450 0.557 1.00 0.00 H
+ATOM 339 N ASN A 532 -0.006 6.353 8.402 1.00 0.00 N
+ATOM 340 CA ASN A 532 -0.193 5.050 9.039 1.00 0.00 C
+ATOM 341 C ASN A 532 -0.987 4.158 8.108 1.00 0.00 C
+ATOM 342 O ASN A 532 -0.408 3.544 7.220 1.00 0.00 O
+ATOM 343 CB ASN A 532 -0.814 5.194 10.438 1.00 0.00 C
+ATOM 344 CG ASN A 532 0.245 5.694 11.399 1.00 0.00 C
+ATOM 345 OD1 ASN A 532 1.028 4.904 11.913 1.00 0.00 O
+ATOM 346 ND2 ASN A 532 0.301 7.002 11.595 1.00 0.00 N
+ATOM 347 H ASN A 532 -0.716 6.710 7.787 1.00 0.00 H
+ATOM 348 HA ASN A 532 0.782 4.569 9.162 1.00 0.00 H
+ATOM 349 HB2 ASN A 532 -1.665 5.873 10.418 1.00 0.00 H
+ATOM 350 HB3 ASN A 532 -1.145 4.218 10.791 1.00 0.00 H
+ATOM 351 HD21 ASN A 532 -0.365 7.633 11.164 1.00 0.00 H
+ATOM 352 HD22 ASN A 532 1.173 7.360 11.958 1.00 0.00 H
+ATOM 353 N LEU A 533 -2.315 4.116 8.233 1.00 0.00 N
+ATOM 354 CA LEU A 533 -3.185 3.270 7.419 1.00 0.00 C
+ATOM 355 C LEU A 533 -4.392 4.069 6.943 1.00 0.00 C
+ATOM 356 O LEU A 533 -4.664 4.098 5.749 1.00 0.00 O
+ATOM 357 CB LEU A 533 -3.605 2.033 8.237 1.00 0.00 C
+ATOM 358 CG LEU A 533 -4.573 1.079 7.514 1.00 0.00 C
+ATOM 359 CD1 LEU A 533 -3.968 0.491 6.238 1.00 0.00 C
+ATOM 360 CD2 LEU A 533 -4.938 -0.069 8.463 1.00 0.00 C
+ATOM 361 H LEU A 533 -2.735 4.602 9.018 1.00 0.00 H
+ATOM 362 HA LEU A 533 -2.633 2.934 6.534 1.00 0.00 H
+ATOM 363 HB2 LEU A 533 -2.705 1.484 8.522 1.00 0.00 H
+ATOM 364 HB3 LEU A 533 -4.102 2.368 9.147 1.00 0.00 H
+ATOM 365 HG LEU A 533 -5.492 1.608 7.256 1.00 0.00 H
+ATOM 366 HD11 LEU A 533 -3.010 0.016 6.452 1.00 0.00 H
+ATOM 367 HD12 LEU A 533 -4.651 -0.242 5.808 1.00 0.00 H
+ATOM 368 HD13 LEU A 533 -3.817 1.279 5.499 1.00 0.00 H
+ATOM 369 HD21 LEU A 533 -4.040 -0.610 8.761 1.00 0.00 H
+ATOM 370 HD22 LEU A 533 -5.422 0.333 9.356 1.00 0.00 H
+ATOM 371 HD23 LEU A 533 -5.625 -0.753 7.968 1.00 0.00 H
+ATOM 372 N ARG A 534 -5.125 4.749 7.830 1.00 0.00 N
+ATOM 373 CA ARG A 534 -6.309 5.489 7.385 1.00 0.00 C
+ATOM 374 C ARG A 534 -5.921 6.655 6.482 1.00 0.00 C
+ATOM 375 O ARG A 534 -6.570 6.840 5.458 1.00 0.00 O
+ATOM 376 CB ARG A 534 -7.132 6.014 8.562 1.00 0.00 C
+ATOM 377 CG ARG A 534 -7.625 4.916 9.516 1.00 0.00 C
+ATOM 378 CD ARG A 534 -8.798 5.498 10.301 1.00 0.00 C
+ATOM 379 NE ARG A 534 -9.076 4.800 11.559 1.00 0.00 N
+ATOM 380 CZ ARG A 534 -10.044 5.148 12.412 1.00 0.00 C
+ATOM 381 NH1 ARG A 534 -10.942 6.070 12.070 1.00 0.00 N
+ATOM 382 NH2 ARG A 534 -10.096 4.575 13.608 1.00 0.00 N
+ATOM 383 H ARG A 534 -4.883 4.714 8.820 1.00 0.00 H
+ATOM 384 HA ARG A 534 -6.924 4.811 6.779 1.00 0.00 H
+ATOM 385 HB2 ARG A 534 -6.545 6.737 9.132 1.00 0.00 H
+ATOM 386 HB3 ARG A 534 -7.995 6.539 8.145 1.00 0.00 H
+ATOM 387 HG2 ARG A 534 -7.967 4.043 8.958 1.00 0.00 H
+ATOM 388 HG3 ARG A 534 -6.820 4.631 10.194 1.00 0.00 H
+ATOM 389 HD2 ARG A 534 -8.569 6.532 10.550 1.00 0.00 H
+ATOM 390 HD3 ARG A 534 -9.684 5.472 9.668 1.00 0.00 H
+ATOM 391 HE ARG A 534 -8.432 4.059 11.838 1.00 0.00 H
+ATOM 392 HH11 ARG A 534 -10.878 6.553 11.175 1.00 0.00 H
+ATOM 393 HH12 ARG A 534 -11.639 6.441 12.719 1.00 0.00 H
+ATOM 394 HH21 ARG A 534 -9.375 3.924 13.906 1.00 0.00 H
+ATOM 395 HH22 ARG A 534 -10.799 4.863 14.289 1.00 0.00 H
+ATOM 396 N GLU A 535 -4.842 7.374 6.817 1.00 0.00 N
+ATOM 397 CA GLU A 535 -4.302 8.455 5.986 1.00 0.00 C
+ATOM 398 C GLU A 535 -4.062 7.963 4.557 1.00 0.00 C
+ATOM 399 O GLU A 535 -4.356 8.628 3.564 1.00 0.00 O
+ATOM 400 CB GLU A 535 -2.954 8.905 6.561 1.00 0.00 C
+ATOM 401 CG GLU A 535 -3.045 9.486 7.970 1.00 0.00 C
+ATOM 402 CD GLU A 535 -2.185 10.731 8.135 1.00 0.00 C
+ATOM 403 OE1 GLU A 535 -2.650 11.811 7.701 1.00 0.00 O
+ATOM 404 OE2 GLU A 535 -1.105 10.622 8.757 1.00 0.00 O
+ATOM 405 H GLU A 535 -4.379 7.199 7.700 1.00 0.00 H
+ATOM 406 HA GLU A 535 -4.987 9.302 5.983 1.00 0.00 H
+ATOM 407 HB2 GLU A 535 -2.305 8.034 6.612 1.00 0.00 H
+ATOM 408 HB3 GLU A 535 -2.502 9.630 5.884 1.00 0.00 H
+ATOM 409 HG2 GLU A 535 -4.079 9.735 8.208 1.00 0.00 H
+ATOM 410 HG3 GLU A 535 -2.690 8.727 8.665 1.00 0.00 H
+ATOM 411 N MET A 536 -3.501 6.760 4.478 1.00 0.00 N
+ATOM 412 CA MET A 536 -3.088 6.123 3.254 1.00 0.00 C
+ATOM 413 C MET A 536 -4.309 5.760 2.432 1.00 0.00 C
+ATOM 414 O MET A 536 -4.333 6.040 1.238 1.00 0.00 O
+ATOM 415 CB MET A 536 -2.300 4.866 3.606 1.00 0.00 C
+ATOM 416 CG MET A 536 -1.042 5.177 4.412 1.00 0.00 C
+ATOM 417 SD MET A 536 0.323 5.601 3.341 1.00 0.00 S
+ATOM 418 CE MET A 536 0.680 3.926 2.802 1.00 0.00 C
+ATOM 419 H MET A 536 -3.351 6.246 5.330 1.00 0.00 H
+ATOM 420 HA MET A 536 -2.456 6.805 2.682 1.00 0.00 H
+ATOM 421 HB2 MET A 536 -2.909 4.163 4.162 1.00 0.00 H
+ATOM 422 HB3 MET A 536 -2.027 4.388 2.674 1.00 0.00 H
+ATOM 423 HG2 MET A 536 -1.211 5.982 5.126 1.00 0.00 H
+ATOM 424 HG3 MET A 536 -0.760 4.292 4.970 1.00 0.00 H
+ATOM 425 HE1 MET A 536 1.443 4.013 2.042 1.00 0.00 H
+ATOM 426 HE2 MET A 536 1.026 3.335 3.651 1.00 0.00 H
+ATOM 427 HE3 MET A 536 -0.205 3.449 2.381 1.00 0.00 H
+ATOM 428 N LEU A 537 -5.309 5.143 3.070 1.00 0.00 N
+ATOM 429 CA LEU A 537 -6.565 4.768 2.440 1.00 0.00 C
+ATOM 430 C LEU A 537 -7.269 5.993 1.874 1.00 0.00 C
+ATOM 431 O LEU A 537 -7.829 5.888 0.786 1.00 0.00 O
+ATOM 432 CB LEU A 537 -7.475 4.020 3.436 1.00 0.00 C
+ATOM 433 CG LEU A 537 -6.959 2.615 3.805 1.00 0.00 C
+ATOM 434 CD1 LEU A 537 -7.846 1.939 4.856 1.00 0.00 C
+ATOM 435 CD2 LEU A 537 -6.921 1.708 2.582 1.00 0.00 C
+ATOM 436 H LEU A 537 -5.187 4.969 4.062 1.00 0.00 H
+ATOM 437 HA LEU A 537 -6.339 4.121 1.594 1.00 0.00 H
+ATOM 438 HB2 LEU A 537 -7.568 4.618 4.342 1.00 0.00 H
+ATOM 439 HB3 LEU A 537 -8.465 3.921 2.987 1.00 0.00 H
+ATOM 440 HG LEU A 537 -5.952 2.681 4.205 1.00 0.00 H
+ATOM 441 HD11 LEU A 537 -7.361 1.021 5.192 1.00 0.00 H
+ATOM 442 HD12 LEU A 537 -7.981 2.597 5.714 1.00 0.00 H
+ATOM 443 HD13 LEU A 537 -8.805 1.678 4.417 1.00 0.00 H
+ATOM 444 HD21 LEU A 537 -6.696 0.693 2.895 1.00 0.00 H
+ATOM 445 HD22 LEU A 537 -7.873 1.742 2.057 1.00 0.00 H
+ATOM 446 HD23 LEU A 537 -6.127 2.043 1.921 1.00 0.00 H
+ATOM 447 N ALA A 538 -7.227 7.130 2.576 1.00 0.00 N
+ATOM 448 CA ALA A 538 -7.780 8.378 2.077 1.00 0.00 C
+ATOM 449 C ALA A 538 -7.055 8.796 0.795 1.00 0.00 C
+ATOM 450 O ALA A 538 -7.690 8.882 -0.250 1.00 0.00 O
+ATOM 451 CB ALA A 538 -7.714 9.457 3.166 1.00 0.00 C
+ATOM 452 H ALA A 538 -6.766 7.144 3.480 1.00 0.00 H
+ATOM 453 HA ALA A 538 -8.827 8.198 1.816 1.00 0.00 H
+ATOM 454 HB1 ALA A 538 -8.239 9.121 4.061 1.00 0.00 H
+ATOM 455 HB2 ALA A 538 -6.680 9.690 3.420 1.00 0.00 H
+ATOM 456 HB3 ALA A 538 -8.191 10.361 2.792 1.00 0.00 H
+ATOM 457 N HIS A 539 -5.734 9.006 0.838 1.00 0.00 N
+ATOM 458 CA HIS A 539 -4.975 9.469 -0.328 1.00 0.00 C
+ATOM 459 C HIS A 539 -5.092 8.512 -1.520 1.00 0.00 C
+ATOM 460 O HIS A 539 -5.244 8.952 -2.662 1.00 0.00 O
+ATOM 461 CB HIS A 539 -3.510 9.682 0.055 1.00 0.00 C
+ATOM 462 CG HIS A 539 -2.703 10.234 -1.090 1.00 0.00 C
+ATOM 463 ND1 HIS A 539 -2.952 11.423 -1.749 1.00 0.00 N
+ATOM 464 CD2 HIS A 539 -1.665 9.604 -1.717 1.00 0.00 C
+ATOM 465 CE1 HIS A 539 -2.062 11.526 -2.748 1.00 0.00 C
+ATOM 466 NE2 HIS A 539 -1.259 10.439 -2.744 1.00 0.00 N
+ATOM 467 H HIS A 539 -5.274 8.941 1.740 1.00 0.00 H
+ATOM 468 HA HIS A 539 -5.395 10.431 -0.625 1.00 0.00 H
+ATOM 469 HB2 HIS A 539 -3.459 10.388 0.883 1.00 0.00 H
+ATOM 470 HB3 HIS A 539 -3.078 8.736 0.388 1.00 0.00 H
+ATOM 471 HD1 HIS A 539 -3.752 12.061 -1.614 1.00 0.00 H
+ATOM 472 HD2 HIS A 539 -1.271 8.625 -1.476 1.00 0.00 H
+ATOM 473 HE1 HIS A 539 -2.057 12.349 -3.451 1.00 0.00 H
+ATOM 474 HE2 HIS A 539 -0.491 10.252 -3.397 1.00 0.00 H
+ATOM 475 N ALA A 540 -4.984 7.210 -1.263 1.00 0.00 N
+ATOM 476 CA ALA A 540 -5.250 6.136 -2.207 1.00 0.00 C
+ATOM 477 C ALA A 540 -6.600 6.333 -2.892 1.00 0.00 C
+ATOM 478 O ALA A 540 -6.629 6.418 -4.117 1.00 0.00 O
+ATOM 479 CB ALA A 540 -5.229 4.801 -1.459 1.00 0.00 C
+ATOM 480 H ALA A 540 -4.715 6.947 -0.323 1.00 0.00 H
+ATOM 481 HA ALA A 540 -4.482 6.129 -2.992 1.00 0.00 H
+ATOM 482 HB1 ALA A 540 -5.943 4.808 -0.640 1.00 0.00 H
+ATOM 483 HB2 ALA A 540 -5.511 4.012 -2.147 1.00 0.00 H
+ATOM 484 HB3 ALA A 540 -4.233 4.601 -1.068 1.00 0.00 H
+ATOM 485 N GLU A 541 -7.699 6.409 -2.129 1.00 0.00 N
+ATOM 486 CA GLU A 541 -9.032 6.621 -2.673 1.00 0.00 C
+ATOM 487 C GLU A 541 -9.047 7.891 -3.504 1.00 0.00 C
+ATOM 488 O GLU A 541 -9.444 7.840 -4.661 1.00 0.00 O
+ATOM 489 CB GLU A 541 -10.097 6.739 -1.568 1.00 0.00 C
+ATOM 490 CG GLU A 541 -10.994 5.507 -1.470 1.00 0.00 C
+ATOM 491 CD GLU A 541 -12.295 5.766 -0.710 1.00 0.00 C
+ATOM 492 OE1 GLU A 541 -13.022 6.752 -0.989 1.00 0.00 O
+ATOM 493 OE2 GLU A 541 -12.607 4.992 0.222 1.00 0.00 O
+ATOM 494 H GLU A 541 -7.655 6.368 -1.116 1.00 0.00 H
+ATOM 495 HA GLU A 541 -9.278 5.790 -3.335 1.00 0.00 H
+ATOM 496 HB2 GLU A 541 -9.647 6.954 -0.600 1.00 0.00 H
+ATOM 497 HB3 GLU A 541 -10.730 7.577 -1.811 1.00 0.00 H
+ATOM 498 HG2 GLU A 541 -11.230 5.143 -2.467 1.00 0.00 H
+ATOM 499 HG3 GLU A 541 -10.434 4.747 -0.939 1.00 0.00 H
+ATOM 500 N GLU A 542 -8.618 9.003 -2.911 1.00 0.00 N
+ATOM 501 CA GLU A 542 -8.623 10.346 -3.465 1.00 0.00 C
+ATOM 502 C GLU A 542 -8.074 10.337 -4.885 1.00 0.00 C
+ATOM 503 O GLU A 542 -8.736 10.769 -5.830 1.00 0.00 O
+ATOM 504 CB GLU A 542 -7.813 11.246 -2.521 1.00 0.00 C
+ATOM 505 CG GLU A 542 -7.381 12.611 -3.069 1.00 0.00 C
+ATOM 506 CD GLU A 542 -6.418 13.247 -2.071 1.00 0.00 C
+ATOM 507 OE1 GLU A 542 -5.258 12.786 -1.957 1.00 0.00 O
+ATOM 508 OE2 GLU A 542 -6.845 14.142 -1.316 1.00 0.00 O
+ATOM 509 H GLU A 542 -8.306 8.931 -1.945 1.00 0.00 H
+ATOM 510 HA GLU A 542 -9.642 10.701 -3.490 1.00 0.00 H
+ATOM 511 HB2 GLU A 542 -8.390 11.397 -1.609 1.00 0.00 H
+ATOM 512 HB3 GLU A 542 -6.908 10.713 -2.253 1.00 0.00 H
+ATOM 513 HG2 GLU A 542 -6.869 12.503 -4.024 1.00 0.00 H
+ATOM 514 HG3 GLU A 542 -8.255 13.246 -3.213 1.00 0.00 H
+ATOM 515 N THR A 543 -6.865 9.811 -5.032 1.00 0.00 N
+ATOM 516 CA THR A 543 -6.126 9.865 -6.280 1.00 0.00 C
+ATOM 517 C THR A 543 -6.364 8.636 -7.170 1.00 0.00 C
+ATOM 518 O THR A 543 -5.873 8.593 -8.301 1.00 0.00 O
+ATOM 519 CB THR A 543 -4.643 10.112 -5.974 1.00 0.00 C
+ATOM 520 OG1 THR A 543 -4.102 9.164 -5.071 1.00 0.00 O
+ATOM 521 CG2 THR A 543 -4.397 11.492 -5.361 1.00 0.00 C
+ATOM 522 H THR A 543 -6.420 9.423 -4.209 1.00 0.00 H
+ATOM 523 HA THR A 543 -6.484 10.725 -6.846 1.00 0.00 H
+ATOM 524 HB THR A 543 -4.105 10.064 -6.920 1.00 0.00 H
+ATOM 525 HG1 THR A 543 -4.595 9.202 -4.230 1.00 0.00 H
+ATOM 526 HG21 THR A 543 -3.334 11.717 -5.383 1.00 0.00 H
+ATOM 527 HG22 THR A 543 -4.922 12.258 -5.930 1.00 0.00 H
+ATOM 528 HG23 THR A 543 -4.750 11.516 -4.332 1.00 0.00 H
+ATOM 529 N ARG A 544 -7.136 7.649 -6.693 1.00 0.00 N
+ATOM 530 CA ARG A 544 -7.280 6.304 -7.266 1.00 0.00 C
+ATOM 531 C ARG A 544 -5.909 5.631 -7.486 1.00 0.00 C
+ATOM 532 O ARG A 544 -5.740 4.833 -8.415 1.00 0.00 O
+ATOM 533 CB ARG A 544 -8.209 6.288 -8.503 1.00 0.00 C
+ATOM 534 CG ARG A 544 -9.700 6.550 -8.201 1.00 0.00 C
+ATOM 535 CD ARG A 544 -10.010 8.011 -7.861 1.00 0.00 C
+ATOM 536 NE ARG A 544 -11.450 8.334 -7.946 1.00 0.00 N
+ATOM 537 CZ ARG A 544 -12.323 8.419 -6.929 1.00 0.00 C
+ATOM 538 NH1 ARG A 544 -11.979 8.116 -5.684 1.00 0.00 N
+ATOM 539 NH2 ARG A 544 -13.570 8.813 -7.146 1.00 0.00 N
+ATOM 540 H ARG A 544 -7.522 7.759 -5.760 1.00 0.00 H
+ATOM 541 HA ARG A 544 -7.798 5.709 -6.516 1.00 0.00 H
+ATOM 542 HB2 ARG A 544 -7.849 6.991 -9.255 1.00 0.00 H
+ATOM 543 HB3 ARG A 544 -8.164 5.293 -8.947 1.00 0.00 H
+ATOM 544 HG2 ARG A 544 -10.268 6.289 -9.094 1.00 0.00 H
+ATOM 545 HG3 ARG A 544 -10.036 5.907 -7.388 1.00 0.00 H
+ATOM 546 HD2 ARG A 544 -9.633 8.264 -6.883 1.00 0.00 H
+ATOM 547 HD3 ARG A 544 -9.454 8.631 -8.552 1.00 0.00 H
+ATOM 548 HE ARG A 544 -11.768 8.544 -8.882 1.00 0.00 H
+ATOM 549 HH11 ARG A 544 -11.003 7.909 -5.460 1.00 0.00 H
+ATOM 550 HH12 ARG A 544 -12.620 8.194 -4.909 1.00 0.00 H
+ATOM 551 HH21 ARG A 544 -13.881 9.167 -8.045 1.00 0.00 H
+ATOM 552 HH22 ARG A 544 -14.247 8.874 -6.378 1.00 0.00 H
+ATOM 553 N LYS A 545 -4.902 5.973 -6.668 1.00 0.00 N
+ATOM 554 CA LYS A 545 -3.570 5.362 -6.726 1.00 0.00 C
+ATOM 555 C LYS A 545 -3.639 3.907 -6.277 1.00 0.00 C
+ATOM 556 O LYS A 545 -4.612 3.491 -5.640 1.00 0.00 O
+ATOM 557 CB LYS A 545 -2.536 6.198 -5.952 1.00 0.00 C
+ATOM 558 CG LYS A 545 -2.132 7.402 -6.821 1.00 0.00 C
+ATOM 559 CD LYS A 545 -1.215 8.396 -6.101 1.00 0.00 C
+ATOM 560 CE LYS A 545 -1.196 9.763 -6.810 1.00 0.00 C
+ATOM 561 NZ LYS A 545 -0.654 9.702 -8.180 1.00 0.00 N
+ATOM 562 H LYS A 545 -5.145 6.537 -5.865 1.00 0.00 H
+ATOM 563 HA LYS A 545 -3.248 5.342 -7.759 1.00 0.00 H
+ATOM 564 HB2 LYS A 545 -2.963 6.529 -5.005 1.00 0.00 H
+ATOM 565 HB3 LYS A 545 -1.647 5.601 -5.743 1.00 0.00 H
+ATOM 566 HG2 LYS A 545 -1.621 7.053 -7.722 1.00 0.00 H
+ATOM 567 HG3 LYS A 545 -3.038 7.923 -7.123 1.00 0.00 H
+ATOM 568 HD2 LYS A 545 -1.577 8.546 -5.084 1.00 0.00 H
+ATOM 569 HD3 LYS A 545 -0.208 7.984 -6.037 1.00 0.00 H
+ATOM 570 HE2 LYS A 545 -2.207 10.160 -6.850 1.00 0.00 H
+ATOM 571 HE3 LYS A 545 -0.586 10.451 -6.229 1.00 0.00 H
+ATOM 572 HZ1 LYS A 545 0.251 9.255 -8.175 1.00 0.00 H
+ATOM 573 HZ2 LYS A 545 -1.308 9.246 -8.815 1.00 0.00 H
+ATOM 574 HZ3 LYS A 545 -0.465 10.634 -8.553 1.00 0.00 H
+ATOM 575 N LEU A 546 -2.610 3.124 -6.601 1.00 0.00 N
+ATOM 576 CA LEU A 546 -2.615 1.675 -6.407 1.00 0.00 C
+ATOM 577 C LEU A 546 -1.883 1.293 -5.116 1.00 0.00 C
+ATOM 578 O LEU A 546 -0.834 1.848 -4.791 1.00 0.00 O
+ATOM 579 CB LEU A 546 -2.017 1.025 -7.663 1.00 0.00 C
+ATOM 580 CG LEU A 546 -1.767 -0.490 -7.569 1.00 0.00 C
+ATOM 581 CD1 LEU A 546 -3.042 -1.329 -7.463 1.00 0.00 C
+ATOM 582 CD2 LEU A 546 -0.988 -0.982 -8.792 1.00 0.00 C
+ATOM 583 H LEU A 546 -1.816 3.538 -7.077 1.00 0.00 H
+ATOM 584 HA LEU A 546 -3.647 1.339 -6.327 1.00 0.00 H
+ATOM 585 HB2 LEU A 546 -2.686 1.221 -8.496 1.00 0.00 H
+ATOM 586 HB3 LEU A 546 -1.075 1.522 -7.885 1.00 0.00 H
+ATOM 587 HG LEU A 546 -1.162 -0.672 -6.688 1.00 0.00 H
+ATOM 588 HD11 LEU A 546 -2.795 -2.383 -7.327 1.00 0.00 H
+ATOM 589 HD12 LEU A 546 -3.632 -1.019 -6.609 1.00 0.00 H
+ATOM 590 HD13 LEU A 546 -3.631 -1.222 -8.373 1.00 0.00 H
+ATOM 591 HD21 LEU A 546 -1.613 -0.909 -9.682 1.00 0.00 H
+ATOM 592 HD22 LEU A 546 -0.094 -0.381 -8.948 1.00 0.00 H
+ATOM 593 HD23 LEU A 546 -0.703 -2.019 -8.640 1.00 0.00 H
+ATOM 594 N MET A 547 -2.418 0.307 -4.397 1.00 0.00 N
+ATOM 595 CA MET A 547 -2.010 -0.050 -3.048 1.00 0.00 C
+ATOM 596 C MET A 547 -1.615 -1.535 -2.990 1.00 0.00 C
+ATOM 597 O MET A 547 -2.499 -2.391 -2.883 1.00 0.00 O
+ATOM 598 CB MET A 547 -3.164 0.286 -2.087 1.00 0.00 C
+ATOM 599 CG MET A 547 -2.664 0.932 -0.802 1.00 0.00 C
+ATOM 600 SD MET A 547 -3.998 1.133 0.393 1.00 0.00 S
+ATOM 601 CE MET A 547 -3.204 2.245 1.560 1.00 0.00 C
+ATOM 602 H MET A 547 -3.303 -0.074 -4.712 1.00 0.00 H
+ATOM 603 HA MET A 547 -1.164 0.576 -2.766 1.00 0.00 H
+ATOM 604 HB2 MET A 547 -3.872 0.966 -2.555 1.00 0.00 H
+ATOM 605 HB3 MET A 547 -3.721 -0.605 -1.831 1.00 0.00 H
+ATOM 606 HG2 MET A 547 -1.876 0.319 -0.361 1.00 0.00 H
+ATOM 607 HG3 MET A 547 -2.259 1.914 -1.042 1.00 0.00 H
+ATOM 608 HE1 MET A 547 -2.277 1.796 1.914 1.00 0.00 H
+ATOM 609 HE2 MET A 547 -2.994 3.188 1.055 1.00 0.00 H
+ATOM 610 HE3 MET A 547 -3.880 2.414 2.400 1.00 0.00 H
+ATOM 611 N PRO A 548 -0.324 -1.896 -3.052 1.00 0.00 N
+ATOM 612 CA PRO A 548 0.088 -3.269 -2.794 1.00 0.00 C
+ATOM 613 C PRO A 548 -0.197 -3.600 -1.324 1.00 0.00 C
+ATOM 614 O PRO A 548 0.144 -2.820 -0.427 1.00 0.00 O
+ATOM 615 CB PRO A 548 1.573 -3.327 -3.154 1.00 0.00 C
+ATOM 616 CG PRO A 548 2.049 -1.891 -2.943 1.00 0.00 C
+ATOM 617 CD PRO A 548 0.825 -1.037 -3.276 1.00 0.00 C
+ATOM 618 HA PRO A 548 -0.466 -3.949 -3.439 1.00 0.00 H
+ATOM 619 HB2 PRO A 548 2.115 -4.040 -2.536 1.00 0.00 H
+ATOM 620 HB3 PRO A 548 1.682 -3.593 -4.204 1.00 0.00 H
+ATOM 621 HG2 PRO A 548 2.295 -1.738 -1.898 1.00 0.00 H
+ATOM 622 HG3 PRO A 548 2.908 -1.660 -3.568 1.00 0.00 H
+ATOM 623 HD2 PRO A 548 0.789 -0.167 -2.626 1.00 0.00 H
+ATOM 624 HD3 PRO A 548 0.852 -0.719 -4.317 1.00 0.00 H
+ATOM 625 N ILE A 549 -0.838 -4.737 -1.063 1.00 0.00 N
+ATOM 626 CA ILE A 549 -1.202 -5.221 0.264 1.00 0.00 C
+ATOM 627 C ILE A 549 -0.926 -6.725 0.278 1.00 0.00 C
+ATOM 628 O ILE A 549 -0.973 -7.393 -0.753 1.00 0.00 O
+ATOM 629 CB ILE A 549 -2.685 -4.875 0.558 1.00 0.00 C
+ATOM 630 CG1 ILE A 549 -2.962 -3.364 0.644 1.00 0.00 C
+ATOM 631 CG2 ILE A 549 -3.263 -5.526 1.822 1.00 0.00 C
+ATOM 632 CD1 ILE A 549 -2.319 -2.603 1.799 1.00 0.00 C
+ATOM 633 H ILE A 549 -1.074 -5.364 -1.833 1.00 0.00 H
+ATOM 634 HA ILE A 549 -0.564 -4.754 1.013 1.00 0.00 H
+ATOM 635 HB ILE A 549 -3.274 -5.249 -0.276 1.00 0.00 H
+ATOM 636 HG12 ILE A 549 -2.656 -2.888 -0.285 1.00 0.00 H
+ATOM 637 HG13 ILE A 549 -4.035 -3.236 0.751 1.00 0.00 H
+ATOM 638 HG21 ILE A 549 -3.269 -6.612 1.717 1.00 0.00 H
+ATOM 639 HG22 ILE A 549 -2.681 -5.241 2.694 1.00 0.00 H
+ATOM 640 HG23 ILE A 549 -4.295 -5.207 1.963 1.00 0.00 H
+ATOM 641 HD11 ILE A 549 -2.786 -2.881 2.741 1.00 0.00 H
+ATOM 642 HD12 ILE A 549 -1.254 -2.804 1.849 1.00 0.00 H
+ATOM 643 HD13 ILE A 549 -2.479 -1.539 1.626 1.00 0.00 H
+ATOM 644 N CYS A 550 -0.665 -7.263 1.464 1.00 0.00 N
+ATOM 645 CA CYS A 550 -0.418 -8.669 1.691 1.00 0.00 C
+ATOM 646 C CYS A 550 -1.509 -9.181 2.621 1.00 0.00 C
+ATOM 647 O CYS A 550 -1.576 -8.738 3.774 1.00 0.00 O
+ATOM 648 CB CYS A 550 0.969 -8.826 2.317 1.00 0.00 C
+ATOM 649 SG CYS A 550 1.592 -10.505 2.017 1.00 0.00 S
+ATOM 650 H CYS A 550 -0.701 -6.665 2.280 1.00 0.00 H
+ATOM 651 HA CYS A 550 -0.450 -9.200 0.739 1.00 0.00 H
+ATOM 652 HB2 CYS A 550 1.646 -8.122 1.849 1.00 0.00 H
+ATOM 653 HB3 CYS A 550 0.917 -8.592 3.384 1.00 0.00 H
+ATOM 654 HG CYS A 550 1.438 -10.485 0.676 1.00 0.00 H
+ATOM 655 N MET A 551 -2.339 -10.108 2.139 1.00 0.00 N
+ATOM 656 CA MET A 551 -3.395 -10.757 2.911 1.00 0.00 C
+ATOM 657 C MET A 551 -2.870 -11.355 4.222 1.00 0.00 C
+ATOM 658 O MET A 551 -3.621 -11.415 5.193 1.00 0.00 O
+ATOM 659 CB MET A 551 -4.121 -11.809 2.048 1.00 0.00 C
+ATOM 660 CG MET A 551 -3.246 -13.010 1.643 1.00 0.00 C
+ATOM 661 SD MET A 551 -4.076 -14.332 0.712 1.00 0.00 S
+ATOM 662 CE MET A 551 -4.702 -13.435 -0.739 1.00 0.00 C
+ATOM 663 H MET A 551 -2.275 -10.351 1.152 1.00 0.00 H
+ATOM 664 HA MET A 551 -4.121 -9.988 3.170 1.00 0.00 H
+ATOM 665 HB2 MET A 551 -4.980 -12.183 2.603 1.00 0.00 H
+ATOM 666 HB3 MET A 551 -4.499 -11.319 1.151 1.00 0.00 H
+ATOM 667 HG2 MET A 551 -2.403 -12.657 1.053 1.00 0.00 H
+ATOM 668 HG3 MET A 551 -2.841 -13.463 2.545 1.00 0.00 H
+ATOM 669 HE1 MET A 551 -5.129 -14.135 -1.459 1.00 0.00 H
+ATOM 670 HE2 MET A 551 -5.470 -12.729 -0.432 1.00 0.00 H
+ATOM 671 HE3 MET A 551 -3.898 -12.886 -1.221 1.00 0.00 H
+ATOM 672 N ASP A 552 -1.589 -11.741 4.264 1.00 0.00 N
+ATOM 673 CA ASP A 552 -0.847 -12.203 5.439 1.00 0.00 C
+ATOM 674 C ASP A 552 -1.099 -11.311 6.656 1.00 0.00 C
+ATOM 675 O ASP A 552 -1.321 -11.820 7.759 1.00 0.00 O
+ATOM 676 CB ASP A 552 0.645 -12.221 5.071 1.00 0.00 C
+ATOM 677 CG ASP A 552 1.600 -12.396 6.257 1.00 0.00 C
+ATOM 678 OD1 ASP A 552 1.932 -11.390 6.928 1.00 0.00 O
+ATOM 679 OD2 ASP A 552 2.129 -13.513 6.448 1.00 0.00 O
+ATOM 680 H ASP A 552 -1.058 -11.637 3.412 1.00 0.00 H
+ATOM 681 HA ASP A 552 -1.160 -13.217 5.689 1.00 0.00 H
+ATOM 682 HB2 ASP A 552 0.815 -13.017 4.344 1.00 0.00 H
+ATOM 683 HB3 ASP A 552 0.894 -11.279 4.586 1.00 0.00 H
+ATOM 684 N VAL A 553 -1.113 -9.989 6.463 1.00 0.00 N
+ATOM 685 CA VAL A 553 -1.252 -9.027 7.546 1.00 0.00 C
+ATOM 686 C VAL A 553 -2.735 -8.792 7.812 1.00 0.00 C
+ATOM 687 O VAL A 553 -3.304 -7.755 7.471 1.00 0.00 O
+ATOM 688 CB VAL A 553 -0.451 -7.737 7.281 1.00 0.00 C
+ATOM 689 CG1 VAL A 553 -0.253 -6.966 8.598 1.00 0.00 C
+ATOM 690 CG2 VAL A 553 0.931 -7.991 6.665 1.00 0.00 C
+ATOM 691 H VAL A 553 -1.036 -9.629 5.520 1.00 0.00 H
+ATOM 692 HA VAL A 553 -0.838 -9.486 8.438 1.00 0.00 H
+ATOM 693 HB VAL A 553 -1.008 -7.116 6.584 1.00 0.00 H
+ATOM 694 HG11 VAL A 553 0.349 -6.075 8.426 1.00 0.00 H
+ATOM 695 HG12 VAL A 553 -1.217 -6.669 9.008 1.00 0.00 H
+ATOM 696 HG13 VAL A 553 0.267 -7.597 9.322 1.00 0.00 H
+ATOM 697 HG21 VAL A 553 0.841 -8.461 5.687 1.00 0.00 H
+ATOM 698 HG22 VAL A 553 1.462 -7.048 6.539 1.00 0.00 H
+ATOM 699 HG23 VAL A 553 1.505 -8.643 7.322 1.00 0.00 H
+ATOM 700 N ARG A 554 -3.374 -9.766 8.454 1.00 0.00 N
+ATOM 701 CA ARG A 554 -4.791 -9.730 8.794 1.00 0.00 C
+ATOM 702 C ARG A 554 -5.187 -8.469 9.563 1.00 0.00 C
+ATOM 703 O ARG A 554 -6.309 -8.017 9.373 1.00 0.00 O
+ATOM 704 CB ARG A 554 -5.149 -11.007 9.559 1.00 0.00 C
+ATOM 705 CG ARG A 554 -5.360 -12.216 8.638 1.00 0.00 C
+ATOM 706 CD ARG A 554 -6.732 -12.175 7.936 1.00 0.00 C
+ATOM 707 NE ARG A 554 -7.408 -13.482 8.001 1.00 0.00 N
+ATOM 708 CZ ARG A 554 -8.202 -14.074 7.101 1.00 0.00 C
+ATOM 709 NH1 ARG A 554 -8.272 -13.646 5.846 1.00 0.00 N
+ATOM 710 NH2 ARG A 554 -8.926 -15.112 7.500 1.00 0.00 N
+ATOM 711 H ARG A 554 -2.837 -10.609 8.634 1.00 0.00 H
+ATOM 712 HA ARG A 554 -5.354 -9.717 7.864 1.00 0.00 H
+ATOM 713 HB2 ARG A 554 -4.340 -11.233 10.246 1.00 0.00 H
+ATOM 714 HB3 ARG A 554 -6.050 -10.847 10.147 1.00 0.00 H
+ATOM 715 HG2 ARG A 554 -4.553 -12.264 7.902 1.00 0.00 H
+ATOM 716 HG3 ARG A 554 -5.304 -13.109 9.258 1.00 0.00 H
+ATOM 717 HD2 ARG A 554 -7.375 -11.455 8.442 1.00 0.00 H
+ATOM 718 HD3 ARG A 554 -6.612 -11.834 6.912 1.00 0.00 H
+ATOM 719 HE ARG A 554 -7.357 -13.930 8.913 1.00 0.00 H
+ATOM 720 HH11 ARG A 554 -7.462 -13.132 5.495 1.00 0.00 H
+ATOM 721 HH12 ARG A 554 -8.806 -14.147 5.133 1.00 0.00 H
+ATOM 722 HH21 ARG A 554 -8.829 -15.462 8.444 1.00 0.00 H
+ATOM 723 HH22 ARG A 554 -9.568 -15.612 6.876 1.00 0.00 H
+ATOM 724 N ALA A 555 -4.293 -7.836 10.332 1.00 0.00 N
+ATOM 725 CA ALA A 555 -4.572 -6.562 10.998 1.00 0.00 C
+ATOM 726 C ALA A 555 -4.947 -5.452 10.004 1.00 0.00 C
+ATOM 727 O ALA A 555 -5.885 -4.680 10.224 1.00 0.00 O
+ATOM 728 CB ALA A 555 -3.341 -6.147 11.816 1.00 0.00 C
+ATOM 729 H ALA A 555 -3.412 -8.296 10.508 1.00 0.00 H
+ATOM 730 HA ALA A 555 -5.419 -6.708 11.665 1.00 0.00 H
+ATOM 731 HB1 ALA A 555 -3.550 -5.215 12.344 1.00 0.00 H
+ATOM 732 HB2 ALA A 555 -3.100 -6.918 12.548 1.00 0.00 H
+ATOM 733 HB3 ALA A 555 -2.481 -5.998 11.163 1.00 0.00 H
+ATOM 734 N ILE A 556 -4.201 -5.359 8.902 1.00 0.00 N
+ATOM 735 CA ILE A 556 -4.468 -4.432 7.807 1.00 0.00 C
+ATOM 736 C ILE A 556 -5.814 -4.824 7.182 1.00 0.00 C
+ATOM 737 O ILE A 556 -6.680 -3.965 6.977 1.00 0.00 O
+ATOM 738 CB ILE A 556 -3.251 -4.462 6.841 1.00 0.00 C
+ATOM 739 CG1 ILE A 556 -2.073 -3.701 7.494 1.00 0.00 C
+ATOM 740 CG2 ILE A 556 -3.533 -3.922 5.433 1.00 0.00 C
+ATOM 741 CD1 ILE A 556 -0.738 -3.878 6.764 1.00 0.00 C
+ATOM 742 H ILE A 556 -3.527 -6.095 8.730 1.00 0.00 H
+ATOM 743 HA ILE A 556 -4.572 -3.424 8.211 1.00 0.00 H
+ATOM 744 HB ILE A 556 -2.942 -5.494 6.703 1.00 0.00 H
+ATOM 745 HG12 ILE A 556 -2.308 -2.637 7.546 1.00 0.00 H
+ATOM 746 HG13 ILE A 556 -1.930 -4.061 8.513 1.00 0.00 H
+ATOM 747 HG21 ILE A 556 -2.644 -4.021 4.808 1.00 0.00 H
+ATOM 748 HG22 ILE A 556 -4.307 -4.525 4.962 1.00 0.00 H
+ATOM 749 HG23 ILE A 556 -3.843 -2.878 5.476 1.00 0.00 H
+ATOM 750 HD11 ILE A 556 -0.761 -3.382 5.795 1.00 0.00 H
+ATOM 751 HD12 ILE A 556 0.063 -3.449 7.368 1.00 0.00 H
+ATOM 752 HD13 ILE A 556 -0.527 -4.931 6.608 1.00 0.00 H
+ATOM 753 N MET A 557 -6.016 -6.118 6.924 1.00 0.00 N
+ATOM 754 CA MET A 557 -7.198 -6.610 6.229 1.00 0.00 C
+ATOM 755 C MET A 557 -8.471 -6.344 7.034 1.00 0.00 C
+ATOM 756 O MET A 557 -9.469 -5.912 6.457 1.00 0.00 O
+ATOM 757 CB MET A 557 -7.067 -8.102 5.876 1.00 0.00 C
+ATOM 758 CG MET A 557 -5.750 -8.508 5.195 1.00 0.00 C
+ATOM 759 SD MET A 557 -5.103 -7.333 3.981 1.00 0.00 S
+ATOM 760 CE MET A 557 -6.469 -7.379 2.808 1.00 0.00 C
+ATOM 761 H MET A 557 -5.279 -6.773 7.163 1.00 0.00 H
+ATOM 762 HA MET A 557 -7.279 -6.049 5.299 1.00 0.00 H
+ATOM 763 HB2 MET A 557 -7.183 -8.703 6.762 1.00 0.00 H
+ATOM 764 HB3 MET A 557 -7.900 -8.360 5.229 1.00 0.00 H
+ATOM 765 HG2 MET A 557 -4.991 -8.639 5.960 1.00 0.00 H
+ATOM 766 HG3 MET A 557 -5.887 -9.479 4.715 1.00 0.00 H
+ATOM 767 HE1 MET A 557 -6.423 -8.309 2.243 1.00 0.00 H
+ATOM 768 HE2 MET A 557 -7.410 -7.325 3.358 1.00 0.00 H
+ATOM 769 HE3 MET A 557 -6.387 -6.534 2.128 1.00 0.00 H
+ATOM 770 N ALA A 558 -8.433 -6.525 8.356 1.00 0.00 N
+ATOM 771 CA ALA A 558 -9.554 -6.327 9.265 1.00 0.00 C
+ATOM 772 C ALA A 558 -10.001 -4.862 9.334 1.00 0.00 C
+ATOM 773 O ALA A 558 -11.107 -4.593 9.809 1.00 0.00 O
+ATOM 774 CB ALA A 558 -9.164 -6.835 10.658 1.00 0.00 C
+ATOM 775 H ALA A 558 -7.584 -6.912 8.755 1.00 0.00 H
+ATOM 776 HA ALA A 558 -10.396 -6.921 8.905 1.00 0.00 H
+ATOM 777 HB1 ALA A 558 -10.011 -6.740 11.338 1.00 0.00 H
+ATOM 778 HB2 ALA A 558 -8.872 -7.884 10.604 1.00 0.00 H
+ATOM 779 HB3 ALA A 558 -8.329 -6.252 11.051 1.00 0.00 H
+ATOM 780 N THR A 559 -9.177 -3.922 8.861 1.00 0.00 N
+ATOM 781 CA THR A 559 -9.570 -2.539 8.650 1.00 0.00 C
+ATOM 782 C THR A 559 -10.154 -2.392 7.243 1.00 0.00 C
+ATOM 783 O THR A 559 -11.289 -1.930 7.117 1.00 0.00 O
+ATOM 784 CB THR A 559 -8.358 -1.620 8.881 1.00 0.00 C
+ATOM 785 OG1 THR A 559 -7.811 -1.850 10.168 1.00 0.00 O
+ATOM 786 CG2 THR A 559 -8.743 -0.139 8.788 1.00 0.00 C
+ATOM 787 H THR A 559 -8.282 -4.213 8.491 1.00 0.00 H
+ATOM 788 HA THR A 559 -10.359 -2.279 9.363 1.00 0.00 H
+ATOM 789 HB THR A 559 -7.595 -1.831 8.134 1.00 0.00 H
+ATOM 790 HG1 THR A 559 -7.350 -2.704 10.160 1.00 0.00 H
+ATOM 791 HG21 THR A 559 -9.555 0.082 9.479 1.00 0.00 H
+ATOM 792 HG22 THR A 559 -7.884 0.486 9.032 1.00 0.00 H
+ATOM 793 HG23 THR A 559 -9.064 0.101 7.774 1.00 0.00 H
+ATOM 794 N ILE A 560 -9.410 -2.780 6.194 1.00 0.00 N
+ATOM 795 CA ILE A 560 -9.837 -2.614 4.803 1.00 0.00 C
+ATOM 796 C ILE A 560 -11.215 -3.247 4.619 1.00 0.00 C
+ATOM 797 O ILE A 560 -12.174 -2.548 4.307 1.00 0.00 O
+ATOM 798 CB ILE A 560 -8.807 -3.207 3.815 1.00 0.00 C
+ATOM 799 CG1 ILE A 560 -7.459 -2.461 3.864 1.00 0.00 C
+ATOM 800 CG2 ILE A 560 -9.343 -3.144 2.372 1.00 0.00 C
+ATOM 801 CD1 ILE A 560 -6.328 -3.315 3.273 1.00 0.00 C
+ATOM 802 H ILE A 560 -8.494 -3.192 6.351 1.00 0.00 H
+ATOM 803 HA ILE A 560 -9.921 -1.547 4.596 1.00 0.00 H
+ATOM 804 HB ILE A 560 -8.641 -4.253 4.078 1.00 0.00 H
+ATOM 805 HG12 ILE A 560 -7.532 -1.524 3.316 1.00 0.00 H
+ATOM 806 HG13 ILE A 560 -7.205 -2.203 4.889 1.00 0.00 H
+ATOM 807 HG21 ILE A 560 -8.607 -3.531 1.670 1.00 0.00 H
+ATOM 808 HG22 ILE A 560 -10.239 -3.753 2.253 1.00 0.00 H
+ATOM 809 HG23 ILE A 560 -9.578 -2.113 2.097 1.00 0.00 H
+ATOM 810 HD11 ILE A 560 -6.287 -4.272 3.789 1.00 0.00 H
+ATOM 811 HD12 ILE A 560 -6.488 -3.500 2.211 1.00 0.00 H
+ATOM 812 HD13 ILE A 560 -5.378 -2.802 3.400 1.00 0.00 H
+ATOM 813 N GLN A 561 -11.341 -4.556 4.840 1.00 0.00 N
+ATOM 814 CA GLN A 561 -12.565 -5.269 4.516 1.00 0.00 C
+ATOM 815 C GLN A 561 -13.778 -4.704 5.285 1.00 0.00 C
+ATOM 816 O GLN A 561 -14.916 -4.886 4.853 1.00 0.00 O
+ATOM 817 CB GLN A 561 -12.413 -6.762 4.801 1.00 0.00 C
+ATOM 818 CG GLN A 561 -11.308 -7.483 4.008 1.00 0.00 C
+ATOM 819 CD GLN A 561 -11.475 -8.968 4.249 1.00 0.00 C
+ATOM 820 OE1 GLN A 561 -10.846 -9.558 5.121 1.00 0.00 O
+ATOM 821 NE2 GLN A 561 -12.324 -9.620 3.475 1.00 0.00 N
+ATOM 822 H GLN A 561 -10.554 -5.080 5.211 1.00 0.00 H
+ATOM 823 HA GLN A 561 -12.717 -5.164 3.442 1.00 0.00 H
+ATOM 824 HB2 GLN A 561 -12.224 -6.902 5.864 1.00 0.00 H
+ATOM 825 HB3 GLN A 561 -13.366 -7.237 4.572 1.00 0.00 H
+ATOM 826 HG2 GLN A 561 -11.347 -7.306 2.924 1.00 0.00 H
+ATOM 827 HG3 GLN A 561 -10.330 -7.169 4.365 1.00 0.00 H
+ATOM 828 HE21 GLN A 561 -12.913 -9.143 2.801 1.00 0.00 H
+ATOM 829 HE22 GLN A 561 -12.483 -10.589 3.731 1.00 0.00 H
+ATOM 830 N ARG A 562 -13.570 -4.019 6.421 1.00 0.00 N
+ATOM 831 CA ARG A 562 -14.619 -3.362 7.188 1.00 0.00 C
+ATOM 832 C ARG A 562 -14.967 -1.977 6.633 1.00 0.00 C
+ATOM 833 O ARG A 562 -16.137 -1.590 6.676 1.00 0.00 O
+ATOM 834 CB ARG A 562 -14.142 -3.297 8.644 1.00 0.00 C
+ATOM 835 CG ARG A 562 -15.234 -2.782 9.580 1.00 0.00 C
+ATOM 836 CD ARG A 562 -14.807 -2.975 11.032 1.00 0.00 C
+ATOM 837 NE ARG A 562 -15.909 -2.694 11.968 1.00 0.00 N
+ATOM 838 CZ ARG A 562 -15.826 -2.701 13.302 1.00 0.00 C
+ATOM 839 NH1 ARG A 562 -14.645 -2.698 13.911 1.00 0.00 N
+ATOM 840 NH2 ARG A 562 -16.935 -2.717 14.034 1.00 0.00 N
+ATOM 841 H ARG A 562 -12.631 -3.897 6.775 1.00 0.00 H
+ATOM 842 HA ARG A 562 -15.519 -3.976 7.141 1.00 0.00 H
+ATOM 843 HB2 ARG A 562 -13.862 -4.304 8.958 1.00 0.00 H
+ATOM 844 HB3 ARG A 562 -13.267 -2.651 8.729 1.00 0.00 H
+ATOM 845 HG2 ARG A 562 -15.386 -1.722 9.390 1.00 0.00 H
+ATOM 846 HG3 ARG A 562 -16.155 -3.335 9.398 1.00 0.00 H
+ATOM 847 HD2 ARG A 562 -14.492 -4.010 11.158 1.00 0.00 H
+ATOM 848 HD3 ARG A 562 -13.959 -2.328 11.233 1.00 0.00 H
+ATOM 849 HE ARG A 562 -16.832 -2.599 11.543 1.00 0.00 H
+ATOM 850 HH11 ARG A 562 -13.780 -2.542 13.402 1.00 0.00 H
+ATOM 851 HH12 ARG A 562 -14.557 -2.931 14.898 1.00 0.00 H
+ATOM 852 HH21 ARG A 562 -17.857 -2.798 13.601 1.00 0.00 H
+ATOM 853 HH22 ARG A 562 -16.928 -2.735 15.041 1.00 0.00 H
+ATOM 854 N LYS A 563 -13.984 -1.210 6.149 1.00 0.00 N
+ATOM 855 CA LYS A 563 -14.185 0.102 5.516 1.00 0.00 C
+ATOM 856 C LYS A 563 -14.874 -0.031 4.155 1.00 0.00 C
+ATOM 857 O LYS A 563 -15.551 0.897 3.703 1.00 0.00 O
+ATOM 858 CB LYS A 563 -12.817 0.793 5.350 1.00 0.00 C
+ATOM 859 CG LYS A 563 -12.944 2.279 4.970 1.00 0.00 C
+ATOM 860 CD LYS A 563 -11.636 3.056 5.168 1.00 0.00 C
+ATOM 861 CE LYS A 563 -11.752 4.439 4.520 1.00 0.00 C
+ATOM 862 NZ LYS A 563 -10.659 5.365 4.886 1.00 0.00 N
+ATOM 863 H LYS A 563 -13.042 -1.587 6.148 1.00 0.00 H
+ATOM 864 HA LYS A 563 -14.820 0.712 6.157 1.00 0.00 H
+ATOM 865 HB2 LYS A 563 -12.244 0.694 6.264 1.00 0.00 H
+ATOM 866 HB3 LYS A 563 -12.241 0.279 4.589 1.00 0.00 H
+ATOM 867 HG2 LYS A 563 -13.251 2.353 3.927 1.00 0.00 H
+ATOM 868 HG3 LYS A 563 -13.711 2.744 5.587 1.00 0.00 H
+ATOM 869 HD2 LYS A 563 -11.443 3.156 6.236 1.00 0.00 H
+ATOM 870 HD3 LYS A 563 -10.821 2.515 4.697 1.00 0.00 H
+ATOM 871 HE2 LYS A 563 -11.771 4.319 3.434 1.00 0.00 H
+ATOM 872 HE3 LYS A 563 -12.703 4.892 4.814 1.00 0.00 H
+ATOM 873 HZ1 LYS A 563 -10.799 6.254 4.409 1.00 0.00 H
+ATOM 874 HZ2 LYS A 563 -10.670 5.611 5.872 1.00 0.00 H
+ATOM 875 HZ3 LYS A 563 -9.754 5.038 4.604 1.00 0.00 H
+ATOM 876 N TYR A 564 -14.689 -1.178 3.507 1.00 0.00 N
+ATOM 877 CA TYR A 564 -15.138 -1.479 2.164 1.00 0.00 C
+ATOM 878 C TYR A 564 -15.912 -2.792 2.249 1.00 0.00 C
+ATOM 879 O TYR A 564 -15.369 -3.851 1.949 1.00 0.00 O
+ATOM 880 CB TYR A 564 -13.908 -1.558 1.243 1.00 0.00 C
+ATOM 881 CG TYR A 564 -13.041 -0.311 1.207 1.00 0.00 C
+ATOM 882 CD1 TYR A 564 -13.357 0.725 0.317 1.00 0.00 C
+ATOM 883 CD2 TYR A 564 -11.922 -0.178 2.053 1.00 0.00 C
+ATOM 884 CE1 TYR A 564 -12.575 1.892 0.289 1.00 0.00 C
+ATOM 885 CE2 TYR A 564 -11.147 0.991 2.051 1.00 0.00 C
+ATOM 886 CZ TYR A 564 -11.504 2.059 1.199 1.00 0.00 C
+ATOM 887 OH TYR A 564 -10.865 3.252 1.319 1.00 0.00 O
+ATOM 888 H TYR A 564 -14.064 -1.861 3.914 1.00 0.00 H
+ATOM 889 HA TYR A 564 -15.803 -0.698 1.797 1.00 0.00 H
+ATOM 890 HB2 TYR A 564 -13.283 -2.404 1.533 1.00 0.00 H
+ATOM 891 HB3 TYR A 564 -14.272 -1.746 0.239 1.00 0.00 H
+ATOM 892 HD1 TYR A 564 -14.209 0.635 -0.345 1.00 0.00 H
+ATOM 893 HD2 TYR A 564 -11.669 -0.936 2.766 1.00 0.00 H
+ATOM 894 HE1 TYR A 564 -12.837 2.663 -0.419 1.00 0.00 H
+ATOM 895 HE2 TYR A 564 -10.301 1.061 2.716 1.00 0.00 H
+ATOM 896 HH TYR A 564 -11.382 3.948 0.861 1.00 0.00 H
+ATOM 897 N LYS A 565 -17.137 -2.750 2.780 1.00 0.00 N
+ATOM 898 CA LYS A 565 -17.847 -3.935 3.236 1.00 0.00 C
+ATOM 899 C LYS A 565 -18.086 -4.964 2.131 1.00 0.00 C
+ATOM 900 O LYS A 565 -18.048 -4.664 0.940 1.00 0.00 O
+ATOM 901 CB LYS A 565 -19.113 -3.511 3.986 1.00 0.00 C
+ATOM 902 CG LYS A 565 -20.289 -3.275 3.038 1.00 0.00 C
+ATOM 903 CD LYS A 565 -21.616 -3.001 3.753 1.00 0.00 C
+ATOM 904 CE LYS A 565 -22.019 -4.229 4.576 1.00 0.00 C
+ATOM 905 NZ LYS A 565 -23.422 -4.174 5.010 1.00 0.00 N
+ATOM 906 H LYS A 565 -17.567 -1.857 3.001 1.00 0.00 H
+ATOM 907 HA LYS A 565 -17.225 -4.415 3.967 1.00 0.00 H
+ATOM 908 HB2 LYS A 565 -19.354 -4.308 4.678 1.00 0.00 H
+ATOM 909 HB3 LYS A 565 -18.922 -2.610 4.570 1.00 0.00 H
+ATOM 910 HG2 LYS A 565 -20.047 -2.447 2.376 1.00 0.00 H
+ATOM 911 HG3 LYS A 565 -20.406 -4.169 2.437 1.00 0.00 H
+ATOM 912 HD2 LYS A 565 -21.521 -2.123 4.395 1.00 0.00 H
+ATOM 913 HD3 LYS A 565 -22.377 -2.811 2.996 1.00 0.00 H
+ATOM 914 HE2 LYS A 565 -21.882 -5.124 3.965 1.00 0.00 H
+ATOM 915 HE3 LYS A 565 -21.375 -4.300 5.454 1.00 0.00 H
+ATOM 916 HZ1 LYS A 565 -23.604 -3.341 5.560 1.00 0.00 H
+ATOM 917 HZ2 LYS A 565 -24.056 -4.203 4.213 1.00 0.00 H
+ATOM 918 HZ3 LYS A 565 -23.627 -4.961 5.620 1.00 0.00 H
+ATOM 919 N GLY A 566 -18.425 -6.188 2.535 1.00 0.00 N
+ATOM 920 CA GLY A 566 -18.905 -7.233 1.639 1.00 0.00 C
+ATOM 921 C GLY A 566 -17.782 -7.970 0.915 1.00 0.00 C
+ATOM 922 O GLY A 566 -17.978 -9.098 0.465 1.00 0.00 O
+ATOM 923 H GLY A 566 -18.444 -6.389 3.522 1.00 0.00 H
+ATOM 924 HA2 GLY A 566 -19.481 -7.948 2.220 1.00 0.00 H
+ATOM 925 HA3 GLY A 566 -19.569 -6.791 0.893 1.00 0.00 H
+ATOM 926 N ILE A 567 -16.600 -7.374 0.803 1.00 0.00 N
+ATOM 927 CA ILE A 567 -15.404 -7.999 0.263 1.00 0.00 C
+ATOM 928 C ILE A 567 -14.971 -9.158 1.184 1.00 0.00 C
+ATOM 929 O ILE A 567 -15.062 -9.035 2.412 1.00 0.00 O
+ATOM 930 CB ILE A 567 -14.363 -6.873 0.130 1.00 0.00 C
+ATOM 931 CG1 ILE A 567 -13.194 -7.271 -0.772 1.00 0.00 C
+ATOM 932 CG2 ILE A 567 -13.863 -6.383 1.492 1.00 0.00 C
+ATOM 933 CD1 ILE A 567 -12.047 -6.257 -0.727 1.00 0.00 C
+ATOM 934 H ILE A 567 -16.508 -6.422 1.132 1.00 0.00 H
+ATOM 935 HA ILE A 567 -15.633 -8.387 -0.728 1.00 0.00 H
+ATOM 936 HB ILE A 567 -14.850 -6.031 -0.349 1.00 0.00 H
+ATOM 937 HG12 ILE A 567 -12.806 -8.228 -0.449 1.00 0.00 H
+ATOM 938 HG13 ILE A 567 -13.553 -7.370 -1.797 1.00 0.00 H
+ATOM 939 HG21 ILE A 567 -13.179 -7.110 1.902 1.00 0.00 H
+ATOM 940 HG22 ILE A 567 -13.361 -5.421 1.356 1.00 0.00 H
+ATOM 941 HG23 ILE A 567 -14.687 -6.239 2.188 1.00 0.00 H
+ATOM 942 HD11 ILE A 567 -11.443 -6.432 0.169 1.00 0.00 H
+ATOM 943 HD12 ILE A 567 -11.422 -6.357 -1.610 1.00 0.00 H
+ATOM 944 HD13 ILE A 567 -12.447 -5.245 -0.696 1.00 0.00 H
+ATOM 945 N LYS A 568 -14.439 -10.267 0.649 1.00 0.00 N
+ATOM 946 CA LYS A 568 -14.119 -11.455 1.464 1.00 0.00 C
+ATOM 947 C LYS A 568 -12.752 -12.070 1.129 1.00 0.00 C
+ATOM 948 O LYS A 568 -12.598 -13.284 1.147 1.00 0.00 O
+ATOM 949 CB LYS A 568 -15.302 -12.443 1.363 1.00 0.00 C
+ATOM 950 CG LYS A 568 -15.289 -13.521 2.465 1.00 0.00 C
+ATOM 951 CD LYS A 568 -16.699 -13.820 2.982 1.00 0.00 C
+ATOM 952 CE LYS A 568 -16.669 -14.949 4.016 1.00 0.00 C
+ATOM 953 NZ LYS A 568 -17.874 -14.935 4.872 1.00 0.00 N
+ATOM 954 H LYS A 568 -14.422 -10.347 -0.362 1.00 0.00 H
+ATOM 955 HA LYS A 568 -14.059 -11.157 2.505 1.00 0.00 H
+ATOM 956 HB2 LYS A 568 -16.228 -11.870 1.447 1.00 0.00 H
+ATOM 957 HB3 LYS A 568 -15.298 -12.926 0.385 1.00 0.00 H
+ATOM 958 HG2 LYS A 568 -14.850 -14.434 2.063 1.00 0.00 H
+ATOM 959 HG3 LYS A 568 -14.684 -13.182 3.307 1.00 0.00 H
+ATOM 960 HD2 LYS A 568 -17.104 -12.912 3.431 1.00 0.00 H
+ATOM 961 HD3 LYS A 568 -17.334 -14.123 2.150 1.00 0.00 H
+ATOM 962 HE2 LYS A 568 -16.590 -15.903 3.490 1.00 0.00 H
+ATOM 963 HE3 LYS A 568 -15.787 -14.833 4.647 1.00 0.00 H
+ATOM 964 HZ1 LYS A 568 -18.718 -14.757 4.336 1.00 0.00 H
+ATOM 965 HZ2 LYS A 568 -18.010 -15.814 5.362 1.00 0.00 H
+ATOM 966 HZ3 LYS A 568 -17.794 -14.235 5.602 1.00 0.00 H
+ATOM 967 N ILE A 569 -11.737 -11.217 0.968 1.00 0.00 N
+ATOM 968 CA ILE A 569 -10.388 -11.468 0.453 1.00 0.00 C
+ATOM 969 C ILE A 569 -10.395 -12.204 -0.888 1.00 0.00 C
+ATOM 970 O ILE A 569 -11.237 -13.052 -1.181 1.00 0.00 O
+ATOM 971 CB ILE A 569 -9.439 -12.078 1.511 1.00 0.00 C
+ATOM 972 CG1 ILE A 569 -9.341 -11.214 2.782 1.00 0.00 C
+ATOM 973 CG2 ILE A 569 -8.009 -12.233 0.966 1.00 0.00 C
+ATOM 974 CD1 ILE A 569 -9.012 -9.731 2.523 1.00 0.00 C
+ATOM 975 H ILE A 569 -11.941 -10.263 1.188 1.00 0.00 H
+ATOM 976 HA ILE A 569 -9.978 -10.487 0.230 1.00 0.00 H
+ATOM 977 HB ILE A 569 -9.817 -13.060 1.792 1.00 0.00 H
+ATOM 978 HG12 ILE A 569 -10.281 -11.298 3.317 1.00 0.00 H
+ATOM 979 HG13 ILE A 569 -8.576 -11.628 3.441 1.00 0.00 H
+ATOM 980 HG21 ILE A 569 -7.664 -11.294 0.528 1.00 0.00 H
+ATOM 981 HG22 ILE A 569 -7.327 -12.535 1.761 1.00 0.00 H
+ATOM 982 HG23 ILE A 569 -7.977 -13.009 0.202 1.00 0.00 H
+ATOM 983 HD11 ILE A 569 -8.121 -9.633 1.912 1.00 0.00 H
+ATOM 984 HD12 ILE A 569 -9.841 -9.216 2.034 1.00 0.00 H
+ATOM 985 HD13 ILE A 569 -8.831 -9.233 3.469 1.00 0.00 H
+ATOM 986 N GLN A 570 -9.450 -11.800 -1.726 1.00 0.00 N
+ATOM 987 CA GLN A 570 -9.250 -12.214 -3.096 1.00 0.00 C
+ATOM 988 C GLN A 570 -7.734 -12.320 -3.283 1.00 0.00 C
+ATOM 989 O GLN A 570 -6.985 -12.107 -2.328 1.00 0.00 O
+ATOM 990 CB GLN A 570 -9.856 -11.168 -4.046 1.00 0.00 C
+ATOM 991 CG GLN A 570 -11.214 -10.578 -3.621 1.00 0.00 C
+ATOM 992 CD GLN A 570 -11.110 -9.151 -3.096 1.00 0.00 C
+ATOM 993 OE1 GLN A 570 -11.342 -8.232 -3.870 1.00 0.00 O
+ATOM 994 NE2 GLN A 570 -10.805 -8.875 -1.824 1.00 0.00 N
+ATOM 995 H GLN A 570 -8.662 -11.263 -1.387 1.00 0.00 H
+ATOM 996 HA GLN A 570 -9.713 -13.183 -3.268 1.00 0.00 H
+ATOM 997 HB2 GLN A 570 -9.143 -10.357 -4.154 1.00 0.00 H
+ATOM 998 HB3 GLN A 570 -9.964 -11.624 -5.030 1.00 0.00 H
+ATOM 999 HG2 GLN A 570 -11.842 -10.543 -4.506 1.00 0.00 H
+ATOM 1000 HG3 GLN A 570 -11.726 -11.206 -2.910 1.00 0.00 H
+ATOM 1001 HE21 GLN A 570 -10.796 -9.470 -1.007 1.00 0.00 H
+ATOM 1002 HE22 GLN A 570 -10.684 -7.877 -1.705 1.00 0.00 H
+ATOM 1003 N GLU A 571 -7.275 -12.559 -4.502 1.00 0.00 N
+ATOM 1004 CA GLU A 571 -5.887 -12.353 -4.886 1.00 0.00 C
+ATOM 1005 C GLU A 571 -5.866 -11.321 -6.012 1.00 0.00 C
+ATOM 1006 O GLU A 571 -6.923 -10.974 -6.551 1.00 0.00 O
+ATOM 1007 CB GLU A 571 -5.283 -13.690 -5.334 1.00 0.00 C
+ATOM 1008 CG GLU A 571 -3.839 -13.869 -4.870 1.00 0.00 C
+ATOM 1009 CD GLU A 571 -3.244 -15.148 -5.461 1.00 0.00 C
+ATOM 1010 OE1 GLU A 571 -3.798 -16.238 -5.179 1.00 0.00 O
+ATOM 1011 OE2 GLU A 571 -2.241 -15.052 -6.196 1.00 0.00 O
+ATOM 1012 H GLU A 571 -7.919 -12.629 -5.278 1.00 0.00 H
+ATOM 1013 HA GLU A 571 -5.320 -11.961 -4.040 1.00 0.00 H
+ATOM 1014 HB2 GLU A 571 -5.870 -14.508 -4.918 1.00 0.00 H
+ATOM 1015 HB3 GLU A 571 -5.321 -13.763 -6.418 1.00 0.00 H
+ATOM 1016 HG2 GLU A 571 -3.235 -12.995 -5.139 1.00 0.00 H
+ATOM 1017 HG3 GLU A 571 -3.842 -13.948 -3.785 1.00 0.00 H
+ATOM 1018 N GLY A 572 -4.676 -10.875 -6.407 1.00 0.00 N
+ATOM 1019 CA GLY A 572 -4.536 -10.111 -7.635 1.00 0.00 C
+ATOM 1020 C GLY A 572 -4.875 -8.646 -7.456 1.00 0.00 C
+ATOM 1021 O GLY A 572 -4.879 -8.108 -6.348 1.00 0.00 O
+ATOM 1022 H GLY A 572 -3.852 -11.106 -5.862 1.00 0.00 H
+ATOM 1023 HA2 GLY A 572 -3.522 -10.165 -8.015 1.00 0.00 H
+ATOM 1024 HA3 GLY A 572 -5.202 -10.541 -8.380 1.00 0.00 H
+ATOM 1025 N ILE A 573 -5.060 -7.965 -8.580 1.00 0.00 N
+ATOM 1026 CA ILE A 573 -5.449 -6.568 -8.618 1.00 0.00 C
+ATOM 1027 C ILE A 573 -6.888 -6.492 -8.107 1.00 0.00 C
+ATOM 1028 O ILE A 573 -7.838 -6.852 -8.804 1.00 0.00 O
+ATOM 1029 CB ILE A 573 -5.222 -6.008 -10.032 1.00 0.00 C
+ATOM 1030 CG1 ILE A 573 -3.696 -5.882 -10.257 1.00 0.00 C
+ATOM 1031 CG2 ILE A 573 -5.923 -4.646 -10.199 1.00 0.00 C
+ATOM 1032 CD1 ILE A 573 -3.284 -5.523 -11.685 1.00 0.00 C
+ATOM 1033 H ILE A 573 -5.083 -8.486 -9.451 1.00 0.00 H
+ATOM 1034 HA ILE A 573 -4.810 -6.007 -7.939 1.00 0.00 H
+ATOM 1035 HB ILE A 573 -5.625 -6.728 -10.746 1.00 0.00 H
+ATOM 1036 HG12 ILE A 573 -3.285 -5.136 -9.574 1.00 0.00 H
+ATOM 1037 HG13 ILE A 573 -3.224 -6.836 -10.029 1.00 0.00 H
+ATOM 1038 HG21 ILE A 573 -5.539 -3.938 -9.463 1.00 0.00 H
+ATOM 1039 HG22 ILE A 573 -5.766 -4.258 -11.204 1.00 0.00 H
+ATOM 1040 HG23 ILE A 573 -6.999 -4.758 -10.046 1.00 0.00 H
+ATOM 1041 HD11 ILE A 573 -3.595 -4.506 -11.924 1.00 0.00 H
+ATOM 1042 HD12 ILE A 573 -2.197 -5.592 -11.770 1.00 0.00 H
+ATOM 1043 HD13 ILE A 573 -3.739 -6.224 -12.384 1.00 0.00 H
+ATOM 1044 N VAL A 574 -7.035 -6.023 -6.874 1.00 0.00 N
+ATOM 1045 CA VAL A 574 -8.302 -5.891 -6.193 1.00 0.00 C
+ATOM 1046 C VAL A 574 -8.778 -4.460 -6.364 1.00 0.00 C
+ATOM 1047 O VAL A 574 -8.469 -3.557 -5.599 1.00 0.00 O
+ATOM 1048 CB VAL A 574 -8.168 -6.393 -4.734 1.00 0.00 C
+ATOM 1049 CG1 VAL A 574 -9.307 -5.923 -3.817 1.00 0.00 C
+ATOM 1050 CG2 VAL A 574 -8.099 -7.925 -4.698 1.00 0.00 C
+ATOM 1051 H VAL A 574 -6.211 -5.658 -6.413 1.00 0.00 H
+ATOM 1052 HA VAL A 574 -9.028 -6.496 -6.736 1.00 0.00 H
+ATOM 1053 HB VAL A 574 -7.232 -6.030 -4.314 1.00 0.00 H
+ATOM 1054 HG11 VAL A 574 -10.263 -6.084 -4.307 1.00 0.00 H
+ATOM 1055 HG12 VAL A 574 -9.275 -6.455 -2.868 1.00 0.00 H
+ATOM 1056 HG13 VAL A 574 -9.210 -4.862 -3.598 1.00 0.00 H
+ATOM 1057 HG21 VAL A 574 -8.955 -8.358 -5.214 1.00 0.00 H
+ATOM 1058 HG22 VAL A 574 -7.178 -8.259 -5.176 1.00 0.00 H
+ATOM 1059 HG23 VAL A 574 -8.099 -8.279 -3.666 1.00 0.00 H
+ATOM 1060 N ASP A 575 -9.568 -4.252 -7.403 1.00 0.00 N
+ATOM 1061 CA ASP A 575 -10.452 -3.106 -7.489 1.00 0.00 C
+ATOM 1062 C ASP A 575 -11.573 -3.297 -6.465 1.00 0.00 C
+ATOM 1063 O ASP A 575 -12.542 -4.015 -6.744 1.00 0.00 O
+ATOM 1064 CB ASP A 575 -10.974 -3.022 -8.919 1.00 0.00 C
+ATOM 1065 CG ASP A 575 -12.092 -1.991 -9.073 1.00 0.00 C
+ATOM 1066 OD1 ASP A 575 -12.110 -0.983 -8.328 1.00 0.00 O
+ATOM 1067 OD2 ASP A 575 -12.992 -2.238 -9.908 1.00 0.00 O
+ATOM 1068 H ASP A 575 -9.747 -5.049 -7.997 1.00 0.00 H
+ATOM 1069 HA ASP A 575 -9.912 -2.186 -7.260 1.00 0.00 H
+ATOM 1070 HB2 ASP A 575 -10.125 -2.796 -9.561 1.00 0.00 H
+ATOM 1071 HB3 ASP A 575 -11.365 -3.994 -9.217 1.00 0.00 H
+ATOM 1072 N TYR A 576 -11.413 -2.757 -5.254 1.00 0.00 N
+ATOM 1073 CA TYR A 576 -12.473 -2.723 -4.255 1.00 0.00 C
+ATOM 1074 C TYR A 576 -12.311 -1.450 -3.420 1.00 0.00 C
+ATOM 1075 O TYR A 576 -11.667 -1.449 -2.367 1.00 0.00 O
+ATOM 1076 CB TYR A 576 -12.552 -4.034 -3.436 1.00 0.00 C
+ATOM 1077 CG TYR A 576 -13.958 -4.362 -2.975 1.00 0.00 C
+ATOM 1078 CD1 TYR A 576 -14.592 -3.548 -2.021 1.00 0.00 C
+ATOM 1079 CD2 TYR A 576 -14.639 -5.478 -3.493 1.00 0.00 C
+ATOM 1080 CE1 TYR A 576 -15.891 -3.846 -1.574 1.00 0.00 C
+ATOM 1081 CE2 TYR A 576 -15.950 -5.767 -3.079 1.00 0.00 C
+ATOM 1082 CZ TYR A 576 -16.581 -4.956 -2.109 1.00 0.00 C
+ATOM 1083 OH TYR A 576 -17.841 -5.260 -1.693 1.00 0.00 O
+ATOM 1084 H TYR A 576 -10.567 -2.227 -5.058 1.00 0.00 H
+ATOM 1085 HA TYR A 576 -13.415 -2.640 -4.798 1.00 0.00 H
+ATOM 1086 HB2 TYR A 576 -12.209 -4.855 -4.063 1.00 0.00 H
+ATOM 1087 HB3 TYR A 576 -11.910 -4.022 -2.552 1.00 0.00 H
+ATOM 1088 HD1 TYR A 576 -14.069 -2.692 -1.629 1.00 0.00 H
+ATOM 1089 HD2 TYR A 576 -14.148 -6.128 -4.206 1.00 0.00 H
+ATOM 1090 HE1 TYR A 576 -16.361 -3.223 -0.825 1.00 0.00 H
+ATOM 1091 HE2 TYR A 576 -16.460 -6.623 -3.494 1.00 0.00 H
+ATOM 1092 HH TYR A 576 -18.065 -4.756 -0.884 1.00 0.00 H
+ATOM 1093 N GLY A 577 -12.894 -0.354 -3.912 1.00 0.00 N
+ATOM 1094 CA GLY A 577 -12.899 0.949 -3.266 1.00 0.00 C
+ATOM 1095 C GLY A 577 -11.619 1.700 -3.578 1.00 0.00 C
+ATOM 1096 O GLY A 577 -11.615 2.601 -4.419 1.00 0.00 O
+ATOM 1097 H GLY A 577 -13.405 -0.432 -4.783 1.00 0.00 H
+ATOM 1098 HA2 GLY A 577 -13.754 1.533 -3.602 1.00 0.00 H
+ATOM 1099 HA3 GLY A 577 -12.980 0.813 -2.194 1.00 0.00 H
+ATOM 1100 N VAL A 578 -10.535 1.314 -2.912 1.00 0.00 N
+ATOM 1101 CA VAL A 578 -9.177 1.616 -3.341 1.00 0.00 C
+ATOM 1102 C VAL A 578 -8.795 0.552 -4.367 1.00 0.00 C
+ATOM 1103 O VAL A 578 -9.242 -0.598 -4.298 1.00 0.00 O
+ATOM 1104 CB VAL A 578 -8.237 1.627 -2.115 1.00 0.00 C
+ATOM 1105 CG1 VAL A 578 -6.741 1.528 -2.436 1.00 0.00 C
+ATOM 1106 CG2 VAL A 578 -8.479 2.873 -1.266 1.00 0.00 C
+ATOM 1107 H VAL A 578 -10.635 0.472 -2.355 1.00 0.00 H
+ATOM 1108 HA VAL A 578 -9.140 2.589 -3.835 1.00 0.00 H
+ATOM 1109 HB VAL A 578 -8.490 0.786 -1.487 1.00 0.00 H
+ATOM 1110 HG11 VAL A 578 -6.467 2.239 -3.216 1.00 0.00 H
+ATOM 1111 HG12 VAL A 578 -6.151 1.714 -1.540 1.00 0.00 H
+ATOM 1112 HG13 VAL A 578 -6.512 0.517 -2.768 1.00 0.00 H
+ATOM 1113 HG21 VAL A 578 -8.335 3.769 -1.866 1.00 0.00 H
+ATOM 1114 HG22 VAL A 578 -9.496 2.835 -0.890 1.00 0.00 H
+ATOM 1115 HG23 VAL A 578 -7.804 2.895 -0.411 1.00 0.00 H
+ATOM 1116 N ARG A 579 -7.931 0.934 -5.302 1.00 0.00 N
+ATOM 1117 CA ARG A 579 -7.245 -0.007 -6.156 1.00 0.00 C
+ATOM 1118 C ARG A 579 -6.155 -0.668 -5.328 1.00 0.00 C
+ATOM 1119 O ARG A 579 -5.184 -0.014 -4.942 1.00 0.00 O
+ATOM 1120 CB ARG A 579 -6.680 0.728 -7.371 1.00 0.00 C
+ATOM 1121 CG ARG A 579 -6.399 -0.265 -8.502 1.00 0.00 C
+ATOM 1122 CD ARG A 579 -7.704 -0.716 -9.174 1.00 0.00 C
+ATOM 1123 NE ARG A 579 -7.546 -0.840 -10.623 1.00 0.00 N
+ATOM 1124 CZ ARG A 579 -7.397 0.177 -11.477 1.00 0.00 C
+ATOM 1125 NH1 ARG A 579 -7.351 1.434 -11.051 1.00 0.00 N
+ATOM 1126 NH2 ARG A 579 -7.280 -0.082 -12.769 1.00 0.00 N
+ATOM 1127 H ARG A 579 -7.658 1.906 -5.344 1.00 0.00 H
+ATOM 1128 HA ARG A 579 -7.972 -0.756 -6.476 1.00 0.00 H
+ATOM 1129 HB2 ARG A 579 -7.394 1.483 -7.707 1.00 0.00 H
+ATOM 1130 HB3 ARG A 579 -5.759 1.246 -7.105 1.00 0.00 H
+ATOM 1131 HG2 ARG A 579 -5.741 0.222 -9.222 1.00 0.00 H
+ATOM 1132 HG3 ARG A 579 -5.889 -1.147 -8.119 1.00 0.00 H
+ATOM 1133 HD2 ARG A 579 -8.006 -1.678 -8.759 1.00 0.00 H
+ATOM 1134 HD3 ARG A 579 -8.502 0.000 -8.980 1.00 0.00 H
+ATOM 1135 HE ARG A 579 -7.592 -1.782 -11.014 1.00 0.00 H
+ATOM 1136 HH11 ARG A 579 -7.508 1.669 -10.087 1.00 0.00 H
+ATOM 1137 HH12 ARG A 579 -7.123 2.209 -11.676 1.00 0.00 H
+ATOM 1138 HH21 ARG A 579 -7.453 -1.032 -13.091 1.00 0.00 H
+ATOM 1139 HH22 ARG A 579 -7.269 0.683 -13.434 1.00 0.00 H
+ATOM 1140 N PHE A 580 -6.315 -1.946 -5.033 1.00 0.00 N
+ATOM 1141 CA PHE A 580 -5.366 -2.758 -4.303 1.00 0.00 C
+ATOM 1142 C PHE A 580 -4.662 -3.735 -5.248 1.00 0.00 C
+ATOM 1143 O PHE A 580 -5.099 -3.953 -6.377 1.00 0.00 O
+ATOM 1144 CB PHE A 580 -6.112 -3.503 -3.194 1.00 0.00 C
+ATOM 1145 CG PHE A 580 -6.597 -2.647 -2.045 1.00 0.00 C
+ATOM 1146 CD1 PHE A 580 -5.673 -2.242 -1.078 1.00 0.00 C
+ATOM 1147 CD2 PHE A 580 -7.950 -2.294 -1.900 1.00 0.00 C
+ATOM 1148 CE1 PHE A 580 -6.084 -1.511 0.045 1.00 0.00 C
+ATOM 1149 CE2 PHE A 580 -8.369 -1.569 -0.766 1.00 0.00 C
+ATOM 1150 CZ PHE A 580 -7.431 -1.157 0.201 1.00 0.00 C
+ATOM 1151 H PHE A 580 -7.142 -2.428 -5.364 1.00 0.00 H
+ATOM 1152 HA PHE A 580 -4.623 -2.110 -3.850 1.00 0.00 H
+ATOM 1153 HB2 PHE A 580 -6.963 -4.018 -3.620 1.00 0.00 H
+ATOM 1154 HB3 PHE A 580 -5.449 -4.264 -2.788 1.00 0.00 H
+ATOM 1155 HD1 PHE A 580 -4.636 -2.489 -1.227 1.00 0.00 H
+ATOM 1156 HD2 PHE A 580 -8.665 -2.563 -2.667 1.00 0.00 H
+ATOM 1157 HE1 PHE A 580 -5.355 -1.210 0.776 1.00 0.00 H
+ATOM 1158 HE2 PHE A 580 -9.408 -1.281 -0.673 1.00 0.00 H
+ATOM 1159 HZ PHE A 580 -7.717 -0.546 1.048 1.00 0.00 H
+ATOM 1160 N PHE A 581 -3.603 -4.378 -4.761 1.00 0.00 N
+ATOM 1161 CA PHE A 581 -2.903 -5.483 -5.392 1.00 0.00 C
+ATOM 1162 C PHE A 581 -2.516 -6.441 -4.268 1.00 0.00 C
+ATOM 1163 O PHE A 581 -1.653 -6.116 -3.452 1.00 0.00 O
+ATOM 1164 CB PHE A 581 -1.683 -4.989 -6.178 1.00 0.00 C
+ATOM 1165 CG PHE A 581 -0.742 -6.102 -6.598 1.00 0.00 C
+ATOM 1166 CD1 PHE A 581 -1.151 -7.045 -7.557 1.00 0.00 C
+ATOM 1167 CD2 PHE A 581 0.525 -6.224 -5.997 1.00 0.00 C
+ATOM 1168 CE1 PHE A 581 -0.304 -8.110 -7.904 1.00 0.00 C
+ATOM 1169 CE2 PHE A 581 1.379 -7.281 -6.355 1.00 0.00 C
+ATOM 1170 CZ PHE A 581 0.952 -8.242 -7.286 1.00 0.00 C
+ATOM 1171 H PHE A 581 -3.316 -4.160 -3.817 1.00 0.00 H
+ATOM 1172 HA PHE A 581 -3.573 -5.976 -6.091 1.00 0.00 H
+ATOM 1173 HB2 PHE A 581 -2.027 -4.474 -7.074 1.00 0.00 H
+ATOM 1174 HB3 PHE A 581 -1.139 -4.274 -5.565 1.00 0.00 H
+ATOM 1175 HD1 PHE A 581 -2.127 -6.972 -8.013 1.00 0.00 H
+ATOM 1176 HD2 PHE A 581 0.833 -5.519 -5.241 1.00 0.00 H
+ATOM 1177 HE1 PHE A 581 -0.631 -8.832 -8.639 1.00 0.00 H
+ATOM 1178 HE2 PHE A 581 2.349 -7.381 -5.889 1.00 0.00 H
+ATOM 1179 HZ PHE A 581 1.589 -9.083 -7.526 1.00 0.00 H
+ATOM 1180 N PHE A 582 -3.215 -7.566 -4.164 1.00 0.00 N
+ATOM 1181 CA PHE A 582 -3.060 -8.565 -3.120 1.00 0.00 C
+ATOM 1182 C PHE A 582 -2.061 -9.622 -3.594 1.00 0.00 C
+ATOM 1183 O PHE A 582 -2.390 -10.457 -4.442 1.00 0.00 O
+ATOM 1184 CB PHE A 582 -4.443 -9.137 -2.751 1.00 0.00 C
+ATOM 1185 CG PHE A 582 -5.366 -8.232 -1.933 1.00 0.00 C
+ATOM 1186 CD1 PHE A 582 -5.022 -6.906 -1.592 1.00 0.00 C
+ATOM 1187 CD2 PHE A 582 -6.605 -8.738 -1.498 1.00 0.00 C
+ATOM 1188 CE1 PHE A 582 -5.896 -6.114 -0.828 1.00 0.00 C
+ATOM 1189 CE2 PHE A 582 -7.492 -7.935 -0.756 1.00 0.00 C
+ATOM 1190 CZ PHE A 582 -7.134 -6.620 -0.415 1.00 0.00 C
+ATOM 1191 H PHE A 582 -3.889 -7.780 -4.890 1.00 0.00 H
+ATOM 1192 HA PHE A 582 -2.652 -8.101 -2.228 1.00 0.00 H
+ATOM 1193 HB2 PHE A 582 -4.962 -9.424 -3.666 1.00 0.00 H
+ATOM 1194 HB3 PHE A 582 -4.294 -10.049 -2.175 1.00 0.00 H
+ATOM 1195 HD1 PHE A 582 -4.087 -6.472 -1.909 1.00 0.00 H
+ATOM 1196 HD2 PHE A 582 -6.883 -9.745 -1.762 1.00 0.00 H
+ATOM 1197 HE1 PHE A 582 -5.624 -5.103 -0.566 1.00 0.00 H
+ATOM 1198 HE2 PHE A 582 -8.449 -8.331 -0.463 1.00 0.00 H
+ATOM 1199 HZ PHE A 582 -7.791 -5.986 0.163 1.00 0.00 H
+ATOM 1200 N TYR A 583 -0.856 -9.612 -3.018 1.00 0.00 N
+ATOM 1201 CA TYR A 583 0.253 -10.535 -3.272 1.00 0.00 C
+ATOM 1202 C TYR A 583 0.495 -11.414 -2.042 1.00 0.00 C
+ATOM 1203 O TYR A 583 0.239 -10.984 -0.911 1.00 0.00 O
+ATOM 1204 CB TYR A 583 1.524 -9.747 -3.611 1.00 0.00 C
+ATOM 1205 CG TYR A 583 2.097 -8.946 -2.451 1.00 0.00 C
+ATOM 1206 CD1 TYR A 583 2.957 -9.566 -1.522 1.00 0.00 C
+ATOM 1207 CD2 TYR A 583 1.733 -7.598 -2.268 1.00 0.00 C
+ATOM 1208 CE1 TYR A 583 3.459 -8.853 -0.422 1.00 0.00 C
+ATOM 1209 CE2 TYR A 583 2.217 -6.883 -1.157 1.00 0.00 C
+ATOM 1210 CZ TYR A 583 3.081 -7.508 -0.231 1.00 0.00 C
+ATOM 1211 OH TYR A 583 3.520 -6.831 0.864 1.00 0.00 O
+ATOM 1212 H TYR A 583 -0.753 -8.995 -2.227 1.00 0.00 H
+ATOM 1213 HA TYR A 583 -0.009 -11.175 -4.116 1.00 0.00 H
+ATOM 1214 HB2 TYR A 583 2.280 -10.451 -3.960 1.00 0.00 H
+ATOM 1215 HB3 TYR A 583 1.303 -9.078 -4.438 1.00 0.00 H
+ATOM 1216 HD1 TYR A 583 3.237 -10.602 -1.653 1.00 0.00 H
+ATOM 1217 HD2 TYR A 583 1.040 -7.124 -2.951 1.00 0.00 H
+ATOM 1218 HE1 TYR A 583 4.110 -9.351 0.280 1.00 0.00 H
+ATOM 1219 HE2 TYR A 583 1.894 -5.868 -0.992 1.00 0.00 H
+ATOM 1220 HH TYR A 583 3.892 -7.413 1.537 1.00 0.00 H
+ATOM 1221 N THR A 584 0.957 -12.649 -2.235 1.00 0.00 N
+ATOM 1222 CA THR A 584 0.883 -13.640 -1.170 1.00 0.00 C
+ATOM 1223 C THR A 584 1.995 -13.439 -0.133 1.00 0.00 C
+ATOM 1224 O THR A 584 3.009 -12.782 -0.380 1.00 0.00 O
+ATOM 1225 CB THR A 584 0.888 -15.060 -1.768 1.00 0.00 C
+ATOM 1226 OG1 THR A 584 2.070 -15.300 -2.496 1.00 0.00 O
+ATOM 1227 CG2 THR A 584 -0.326 -15.342 -2.661 1.00 0.00 C
+ATOM 1228 H THR A 584 1.228 -12.962 -3.155 1.00 0.00 H
+ATOM 1229 HA THR A 584 -0.068 -13.507 -0.655 1.00 0.00 H
+ATOM 1230 HB THR A 584 0.856 -15.771 -0.943 1.00 0.00 H
+ATOM 1231 HG1 THR A 584 1.876 -15.219 -3.453 1.00 0.00 H
+ATOM 1232 HG21 THR A 584 -0.337 -14.675 -3.524 1.00 0.00 H
+ATOM 1233 HG22 THR A 584 -0.284 -16.368 -3.027 1.00 0.00 H
+ATOM 1234 HG23 THR A 584 -1.246 -15.198 -2.093 1.00 0.00 H
+ATOM 1235 N SER A 585 1.854 -14.099 1.016 1.00 0.00 N
+ATOM 1236 CA SER A 585 2.944 -14.396 1.934 1.00 0.00 C
+ATOM 1237 C SER A 585 4.134 -15.045 1.208 1.00 0.00 C
+ATOM 1238 O SER A 585 5.283 -14.804 1.576 1.00 0.00 O
+ATOM 1239 CB SER A 585 2.412 -15.294 3.070 1.00 0.00 C
+ATOM 1240 OG SER A 585 1.117 -15.833 2.799 1.00 0.00 O
+ATOM 1241 H SER A 585 0.997 -14.582 1.248 1.00 0.00 H
+ATOM 1242 HA SER A 585 3.284 -13.465 2.383 1.00 0.00 H
+ATOM 1243 HB2 SER A 585 3.109 -16.112 3.256 1.00 0.00 H
+ATOM 1244 HB3 SER A 585 2.355 -14.691 3.975 1.00 0.00 H
+ATOM 1245 HG SER A 585 0.690 -15.995 3.673 1.00 0.00 H
+ATOM 1246 N LYS A 586 3.870 -15.864 0.184 1.00 0.00 N
+ATOM 1247 CA LYS A 586 4.865 -16.694 -0.457 1.00 0.00 C
+ATOM 1248 C LYS A 586 5.631 -15.993 -1.573 1.00 0.00 C
+ATOM 1249 O LYS A 586 6.676 -16.514 -1.962 1.00 0.00 O
+ATOM 1250 CB LYS A 586 4.142 -17.952 -0.975 1.00 0.00 C
+ATOM 1251 CG LYS A 586 4.979 -19.222 -0.817 1.00 0.00 C
+ATOM 1252 CD LYS A 586 4.928 -19.856 0.583 1.00 0.00 C
+ATOM 1253 CE LYS A 586 5.591 -18.995 1.665 1.00 0.00 C
+ATOM 1254 NZ LYS A 586 5.707 -19.684 2.963 1.00 0.00 N
+ATOM 1255 H LYS A 586 2.927 -16.011 -0.145 1.00 0.00 H
+ATOM 1256 HA LYS A 586 5.616 -16.954 0.284 1.00 0.00 H
+ATOM 1257 HB2 LYS A 586 3.192 -18.105 -0.458 1.00 0.00 H
+ATOM 1258 HB3 LYS A 586 3.909 -17.811 -2.033 1.00 0.00 H
+ATOM 1259 HG2 LYS A 586 4.581 -19.950 -1.520 1.00 0.00 H
+ATOM 1260 HG3 LYS A 586 6.009 -19.008 -1.093 1.00 0.00 H
+ATOM 1261 HD2 LYS A 586 3.888 -20.049 0.851 1.00 0.00 H
+ATOM 1262 HD3 LYS A 586 5.449 -20.810 0.526 1.00 0.00 H
+ATOM 1263 HE2 LYS A 586 6.589 -18.707 1.328 1.00 0.00 H
+ATOM 1264 HE3 LYS A 586 4.998 -18.090 1.812 1.00 0.00 H
+ATOM 1265 HZ1 LYS A 586 6.084 -19.050 3.660 1.00 0.00 H
+ATOM 1266 HZ2 LYS A 586 4.799 -19.982 3.305 1.00 0.00 H
+ATOM 1267 HZ3 LYS A 586 6.312 -20.495 2.886 1.00 0.00 H
+ATOM 1268 N GLU A 587 5.151 -14.864 -2.099 1.00 0.00 N
+ATOM 1269 CA GLU A 587 5.831 -14.218 -3.211 1.00 0.00 C
+ATOM 1270 C GLU A 587 6.935 -13.284 -2.685 1.00 0.00 C
+ATOM 1271 O GLU A 587 6.619 -12.374 -1.911 1.00 0.00 O
+ATOM 1272 CB GLU A 587 4.808 -13.516 -4.100 1.00 0.00 C
+ATOM 1273 CG GLU A 587 5.448 -13.120 -5.434 1.00 0.00 C
+ATOM 1274 CD GLU A 587 4.388 -12.873 -6.514 1.00 0.00 C
+ATOM 1275 OE1 GLU A 587 3.491 -12.022 -6.336 1.00 0.00 O
+ATOM 1276 OE2 GLU A 587 4.393 -13.602 -7.531 1.00 0.00 O
+ATOM 1277 H GLU A 587 4.274 -14.477 -1.770 1.00 0.00 H
+ATOM 1278 HA GLU A 587 6.266 -15.007 -3.817 1.00 0.00 H
+ATOM 1279 HB2 GLU A 587 4.007 -14.222 -4.306 1.00 0.00 H
+ATOM 1280 HB3 GLU A 587 4.382 -12.649 -3.595 1.00 0.00 H
+ATOM 1281 HG2 GLU A 587 6.092 -12.252 -5.276 1.00 0.00 H
+ATOM 1282 HG3 GLU A 587 6.090 -13.932 -5.779 1.00 0.00 H
+ATOM 1283 N PRO A 588 8.220 -13.489 -3.040 1.00 0.00 N
+ATOM 1284 CA PRO A 588 9.329 -12.663 -2.572 1.00 0.00 C
+ATOM 1285 C PRO A 588 9.178 -11.212 -2.986 1.00 0.00 C
+ATOM 1286 O PRO A 588 8.498 -10.852 -3.947 1.00 0.00 O
+ATOM 1287 CB PRO A 588 10.620 -13.228 -3.161 1.00 0.00 C
+ATOM 1288 CG PRO A 588 10.228 -14.586 -3.705 1.00 0.00 C
+ATOM 1289 CD PRO A 588 8.718 -14.523 -3.925 1.00 0.00 C
+ATOM 1290 HA PRO A 588 9.399 -12.699 -1.487 1.00 0.00 H
+ATOM 1291 HB2 PRO A 588 10.969 -12.602 -3.986 1.00 0.00 H
+ATOM 1292 HB3 PRO A 588 11.399 -13.310 -2.401 1.00 0.00 H
+ATOM 1293 HG2 PRO A 588 10.779 -14.740 -4.623 1.00 0.00 H
+ATOM 1294 HG3 PRO A 588 10.459 -15.361 -2.977 1.00 0.00 H
+ATOM 1295 HD2 PRO A 588 8.500 -14.263 -4.952 1.00 0.00 H
+ATOM 1296 HD3 PRO A 588 8.261 -15.481 -3.715 1.00 0.00 H
+ATOM 1297 N VAL A 589 9.927 -10.375 -2.293 1.00 0.00 N
+ATOM 1298 CA VAL A 589 9.827 -8.929 -2.431 1.00 0.00 C
+ATOM 1299 C VAL A 589 10.322 -8.528 -3.826 1.00 0.00 C
+ATOM 1300 O VAL A 589 9.779 -7.617 -4.442 1.00 0.00 O
+ATOM 1301 CB VAL A 589 10.662 -8.242 -1.319 1.00 0.00 C
+ATOM 1302 CG1 VAL A 589 10.438 -6.724 -1.261 1.00 0.00 C
+ATOM 1303 CG2 VAL A 589 10.360 -8.781 0.086 1.00 0.00 C
+ATOM 1304 H VAL A 589 10.647 -10.791 -1.714 1.00 0.00 H
+ATOM 1305 HA VAL A 589 8.767 -8.650 -2.344 1.00 0.00 H
+ATOM 1306 HB VAL A 589 11.722 -8.424 -1.505 1.00 0.00 H
+ATOM 1307 HG11 VAL A 589 10.648 -6.265 -2.225 1.00 0.00 H
+ATOM 1308 HG12 VAL A 589 9.404 -6.505 -1.009 1.00 0.00 H
+ATOM 1309 HG13 VAL A 589 11.087 -6.267 -0.508 1.00 0.00 H
+ATOM 1310 HG21 VAL A 589 10.553 -9.845 0.122 1.00 0.00 H
+ATOM 1311 HG22 VAL A 589 11.027 -8.312 0.813 1.00 0.00 H
+ATOM 1312 HG23 VAL A 589 9.322 -8.596 0.360 1.00 0.00 H
+ATOM 1313 N ALA A 590 11.322 -9.216 -4.371 1.00 0.00 N
+ATOM 1314 CA ALA A 590 11.778 -8.945 -5.726 1.00 0.00 C
+ATOM 1315 C ALA A 590 10.759 -9.432 -6.767 1.00 0.00 C
+ATOM 1316 O ALA A 590 10.634 -8.814 -7.826 1.00 0.00 O
+ATOM 1317 CB ALA A 590 13.141 -9.592 -5.939 1.00 0.00 C
+ATOM 1318 H ALA A 590 11.715 -9.973 -3.823 1.00 0.00 H
+ATOM 1319 HA ALA A 590 11.883 -7.862 -5.836 1.00 0.00 H
+ATOM 1320 HB1 ALA A 590 13.029 -10.675 -5.859 1.00 0.00 H
+ATOM 1321 HB2 ALA A 590 13.517 -9.310 -6.926 1.00 0.00 H
+ATOM 1322 HB3 ALA A 590 13.826 -9.213 -5.181 1.00 0.00 H
+ATOM 1323 N SER A 591 10.019 -10.515 -6.505 1.00 0.00 N
+ATOM 1324 CA SER A 591 9.024 -11.049 -7.401 1.00 0.00 C
+ATOM 1325 C SER A 591 7.810 -10.132 -7.460 1.00 0.00 C
+ATOM 1326 O SER A 591 7.381 -9.807 -8.569 1.00 0.00 O
+ATOM 1327 CB SER A 591 8.628 -12.425 -6.896 1.00 0.00 C
+ATOM 1328 OG SER A 591 9.707 -13.332 -6.966 1.00 0.00 O
+ATOM 1329 H SER A 591 10.061 -11.037 -5.646 1.00 0.00 H
+ATOM 1330 HA SER A 591 9.440 -11.140 -8.405 1.00 0.00 H
+ATOM 1331 HB2 SER A 591 8.276 -12.359 -5.871 1.00 0.00 H
+ATOM 1332 HB3 SER A 591 7.826 -12.784 -7.509 1.00 0.00 H
+ATOM 1333 HG SER A 591 9.334 -14.185 -7.297 1.00 0.00 H
+ATOM 1334 N ILE A 592 7.257 -9.705 -6.315 1.00 0.00 N
+ATOM 1335 CA ILE A 592 6.129 -8.783 -6.334 1.00 0.00 C
+ATOM 1336 C ILE A 592 6.570 -7.493 -7.032 1.00 0.00 C
+ATOM 1337 O ILE A 592 5.832 -6.985 -7.865 1.00 0.00 O
+ATOM 1338 CB ILE A 592 5.536 -8.549 -4.924 1.00 0.00 C
+ATOM 1339 CG1 ILE A 592 6.445 -7.745 -3.990 1.00 0.00 C
+ATOM 1340 CG2 ILE A 592 5.230 -9.861 -4.204 1.00 0.00 C
+ATOM 1341 CD1 ILE A 592 6.087 -6.256 -3.971 1.00 0.00 C
+ATOM 1342 H ILE A 592 7.603 -9.997 -5.402 1.00 0.00 H
+ATOM 1343 HA ILE A 592 5.341 -9.237 -6.943 1.00 0.00 H
+ATOM 1344 HB ILE A 592 4.589 -8.022 -5.041 1.00 0.00 H
+ATOM 1345 HG12 ILE A 592 6.404 -8.165 -2.986 1.00 0.00 H
+ATOM 1346 HG13 ILE A 592 7.465 -7.869 -4.314 1.00 0.00 H
+ATOM 1347 HG21 ILE A 592 6.147 -10.387 -3.954 1.00 0.00 H
+ATOM 1348 HG22 ILE A 592 4.732 -9.647 -3.269 1.00 0.00 H
+ATOM 1349 HG23 ILE A 592 4.571 -10.472 -4.812 1.00 0.00 H
+ATOM 1350 HD11 ILE A 592 6.904 -5.712 -3.502 1.00 0.00 H
+ATOM 1351 HD12 ILE A 592 5.956 -5.876 -4.983 1.00 0.00 H
+ATOM 1352 HD13 ILE A 592 5.158 -6.113 -3.414 1.00 0.00 H
+ATOM 1353 N ILE A 593 7.789 -6.993 -6.781 1.00 0.00 N
+ATOM 1354 CA ILE A 593 8.289 -5.811 -7.465 1.00 0.00 C
+ATOM 1355 C ILE A 593 8.280 -6.045 -8.970 1.00 0.00 C
+ATOM 1356 O ILE A 593 7.669 -5.245 -9.672 1.00 0.00 O
+ATOM 1357 CB ILE A 593 9.646 -5.375 -6.874 1.00 0.00 C
+ATOM 1358 CG1 ILE A 593 9.353 -4.665 -5.529 1.00 0.00 C
+ATOM 1359 CG2 ILE A 593 10.384 -4.445 -7.843 1.00 0.00 C
+ATOM 1360 CD1 ILE A 593 10.599 -4.262 -4.737 1.00 0.00 C
+ATOM 1361 H ILE A 593 8.376 -7.413 -6.066 1.00 0.00 H
+ATOM 1362 HA ILE A 593 7.570 -5.006 -7.297 1.00 0.00 H
+ATOM 1363 HB ILE A 593 10.272 -6.251 -6.698 1.00 0.00 H
+ATOM 1364 HG12 ILE A 593 8.748 -3.776 -5.704 1.00 0.00 H
+ATOM 1365 HG13 ILE A 593 8.770 -5.326 -4.893 1.00 0.00 H
+ATOM 1366 HG21 ILE A 593 11.276 -4.031 -7.384 1.00 0.00 H
+ATOM 1367 HG22 ILE A 593 10.713 -4.982 -8.727 1.00 0.00 H
+ATOM 1368 HG23 ILE A 593 9.712 -3.657 -8.160 1.00 0.00 H
+ATOM 1369 HD11 ILE A 593 10.307 -3.936 -3.737 1.00 0.00 H
+ATOM 1370 HD12 ILE A 593 11.280 -5.112 -4.652 1.00 0.00 H
+ATOM 1371 HD13 ILE A 593 11.101 -3.436 -5.238 1.00 0.00 H
+ATOM 1372 N THR A 594 8.901 -7.113 -9.475 1.00 0.00 N
+ATOM 1373 CA THR A 594 8.867 -7.478 -10.889 1.00 0.00 C
+ATOM 1374 C THR A 594 7.444 -7.435 -11.452 1.00 0.00 C
+ATOM 1375 O THR A 594 7.235 -6.932 -12.556 1.00 0.00 O
+ATOM 1376 CB THR A 594 9.530 -8.854 -11.054 1.00 0.00 C
+ATOM 1377 OG1 THR A 594 10.936 -8.687 -11.079 1.00 0.00 O
+ATOM 1378 CG2 THR A 594 9.057 -9.623 -12.290 1.00 0.00 C
+ATOM 1379 H THR A 594 9.390 -7.746 -8.850 1.00 0.00 H
+ATOM 1380 HA THR A 594 9.445 -6.755 -11.452 1.00 0.00 H
+ATOM 1381 HB THR A 594 9.292 -9.454 -10.180 1.00 0.00 H
+ATOM 1382 HG1 THR A 594 11.154 -8.226 -11.915 1.00 0.00 H
+ATOM 1383 HG21 THR A 594 7.993 -9.866 -12.175 1.00 0.00 H
+ATOM 1384 HG22 THR A 594 9.182 -9.013 -13.187 1.00 0.00 H
+ATOM 1385 HG23 THR A 594 9.625 -10.548 -12.385 1.00 0.00 H
+ATOM 1386 N LYS A 595 6.467 -7.924 -10.697 1.00 0.00 N
+ATOM 1387 CA LYS A 595 5.070 -7.882 -11.099 1.00 0.00 C
+ATOM 1388 C LYS A 595 4.661 -6.431 -11.249 1.00 0.00 C
+ATOM 1389 O LYS A 595 4.310 -6.056 -12.357 1.00 0.00 O
+ATOM 1390 CB LYS A 595 4.192 -8.683 -10.144 1.00 0.00 C
+ATOM 1391 CG LYS A 595 2.703 -8.589 -10.526 1.00 0.00 C
+ATOM 1392 CD LYS A 595 2.106 -9.870 -11.107 1.00 0.00 C
+ATOM 1393 CE LYS A 595 2.310 -9.935 -12.624 1.00 0.00 C
+ATOM 1394 NZ LYS A 595 1.508 -11.016 -13.222 1.00 0.00 N
+ATOM 1395 H LYS A 595 6.722 -8.175 -9.755 1.00 0.00 H
+ATOM 1396 HA LYS A 595 4.963 -8.356 -12.076 1.00 0.00 H
+ATOM 1397 HB2 LYS A 595 4.547 -9.718 -10.147 1.00 0.00 H
+ATOM 1398 HB3 LYS A 595 4.293 -8.305 -9.132 1.00 0.00 H
+ATOM 1399 HG2 LYS A 595 2.175 -8.364 -9.614 1.00 0.00 H
+ATOM 1400 HG3 LYS A 595 2.494 -7.762 -11.201 1.00 0.00 H
+ATOM 1401 HD2 LYS A 595 2.557 -10.736 -10.622 1.00 0.00 H
+ATOM 1402 HD3 LYS A 595 1.037 -9.869 -10.890 1.00 0.00 H
+ATOM 1403 HE2 LYS A 595 2.003 -8.985 -13.071 1.00 0.00 H
+ATOM 1404 HE3 LYS A 595 3.366 -10.089 -12.849 1.00 0.00 H
+ATOM 1405 HZ1 LYS A 595 1.660 -11.893 -12.734 1.00 0.00 H
+ATOM 1406 HZ2 LYS A 595 0.519 -10.776 -13.165 1.00 0.00 H
+ATOM 1407 HZ3 LYS A 595 1.765 -11.141 -14.196 1.00 0.00 H
+ATOM 1408 N LEU A 596 4.785 -5.609 -10.199 1.00 0.00 N
+ATOM 1409 CA LEU A 596 4.447 -4.179 -10.188 1.00 0.00 C
+ATOM 1410 C LEU A 596 5.082 -3.389 -11.340 1.00 0.00 C
+ATOM 1411 O LEU A 596 4.586 -2.319 -11.690 1.00 0.00 O
+ATOM 1412 CB LEU A 596 4.882 -3.537 -8.861 1.00 0.00 C
+ATOM 1413 CG LEU A 596 4.226 -4.092 -7.586 1.00 0.00 C
+ATOM 1414 CD1 LEU A 596 4.844 -3.419 -6.355 1.00 0.00 C
+ATOM 1415 CD2 LEU A 596 2.717 -3.894 -7.600 1.00 0.00 C
+ATOM 1416 H LEU A 596 5.164 -6.023 -9.350 1.00 0.00 H
+ATOM 1417 HA LEU A 596 3.366 -4.080 -10.280 1.00 0.00 H
+ATOM 1418 HB2 LEU A 596 5.959 -3.650 -8.774 1.00 0.00 H
+ATOM 1419 HB3 LEU A 596 4.666 -2.469 -8.918 1.00 0.00 H
+ATOM 1420 HG LEU A 596 4.402 -5.155 -7.501 1.00 0.00 H
+ATOM 1421 HD11 LEU A 596 4.679 -2.345 -6.395 1.00 0.00 H
+ATOM 1422 HD12 LEU A 596 4.394 -3.824 -5.447 1.00 0.00 H
+ATOM 1423 HD13 LEU A 596 5.916 -3.620 -6.331 1.00 0.00 H
+ATOM 1424 HD21 LEU A 596 2.325 -4.139 -6.614 1.00 0.00 H
+ATOM 1425 HD22 LEU A 596 2.482 -2.866 -7.881 1.00 0.00 H
+ATOM 1426 HD23 LEU A 596 2.270 -4.591 -8.311 1.00 0.00 H
+ATOM 1427 N ASN A 597 6.148 -3.907 -11.956 1.00 0.00 N
+ATOM 1428 CA ASN A 597 6.747 -3.324 -13.160 1.00 0.00 C
+ATOM 1429 C ASN A 597 5.751 -3.262 -14.325 1.00 0.00 C
+ATOM 1430 O ASN A 597 5.889 -2.381 -15.175 1.00 0.00 O
+ATOM 1431 CB ASN A 597 7.949 -4.112 -13.728 1.00 0.00 C
+ATOM 1432 CG ASN A 597 9.218 -4.324 -12.910 1.00 0.00 C
+ATOM 1433 OD1 ASN A 597 10.247 -4.712 -13.458 1.00 0.00 O
+ATOM 1434 ND2 ASN A 597 9.194 -4.187 -11.600 1.00 0.00 N
+ATOM 1435 H ASN A 597 6.444 -4.803 -11.604 1.00 0.00 H
+ATOM 1436 HA ASN A 597 7.052 -2.308 -12.920 1.00 0.00 H
+ATOM 1437 HB2 ASN A 597 7.611 -5.084 -14.064 1.00 0.00 H
+ATOM 1438 HB3 ASN A 597 8.253 -3.601 -14.633 1.00 0.00 H
+ATOM 1439 HD21 ASN A 597 8.294 -4.051 -11.163 1.00 0.00 H
+ATOM 1440 HD22 ASN A 597 9.895 -4.653 -11.041 1.00 0.00 H
+ATOM 1441 N SER A 598 4.796 -4.194 -14.426 1.00 0.00 N
+ATOM 1442 CA SER A 598 3.921 -4.311 -15.578 1.00 0.00 C
+ATOM 1443 C SER A 598 2.838 -3.234 -15.452 1.00 0.00 C
+ATOM 1444 O SER A 598 2.264 -2.805 -16.446 1.00 0.00 O
+ATOM 1445 CB SER A 598 3.310 -5.712 -15.529 1.00 0.00 C
+ATOM 1446 OG SER A 598 3.917 -6.594 -16.449 1.00 0.00 O
+ATOM 1447 H SER A 598 4.553 -4.851 -13.689 1.00 0.00 H
+ATOM 1448 HA SER A 598 4.465 -4.191 -16.508 1.00 0.00 H
+ATOM 1449 HB2 SER A 598 3.418 -6.128 -14.543 1.00 0.00 H
+ATOM 1450 HB3 SER A 598 2.251 -5.641 -15.733 1.00 0.00 H
+ATOM 1451 HG SER A 598 4.821 -6.755 -16.108 1.00 0.00 H
+ATOM 1452 N LEU A 599 2.568 -2.824 -14.213 1.00 0.00 N
+ATOM 1453 CA LEU A 599 1.495 -1.997 -13.753 1.00 0.00 C
+ATOM 1454 C LEU A 599 1.997 -0.569 -13.848 1.00 0.00 C
+ATOM 1455 O LEU A 599 1.333 0.265 -14.449 1.00 0.00 O
+ATOM 1456 CB LEU A 599 1.162 -2.368 -12.299 1.00 0.00 C
+ATOM 1457 CG LEU A 599 0.599 -3.780 -12.131 1.00 0.00 C
+ATOM 1458 CD1 LEU A 599 1.488 -4.899 -12.580 1.00 0.00 C
+ATOM 1459 CD2 LEU A 599 0.193 -4.014 -10.679 1.00 0.00 C
+ATOM 1460 H LEU A 599 3.034 -3.276 -13.453 1.00 0.00 H
+ATOM 1461 HA LEU A 599 0.626 -2.183 -14.383 1.00 0.00 H
+ATOM 1462 HB2 LEU A 599 2.027 -2.227 -11.654 1.00 0.00 H
+ATOM 1463 HB3 LEU A 599 0.384 -1.697 -11.967 1.00 0.00 H
+ATOM 1464 HG LEU A 599 -0.204 -3.863 -12.818 1.00 0.00 H
+ATOM 1465 HD11 LEU A 599 2.480 -4.651 -12.250 1.00 0.00 H
+ATOM 1466 HD12 LEU A 599 1.134 -5.853 -12.192 1.00 0.00 H
+ATOM 1467 HD13 LEU A 599 1.400 -4.912 -13.665 1.00 0.00 H
+ATOM 1468 HD21 LEU A 599 1.057 -3.839 -10.043 1.00 0.00 H
+ATOM 1469 HD22 LEU A 599 -0.612 -3.338 -10.414 1.00 0.00 H
+ATOM 1470 HD23 LEU A 599 -0.158 -5.032 -10.530 1.00 0.00 H
+ATOM 1471 N ASN A 600 3.207 -0.321 -13.307 1.00 0.00 N
+ATOM 1472 CA ASN A 600 3.952 0.944 -13.356 1.00 0.00 C
+ATOM 1473 C ASN A 600 3.085 2.145 -12.968 1.00 0.00 C
+ATOM 1474 O ASN A 600 3.334 3.279 -13.382 1.00 0.00 O
+ATOM 1475 CB ASN A 600 4.748 1.096 -14.671 1.00 0.00 C
+ATOM 1476 CG ASN A 600 3.940 0.717 -15.902 1.00 0.00 C
+ATOM 1477 OD1 ASN A 600 3.093 1.470 -16.364 1.00 0.00 O
+ATOM 1478 ND2 ASN A 600 4.122 -0.494 -16.404 1.00 0.00 N
+ATOM 1479 H ASN A 600 3.649 -1.077 -12.799 1.00 0.00 H
+ATOM 1480 HA ASN A 600 4.698 0.893 -12.569 1.00 0.00 H
+ATOM 1481 HB2 ASN A 600 5.098 2.125 -14.777 1.00 0.00 H
+ATOM 1482 HB3 ASN A 600 5.632 0.464 -14.618 1.00 0.00 H
+ATOM 1483 HD21 ASN A 600 4.866 -1.084 -16.042 1.00 0.00 H
+ATOM 1484 HD22 ASN A 600 3.424 -0.893 -17.019 1.00 0.00 H
+ATOM 1485 N GLU A 601 2.099 1.892 -12.106 1.00 0.00 N
+ATOM 1486 CA GLU A 601 1.188 2.897 -11.597 1.00 0.00 C
+ATOM 1487 C GLU A 601 1.869 3.661 -10.459 1.00 0.00 C
+ATOM 1488 O GLU A 601 2.742 3.090 -9.791 1.00 0.00 O
+ATOM 1489 CB GLU A 601 -0.120 2.276 -11.071 1.00 0.00 C
+ATOM 1490 CG GLU A 601 -0.623 1.098 -11.906 1.00 0.00 C
+ATOM 1491 CD GLU A 601 -2.130 0.840 -11.815 1.00 0.00 C
+ATOM 1492 OE1 GLU A 601 -2.829 1.459 -10.980 1.00 0.00 O
+ATOM 1493 OE2 GLU A 601 -2.642 0.051 -12.647 1.00 0.00 O
+ATOM 1494 H GLU A 601 1.983 0.949 -11.763 1.00 0.00 H
+ATOM 1495 HA GLU A 601 0.955 3.550 -12.434 1.00 0.00 H
+ATOM 1496 HB2 GLU A 601 0.021 1.927 -10.048 1.00 0.00 H
+ATOM 1497 HB3 GLU A 601 -0.878 3.056 -11.071 1.00 0.00 H
+ATOM 1498 HG2 GLU A 601 -0.382 1.275 -12.948 1.00 0.00 H
+ATOM 1499 HG3 GLU A 601 -0.067 0.226 -11.585 1.00 0.00 H
+ATOM 1500 N PRO A 602 1.428 4.896 -10.173 1.00 0.00 N
+ATOM 1501 CA PRO A 602 1.783 5.603 -8.956 1.00 0.00 C
+ATOM 1502 C PRO A 602 1.211 4.849 -7.752 1.00 0.00 C
+ATOM 1503 O PRO A 602 -0.010 4.701 -7.636 1.00 0.00 O
+ATOM 1504 CB PRO A 602 1.164 7.000 -9.075 1.00 0.00 C
+ATOM 1505 CG PRO A 602 0.386 7.028 -10.393 1.00 0.00 C
+ATOM 1506 CD PRO A 602 0.384 5.593 -10.902 1.00 0.00 C
+ATOM 1507 HA PRO A 602 2.867 5.677 -8.876 1.00 0.00 H
+ATOM 1508 HB2 PRO A 602 0.500 7.187 -8.237 1.00 0.00 H
+ATOM 1509 HB3 PRO A 602 1.932 7.766 -9.076 1.00 0.00 H
+ATOM 1510 HG2 PRO A 602 -0.636 7.375 -10.237 1.00 0.00 H
+ATOM 1511 HG3 PRO A 602 0.906 7.667 -11.108 1.00 0.00 H
+ATOM 1512 HD2 PRO A 602 -0.577 5.123 -10.690 1.00 0.00 H
+ATOM 1513 HD3 PRO A 602 0.567 5.564 -11.977 1.00 0.00 H
+ATOM 1514 N LEU A 603 2.074 4.377 -6.850 1.00 0.00 N
+ATOM 1515 CA LEU A 603 1.634 3.674 -5.652 1.00 0.00 C
+ATOM 1516 C LEU A 603 1.646 4.592 -4.432 1.00 0.00 C
+ATOM 1517 O LEU A 603 2.372 5.596 -4.388 1.00 0.00 O
+ATOM 1518 CB LEU A 603 2.549 2.481 -5.324 1.00 0.00 C
+ATOM 1519 CG LEU A 603 2.851 1.498 -6.460 1.00 0.00 C
+ATOM 1520 CD1 LEU A 603 3.734 0.390 -5.888 1.00 0.00 C
+ATOM 1521 CD2 LEU A 603 1.589 0.874 -7.046 1.00 0.00 C
+ATOM 1522 H LEU A 603 3.070 4.470 -7.026 1.00 0.00 H
+ATOM 1523 HA LEU A 603 0.620 3.312 -5.831 1.00 0.00 H
+ATOM 1524 HB2 LEU A 603 3.501 2.865 -4.965 1.00 0.00 H
+ATOM 1525 HB3 LEU A 603 2.096 1.923 -4.502 1.00 0.00 H
+ATOM 1526 HG LEU A 603 3.403 1.995 -7.256 1.00 0.00 H
+ATOM 1527 HD11 LEU A 603 3.161 -0.217 -5.191 1.00 0.00 H
+ATOM 1528 HD12 LEU A 603 4.088 -0.225 -6.713 1.00 0.00 H
+ATOM 1529 HD13 LEU A 603 4.581 0.838 -5.368 1.00 0.00 H
+ATOM 1530 HD21 LEU A 603 1.094 1.626 -7.659 1.00 0.00 H
+ATOM 1531 HD22 LEU A 603 1.846 0.025 -7.678 1.00 0.00 H
+ATOM 1532 HD23 LEU A 603 0.923 0.556 -6.250 1.00 0.00 H
+ATOM 1533 N VAL A 604 0.959 4.155 -3.380 1.00 0.00 N
+ATOM 1534 CA VAL A 604 1.173 4.587 -2.009 1.00 0.00 C
+ATOM 1535 C VAL A 604 1.098 3.327 -1.145 1.00 0.00 C
+ATOM 1536 O VAL A 604 0.146 2.552 -1.248 1.00 0.00 O
+ATOM 1537 CB VAL A 604 0.175 5.707 -1.634 1.00 0.00 C
+ATOM 1538 CG1 VAL A 604 -1.287 5.370 -1.938 1.00 0.00 C
+ATOM 1539 CG2 VAL A 604 0.271 6.086 -0.154 1.00 0.00 C
+ATOM 1540 H VAL A 604 0.352 3.347 -3.496 1.00 0.00 H
+ATOM 1541 HA VAL A 604 2.180 4.995 -1.928 1.00 0.00 H
+ATOM 1542 HB VAL A 604 0.434 6.593 -2.215 1.00 0.00 H
+ATOM 1543 HG11 VAL A 604 -1.416 5.203 -3.006 1.00 0.00 H
+ATOM 1544 HG12 VAL A 604 -1.574 4.463 -1.405 1.00 0.00 H
+ATOM 1545 HG13 VAL A 604 -1.943 6.183 -1.635 1.00 0.00 H
+ATOM 1546 HG21 VAL A 604 -0.322 6.974 0.049 1.00 0.00 H
+ATOM 1547 HG22 VAL A 604 -0.115 5.275 0.456 1.00 0.00 H
+ATOM 1548 HG23 VAL A 604 1.302 6.285 0.129 1.00 0.00 H
+ATOM 1549 N THR A 605 2.119 3.071 -0.327 1.00 0.00 N
+ATOM 1550 CA THR A 605 2.159 1.896 0.538 1.00 0.00 C
+ATOM 1551 C THR A 605 3.099 2.096 1.734 1.00 0.00 C
+ATOM 1552 O THR A 605 3.682 3.160 1.917 1.00 0.00 O
+ATOM 1553 CB THR A 605 2.481 0.659 -0.319 1.00 0.00 C
+ATOM 1554 OG1 THR A 605 2.371 -0.533 0.430 1.00 0.00 O
+ATOM 1555 CG2 THR A 605 3.832 0.741 -1.031 1.00 0.00 C
+ATOM 1556 H THR A 605 2.927 3.685 -0.307 1.00 0.00 H
+ATOM 1557 HA THR A 605 1.157 1.759 0.941 1.00 0.00 H
+ATOM 1558 HB THR A 605 1.722 0.595 -1.087 1.00 0.00 H
+ATOM 1559 HG1 THR A 605 1.441 -0.564 0.748 1.00 0.00 H
+ATOM 1560 HG21 THR A 605 3.784 1.470 -1.840 1.00 0.00 H
+ATOM 1561 HG22 THR A 605 4.616 1.039 -0.340 1.00 0.00 H
+ATOM 1562 HG23 THR A 605 4.066 -0.232 -1.456 1.00 0.00 H
+ATOM 1563 N MET A 606 3.204 1.091 2.595 1.00 0.00 N
+ATOM 1564 CA MET A 606 4.247 0.964 3.612 1.00 0.00 C
+ATOM 1565 C MET A 606 5.446 0.252 2.952 1.00 0.00 C
+ATOM 1566 O MET A 606 5.309 -0.165 1.802 1.00 0.00 O
+ATOM 1567 CB MET A 606 3.643 0.209 4.806 1.00 0.00 C
+ATOM 1568 CG MET A 606 2.460 1.008 5.363 1.00 0.00 C
+ATOM 1569 SD MET A 606 1.600 0.272 6.775 1.00 0.00 S
+ATOM 1570 CE MET A 606 0.725 -1.036 5.890 1.00 0.00 C
+ATOM 1571 H MET A 606 2.769 0.233 2.277 1.00 0.00 H
+ATOM 1572 HA MET A 606 4.557 1.955 3.940 1.00 0.00 H
+ATOM 1573 HB2 MET A 606 3.323 -0.779 4.488 1.00 0.00 H
+ATOM 1574 HB3 MET A 606 4.365 0.095 5.605 1.00 0.00 H
+ATOM 1575 HG2 MET A 606 2.826 1.993 5.642 1.00 0.00 H
+ATOM 1576 HG3 MET A 606 1.727 1.169 4.575 1.00 0.00 H
+ATOM 1577 HE1 MET A 606 -0.201 -1.252 6.421 1.00 0.00 H
+ATOM 1578 HE2 MET A 606 0.480 -0.713 4.880 1.00 0.00 H
+ATOM 1579 HE3 MET A 606 1.349 -1.927 5.828 1.00 0.00 H
+ATOM 1580 N PRO A 607 6.621 0.094 3.593 1.00 0.00 N
+ATOM 1581 CA PRO A 607 7.803 -0.485 2.938 1.00 0.00 C
+ATOM 1582 C PRO A 607 7.749 -2.012 2.706 1.00 0.00 C
+ATOM 1583 O PRO A 607 8.740 -2.710 2.886 1.00 0.00 O
+ATOM 1584 CB PRO A 607 8.989 -0.050 3.810 1.00 0.00 C
+ATOM 1585 CG PRO A 607 8.441 0.452 5.132 1.00 0.00 C
+ATOM 1586 CD PRO A 607 6.956 0.691 4.879 1.00 0.00 C
+ATOM 1587 HA PRO A 607 7.935 -0.014 1.954 1.00 0.00 H
+ATOM 1588 HB2 PRO A 607 9.705 -0.848 4.010 1.00 0.00 H
+ATOM 1589 HB3 PRO A 607 9.474 0.782 3.308 1.00 0.00 H
+ATOM 1590 HG2 PRO A 607 8.565 -0.311 5.901 1.00 0.00 H
+ATOM 1591 HG3 PRO A 607 8.970 1.364 5.417 1.00 0.00 H
+ATOM 1592 HD2 PRO A 607 6.393 0.226 5.686 1.00 0.00 H
+ATOM 1593 HD3 PRO A 607 6.746 1.756 4.844 1.00 0.00 H
+ATOM 1594 N ILE A 608 6.611 -2.531 2.240 1.00 0.00 N
+ATOM 1595 CA ILE A 608 6.342 -3.843 1.662 1.00 0.00 C
+ATOM 1596 C ILE A 608 7.170 -4.974 2.265 1.00 0.00 C
+ATOM 1597 O ILE A 608 6.698 -5.641 3.189 1.00 0.00 O
+ATOM 1598 CB ILE A 608 6.339 -3.718 0.116 1.00 0.00 C
+ATOM 1599 CG1 ILE A 608 5.076 -2.959 -0.362 1.00 0.00 C
+ATOM 1600 CG2 ILE A 608 6.421 -5.041 -0.658 1.00 0.00 C
+ATOM 1601 CD1 ILE A 608 3.780 -3.767 -0.257 1.00 0.00 C
+ATOM 1602 H ILE A 608 5.884 -1.848 2.070 1.00 0.00 H
+ATOM 1603 HA ILE A 608 5.336 -4.083 1.964 1.00 0.00 H
+ATOM 1604 HB ILE A 608 7.210 -3.129 -0.179 1.00 0.00 H
+ATOM 1605 HG12 ILE A 608 4.947 -2.050 0.218 1.00 0.00 H
+ATOM 1606 HG13 ILE A 608 5.207 -2.665 -1.406 1.00 0.00 H
+ATOM 1607 HG21 ILE A 608 7.429 -5.445 -0.641 1.00 0.00 H
+ATOM 1608 HG22 ILE A 608 5.719 -5.769 -0.264 1.00 0.00 H
+ATOM 1609 HG23 ILE A 608 6.171 -4.837 -1.694 1.00 0.00 H
+ATOM 1610 HD11 ILE A 608 3.667 -4.208 0.730 1.00 0.00 H
+ATOM 1611 HD12 ILE A 608 2.930 -3.117 -0.420 1.00 0.00 H
+ATOM 1612 HD13 ILE A 608 3.776 -4.554 -1.010 1.00 0.00 H
+ATOM 1613 N GLY A 609 8.360 -5.257 1.752 1.00 0.00 N
+ATOM 1614 CA GLY A 609 9.270 -6.226 2.325 1.00 0.00 C
+ATOM 1615 C GLY A 609 10.036 -5.575 3.469 1.00 0.00 C
+ATOM 1616 O GLY A 609 11.231 -5.393 3.351 1.00 0.00 O
+ATOM 1617 H GLY A 609 8.738 -4.589 1.089 1.00 0.00 H
+ATOM 1618 HA2 GLY A 609 8.717 -7.090 2.674 1.00 0.00 H
+ATOM 1619 HA3 GLY A 609 9.970 -6.602 1.584 1.00 0.00 H
+ATOM 1620 N TYR A 610 9.376 -5.253 4.575 1.00 0.00 N
+ATOM 1621 CA TYR A 610 9.923 -4.722 5.813 1.00 0.00 C
+ATOM 1622 C TYR A 610 9.671 -5.651 7.009 1.00 0.00 C
+ATOM 1623 O TYR A 610 10.632 -5.967 7.701 1.00 0.00 O
+ATOM 1624 CB TYR A 610 9.375 -3.301 5.999 1.00 0.00 C
+ATOM 1625 CG TYR A 610 9.578 -2.661 7.353 1.00 0.00 C
+ATOM 1626 CD1 TYR A 610 10.843 -2.653 7.965 1.00 0.00 C
+ATOM 1627 CD2 TYR A 610 8.483 -2.067 8.000 1.00 0.00 C
+ATOM 1628 CE1 TYR A 610 11.011 -2.065 9.231 1.00 0.00 C
+ATOM 1629 CE2 TYR A 610 8.635 -1.494 9.270 1.00 0.00 C
+ATOM 1630 CZ TYR A 610 9.903 -1.481 9.887 1.00 0.00 C
+ATOM 1631 OH TYR A 610 10.046 -0.862 11.090 1.00 0.00 O
+ATOM 1632 H TYR A 610 8.387 -5.377 4.532 1.00 0.00 H
+ATOM 1633 HA TYR A 610 11.003 -4.654 5.724 1.00 0.00 H
+ATOM 1634 HB2 TYR A 610 9.853 -2.662 5.264 1.00 0.00 H
+ATOM 1635 HB3 TYR A 610 8.308 -3.309 5.777 1.00 0.00 H
+ATOM 1636 HD1 TYR A 610 11.679 -3.108 7.455 1.00 0.00 H
+ATOM 1637 HD2 TYR A 610 7.520 -2.049 7.516 1.00 0.00 H
+ATOM 1638 HE1 TYR A 610 11.984 -2.062 9.694 1.00 0.00 H
+ATOM 1639 HE2 TYR A 610 7.781 -1.074 9.772 1.00 0.00 H
+ATOM 1640 HH TYR A 610 10.850 -1.126 11.575 1.00 0.00 H
+ATOM 1641 N VAL A 611 8.441 -6.116 7.260 1.00 0.00 N
+ATOM 1642 CA VAL A 611 8.068 -6.854 8.473 1.00 0.00 C
+ATOM 1643 C VAL A 611 7.243 -8.124 8.179 1.00 0.00 C
+ATOM 1644 O VAL A 611 7.591 -9.189 8.688 1.00 0.00 O
+ATOM 1645 CB VAL A 611 7.391 -5.873 9.460 1.00 0.00 C
+ATOM 1646 CG1 VAL A 611 6.635 -6.545 10.612 1.00 0.00 C
+ATOM 1647 CG2 VAL A 611 8.438 -4.952 10.103 1.00 0.00 C
+ATOM 1648 H VAL A 611 7.721 -5.909 6.586 1.00 0.00 H
+ATOM 1649 HA VAL A 611 8.988 -7.201 8.945 1.00 0.00 H
+ATOM 1650 HB VAL A 611 6.675 -5.259 8.912 1.00 0.00 H
+ATOM 1651 HG11 VAL A 611 5.774 -7.096 10.236 1.00 0.00 H
+ATOM 1652 HG12 VAL A 611 7.302 -7.226 11.139 1.00 0.00 H
+ATOM 1653 HG13 VAL A 611 6.279 -5.779 11.303 1.00 0.00 H
+ATOM 1654 HG21 VAL A 611 9.126 -5.532 10.719 1.00 0.00 H
+ATOM 1655 HG22 VAL A 611 9.016 -4.437 9.344 1.00 0.00 H
+ATOM 1656 HG23 VAL A 611 7.949 -4.204 10.722 1.00 0.00 H
+ATOM 1657 N THR A 612 6.188 -8.084 7.351 1.00 0.00 N
+ATOM 1658 CA THR A 612 5.372 -9.270 7.011 1.00 0.00 C
+ATOM 1659 C THR A 612 6.236 -10.441 6.516 1.00 0.00 C
+ATOM 1660 O THR A 612 6.019 -11.598 6.866 1.00 0.00 O
+ATOM 1661 CB THR A 612 4.273 -8.903 5.984 1.00 0.00 C
+ATOM 1662 OG1 THR A 612 3.652 -10.047 5.429 1.00 0.00 O
+ATOM 1663 CG2 THR A 612 4.782 -8.102 4.784 1.00 0.00 C
+ATOM 1664 H THR A 612 5.954 -7.207 6.905 1.00 0.00 H
+ATOM 1665 HA THR A 612 4.867 -9.602 7.916 1.00 0.00 H
+ATOM 1666 HB THR A 612 3.529 -8.296 6.493 1.00 0.00 H
+ATOM 1667 HG1 THR A 612 3.041 -10.436 6.097 1.00 0.00 H
+ATOM 1668 HG21 THR A 612 5.224 -7.170 5.123 1.00 0.00 H
+ATOM 1669 HG22 THR A 612 5.531 -8.673 4.239 1.00 0.00 H
+ATOM 1670 HG23 THR A 612 3.948 -7.865 4.123 1.00 0.00 H
+ATOM 1671 N HIS A 613 7.213 -10.123 5.676 1.00 0.00 N
+ATOM 1672 CA HIS A 613 8.170 -10.989 5.012 1.00 0.00 C
+ATOM 1673 C HIS A 613 9.525 -10.944 5.738 1.00 0.00 C
+ATOM 1674 O HIS A 613 10.517 -11.376 5.152 1.00 0.00 O
+ATOM 1675 CB HIS A 613 8.280 -10.531 3.539 1.00 0.00 C
+ATOM 1676 CG HIS A 613 7.223 -11.002 2.577 1.00 0.00 C
+ATOM 1677 ND1 HIS A 613 5.882 -11.243 2.832 1.00 0.00 N
+ATOM 1678 CD2 HIS A 613 7.449 -11.182 1.242 1.00 0.00 C
+ATOM 1679 CE1 HIS A 613 5.316 -11.584 1.655 1.00 0.00 C
+ATOM 1680 NE2 HIS A 613 6.251 -11.573 0.684 1.00 0.00 N
+ATOM 1681 H HIS A 613 7.320 -9.129 5.514 1.00 0.00 H
+ATOM 1682 HA HIS A 613 7.824 -12.022 5.044 1.00 0.00 H
+ATOM 1683 HB2 HIS A 613 8.266 -9.456 3.505 1.00 0.00 H
+ATOM 1684 HB3 HIS A 613 9.249 -10.791 3.119 1.00 0.00 H
+ATOM 1685 HD1 HIS A 613 5.412 -11.197 3.732 1.00 0.00 H
+ATOM 1686 HD2 HIS A 613 8.396 -11.039 0.733 1.00 0.00 H
+ATOM 1687 HE1 HIS A 613 4.280 -11.843 1.494 1.00 0.00 H
+ATOM 1688 HE2 HIS A 613 6.134 -11.863 -0.294 1.00 0.00 H
+ATOM 1689 N GLY A 614 9.611 -10.385 6.950 1.00 0.00 N
+ATOM 1690 CA GLY A 614 10.722 -10.651 7.853 1.00 0.00 C
+ATOM 1691 C GLY A 614 11.988 -9.810 7.665 1.00 0.00 C
+ATOM 1692 O GLY A 614 13.022 -10.199 8.202 1.00 0.00 O
+ATOM 1693 H GLY A 614 8.769 -10.043 7.396 1.00 0.00 H
+ATOM 1694 HA2 GLY A 614 10.376 -10.534 8.879 1.00 0.00 H
+ATOM 1695 HA3 GLY A 614 10.994 -11.695 7.707 1.00 0.00 H
+ATOM 1696 N PHE A 615 11.962 -8.710 6.902 1.00 0.00 N
+ATOM 1697 CA PHE A 615 13.186 -7.936 6.627 1.00 0.00 C
+ATOM 1698 C PHE A 615 13.549 -6.989 7.795 1.00 0.00 C
+ATOM 1699 O PHE A 615 13.097 -7.124 8.938 1.00 0.00 O
+ATOM 1700 CB PHE A 615 13.057 -7.223 5.260 1.00 0.00 C
+ATOM 1701 CG PHE A 615 13.337 -8.037 3.995 1.00 0.00 C
+ATOM 1702 CD1 PHE A 615 13.577 -9.427 4.012 1.00 0.00 C
+ATOM 1703 CD2 PHE A 615 13.387 -7.362 2.760 1.00 0.00 C
+ATOM 1704 CE1 PHE A 615 13.886 -10.109 2.820 1.00 0.00 C
+ATOM 1705 CE2 PHE A 615 13.660 -8.044 1.565 1.00 0.00 C
+ATOM 1706 CZ PHE A 615 13.918 -9.424 1.593 1.00 0.00 C
+ATOM 1707 H PHE A 615 11.058 -8.355 6.590 1.00 0.00 H
+ATOM 1708 HA PHE A 615 14.033 -8.620 6.543 1.00 0.00 H
+ATOM 1709 HB2 PHE A 615 12.063 -6.790 5.211 1.00 0.00 H
+ATOM 1710 HB3 PHE A 615 13.741 -6.381 5.203 1.00 0.00 H
+ATOM 1711 HD1 PHE A 615 13.557 -9.996 4.930 1.00 0.00 H
+ATOM 1712 HD2 PHE A 615 13.189 -6.305 2.717 1.00 0.00 H
+ATOM 1713 HE1 PHE A 615 14.108 -11.169 2.857 1.00 0.00 H
+ATOM 1714 HE2 PHE A 615 13.665 -7.496 0.633 1.00 0.00 H
+ATOM 1715 HZ PHE A 615 14.147 -9.959 0.680 1.00 0.00 H
+ATOM 1716 N ASN A 616 14.454 -6.050 7.513 1.00 0.00 N
+ATOM 1717 CA ASN A 616 14.748 -4.855 8.292 1.00 0.00 C
+ATOM 1718 C ASN A 616 14.454 -3.659 7.397 1.00 0.00 C
+ATOM 1719 O ASN A 616 14.398 -3.807 6.175 1.00 0.00 O
+ATOM 1720 CB ASN A 616 16.239 -4.786 8.642 1.00 0.00 C
+ATOM 1721 CG ASN A 616 16.730 -5.878 9.577 1.00 0.00 C
+ATOM 1722 OD1 ASN A 616 15.965 -6.485 10.317 1.00 0.00 O
+ATOM 1723 ND2 ASN A 616 18.021 -6.120 9.597 1.00 0.00 N
+ATOM 1724 H ASN A 616 14.735 -5.968 6.547 1.00 0.00 H
+ATOM 1725 HA ASN A 616 14.139 -4.820 9.198 1.00 0.00 H
+ATOM 1726 HB2 ASN A 616 16.799 -4.816 7.706 1.00 0.00 H
+ATOM 1727 HB3 ASN A 616 16.452 -3.832 9.125 1.00 0.00 H
+ATOM 1728 HD21 ASN A 616 18.648 -5.508 9.072 1.00 0.00 H
+ATOM 1729 HD22 ASN A 616 18.407 -6.808 10.234 1.00 0.00 H
+ATOM 1730 N LEU A 617 14.380 -2.462 7.981 1.00 0.00 N
+ATOM 1731 CA LEU A 617 14.107 -1.211 7.274 1.00 0.00 C
+ATOM 1732 C LEU A 617 15.089 -0.955 6.129 1.00 0.00 C
+ATOM 1733 O LEU A 617 14.707 -0.374 5.118 1.00 0.00 O
+ATOM 1734 CB LEU A 617 14.158 -0.051 8.287 1.00 0.00 C
+ATOM 1735 CG LEU A 617 13.491 1.250 7.790 1.00 0.00 C
+ATOM 1736 CD1 LEU A 617 11.972 1.105 7.639 1.00 0.00 C
+ATOM 1737 CD2 LEU A 617 13.761 2.421 8.746 1.00 0.00 C
+ATOM 1738 H LEU A 617 14.433 -2.431 8.995 1.00 0.00 H
+ATOM 1739 HA LEU A 617 13.107 -1.280 6.849 1.00 0.00 H
+ATOM 1740 HB2 LEU A 617 13.687 -0.374 9.210 1.00 0.00 H
+ATOM 1741 HB3 LEU A 617 15.202 0.152 8.528 1.00 0.00 H
+ATOM 1742 HG LEU A 617 13.909 1.513 6.822 1.00 0.00 H
+ATOM 1743 HD11 LEU A 617 11.731 0.385 6.858 1.00 0.00 H
+ATOM 1744 HD12 LEU A 617 11.529 0.779 8.579 1.00 0.00 H
+ATOM 1745 HD13 LEU A 617 11.542 2.064 7.356 1.00 0.00 H
+ATOM 1746 HD21 LEU A 617 13.259 2.254 9.700 1.00 0.00 H
+ATOM 1747 HD22 LEU A 617 14.830 2.520 8.929 1.00 0.00 H
+ATOM 1748 HD23 LEU A 617 13.406 3.355 8.302 1.00 0.00 H
+ATOM 1749 N GLU A 618 16.341 -1.379 6.291 1.00 0.00 N
+ATOM 1750 CA GLU A 618 17.418 -1.124 5.338 1.00 0.00 C
+ATOM 1751 C GLU A 618 17.205 -1.985 4.092 1.00 0.00 C
+ATOM 1752 O GLU A 618 17.175 -1.514 2.957 1.00 0.00 O
+ATOM 1753 CB GLU A 618 18.746 -1.434 6.048 1.00 0.00 C
+ATOM 1754 CG GLU A 618 19.966 -1.079 5.201 1.00 0.00 C
+ATOM 1755 CD GLU A 618 21.283 -1.361 5.935 1.00 0.00 C
+ATOM 1756 OE1 GLU A 618 21.762 -0.470 6.674 1.00 0.00 O
+ATOM 1757 OE2 GLU A 618 21.916 -2.413 5.683 1.00 0.00 O
+ATOM 1758 H GLU A 618 16.538 -1.972 7.085 1.00 0.00 H
+ATOM 1759 HA GLU A 618 17.407 -0.080 5.037 1.00 0.00 H
+ATOM 1760 HB2 GLU A 618 18.789 -0.872 6.981 1.00 0.00 H
+ATOM 1761 HB3 GLU A 618 18.779 -2.495 6.283 1.00 0.00 H
+ATOM 1762 HG2 GLU A 618 19.923 -1.652 4.278 1.00 0.00 H
+ATOM 1763 HG3 GLU A 618 19.924 -0.027 4.928 1.00 0.00 H
+ATOM 1764 N GLU A 619 17.007 -3.273 4.337 1.00 0.00 N
+ATOM 1765 CA GLU A 619 16.858 -4.337 3.357 1.00 0.00 C
+ATOM 1766 C GLU A 619 15.574 -4.125 2.561 1.00 0.00 C
+ATOM 1767 O GLU A 619 15.519 -4.389 1.356 1.00 0.00 O
+ATOM 1768 CB GLU A 619 16.817 -5.665 4.122 1.00 0.00 C
+ATOM 1769 CG GLU A 619 18.069 -5.831 5.008 1.00 0.00 C
+ATOM 1770 CD GLU A 619 19.307 -6.320 4.242 1.00 0.00 C
+ATOM 1771 OE1 GLU A 619 19.604 -5.830 3.126 1.00 0.00 O
+ATOM 1772 OE2 GLU A 619 20.002 -7.227 4.767 1.00 0.00 O
+ATOM 1773 H GLU A 619 17.027 -3.544 5.308 1.00 0.00 H
+ATOM 1774 HA GLU A 619 17.717 -4.337 2.689 1.00 0.00 H
+ATOM 1775 HB2 GLU A 619 15.919 -5.682 4.744 1.00 0.00 H
+ATOM 1776 HB3 GLU A 619 16.732 -6.513 3.440 1.00 0.00 H
+ATOM 1777 HG2 GLU A 619 18.336 -4.911 5.527 1.00 0.00 H
+ATOM 1778 HG3 GLU A 619 17.802 -6.506 5.811 1.00 0.00 H
+ATOM 1779 N ALA A 620 14.552 -3.625 3.253 1.00 0.00 N
+ATOM 1780 CA ALA A 620 13.289 -3.208 2.702 1.00 0.00 C
+ATOM 1781 C ALA A 620 13.499 -2.094 1.690 1.00 0.00 C
+ATOM 1782 O ALA A 620 13.025 -2.197 0.556 1.00 0.00 O
+ATOM 1783 CB ALA A 620 12.399 -2.733 3.857 1.00 0.00 C
+ATOM 1784 H ALA A 620 14.698 -3.465 4.244 1.00 0.00 H
+ATOM 1785 HA ALA A 620 12.835 -4.058 2.192 1.00 0.00 H
+ATOM 1786 HB1 ALA A 620 12.766 -1.802 4.284 1.00 0.00 H
+ATOM 1787 HB2 ALA A 620 11.387 -2.583 3.490 1.00 0.00 H
+ATOM 1788 HB3 ALA A 620 12.398 -3.484 4.644 1.00 0.00 H
+ATOM 1789 N ALA A 621 14.144 -1.012 2.128 1.00 0.00 N
+ATOM 1790 CA ALA A 621 14.350 0.210 1.375 1.00 0.00 C
+ATOM 1791 C ALA A 621 15.160 -0.080 0.107 1.00 0.00 C
+ATOM 1792 O ALA A 621 14.723 0.306 -0.978 1.00 0.00 O
+ATOM 1793 CB ALA A 621 15.047 1.204 2.309 1.00 0.00 C
+ATOM 1794 H ALA A 621 14.501 -1.028 3.079 1.00 0.00 H
+ATOM 1795 HA ALA A 621 13.374 0.611 1.070 1.00 0.00 H
+ATOM 1796 HB1 ALA A 621 14.457 1.339 3.214 1.00 0.00 H
+ATOM 1797 HB2 ALA A 621 16.038 0.837 2.581 1.00 0.00 H
+ATOM 1798 HB3 ALA A 621 15.144 2.170 1.834 1.00 0.00 H
+ATOM 1799 N ARG A 622 16.266 -0.830 0.221 1.00 0.00 N
+ATOM 1800 CA ARG A 622 17.080 -1.265 -0.910 1.00 0.00 C
+ATOM 1801 C ARG A 622 16.234 -1.942 -1.974 1.00 0.00 C
+ATOM 1802 O ARG A 622 16.235 -1.508 -3.127 1.00 0.00 O
+ATOM 1803 CB ARG A 622 18.142 -2.243 -0.437 1.00 0.00 C
+ATOM 1804 CG ARG A 622 19.329 -1.546 0.216 1.00 0.00 C
+ATOM 1805 CD ARG A 622 20.231 -2.681 0.673 1.00 0.00 C
+ATOM 1806 NE ARG A 622 21.445 -2.185 1.326 1.00 0.00 N
+ATOM 1807 CZ ARG A 622 21.859 -2.527 2.551 1.00 0.00 C
+ATOM 1808 NH1 ARG A 622 21.346 -3.553 3.230 1.00 0.00 N
+ATOM 1809 NH2 ARG A 622 22.784 -1.792 3.147 1.00 0.00 N
+ATOM 1810 H ARG A 622 16.571 -1.136 1.142 1.00 0.00 H
+ATOM 1811 HA ARG A 622 17.594 -0.406 -1.337 1.00 0.00 H
+ATOM 1812 HB2 ARG A 622 17.697 -2.964 0.251 1.00 0.00 H
+ATOM 1813 HB3 ARG A 622 18.514 -2.784 -1.303 1.00 0.00 H
+ATOM 1814 HG2 ARG A 622 19.843 -0.917 -0.510 1.00 0.00 H
+ATOM 1815 HG3 ARG A 622 19.010 -0.950 1.072 1.00 0.00 H
+ATOM 1816 HD2 ARG A 622 19.637 -3.280 1.354 1.00 0.00 H
+ATOM 1817 HD3 ARG A 622 20.500 -3.289 -0.186 1.00 0.00 H
+ATOM 1818 HE ARG A 622 21.907 -1.426 0.834 1.00 0.00 H
+ATOM 1819 HH11 ARG A 622 20.666 -4.228 2.878 1.00 0.00 H
+ATOM 1820 HH12 ARG A 622 21.574 -3.605 4.226 1.00 0.00 H
+ATOM 1821 HH21 ARG A 622 23.189 -0.964 2.715 1.00 0.00 H
+ATOM 1822 HH22 ARG A 622 22.936 -1.944 4.148 1.00 0.00 H
+ATOM 1823 N CYS A 623 15.508 -2.990 -1.565 1.00 0.00 N
+ATOM 1824 CA CYS A 623 14.663 -3.770 -2.454 1.00 0.00 C
+ATOM 1825 C CYS A 623 13.680 -2.839 -3.165 1.00 0.00 C
+ATOM 1826 O CYS A 623 13.444 -2.957 -4.361 1.00 0.00 O
+ATOM 1827 CB CYS A 623 13.932 -4.855 -1.643 1.00 0.00 C
+ATOM 1828 SG CYS A 623 13.493 -6.253 -2.711 1.00 0.00 S
+ATOM 1829 H CYS A 623 15.568 -3.255 -0.591 1.00 0.00 H
+ATOM 1830 HA CYS A 623 15.304 -4.242 -3.200 1.00 0.00 H
+ATOM 1831 HB2 CYS A 623 14.574 -5.227 -0.846 1.00 0.00 H
+ATOM 1832 HB3 CYS A 623 13.032 -4.435 -1.193 1.00 0.00 H
+ATOM 1833 HG CYS A 623 12.877 -6.980 -1.774 1.00 0.00 H
+ATOM 1834 N MET A 624 13.121 -1.877 -2.434 1.00 0.00 N
+ATOM 1835 CA MET A 624 12.152 -0.924 -2.946 1.00 0.00 C
+ATOM 1836 C MET A 624 12.705 0.037 -3.997 1.00 0.00 C
+ATOM 1837 O MET A 624 11.949 0.443 -4.875 1.00 0.00 O
+ATOM 1838 CB MET A 624 11.526 -0.185 -1.766 1.00 0.00 C
+ATOM 1839 CG MET A 624 10.071 -0.640 -1.650 1.00 0.00 C
+ATOM 1840 SD MET A 624 9.009 0.230 -2.820 1.00 0.00 S
+ATOM 1841 CE MET A 624 8.944 1.734 -1.829 1.00 0.00 C
+ATOM 1842 H MET A 624 13.385 -1.805 -1.459 1.00 0.00 H
+ATOM 1843 HA MET A 624 11.368 -1.483 -3.454 1.00 0.00 H
+ATOM 1844 HB2 MET A 624 12.051 -0.407 -0.843 1.00 0.00 H
+ATOM 1845 HB3 MET A 624 11.588 0.891 -1.920 1.00 0.00 H
+ATOM 1846 HG2 MET A 624 10.000 -1.716 -1.809 1.00 0.00 H
+ATOM 1847 HG3 MET A 624 9.711 -0.440 -0.642 1.00 0.00 H
+ATOM 1848 HE1 MET A 624 9.922 2.218 -1.854 1.00 0.00 H
+ATOM 1849 HE2 MET A 624 8.185 2.406 -2.223 1.00 0.00 H
+ATOM 1850 HE3 MET A 624 8.711 1.468 -0.795 1.00 0.00 H
+ATOM 1851 N ARG A 625 13.995 0.378 -3.999 1.00 0.00 N
+ATOM 1852 CA ARG A 625 14.580 1.085 -5.146 1.00 0.00 C
+ATOM 1853 C ARG A 625 14.530 0.254 -6.423 1.00 0.00 C
+ATOM 1854 O ARG A 625 14.437 0.809 -7.521 1.00 0.00 O
+ATOM 1855 CB ARG A 625 16.029 1.472 -4.871 1.00 0.00 C
+ATOM 1856 CG ARG A 625 16.139 2.319 -3.604 1.00 0.00 C
+ATOM 1857 CD ARG A 625 17.407 3.149 -3.667 1.00 0.00 C
+ATOM 1858 NE ARG A 625 17.228 4.359 -4.474 1.00 0.00 N
+ATOM 1859 CZ ARG A 625 18.212 5.142 -4.914 1.00 0.00 C
+ATOM 1860 NH1 ARG A 625 19.492 4.836 -4.700 1.00 0.00 N
+ATOM 1861 NH2 ARG A 625 17.888 6.213 -5.627 1.00 0.00 N
+ATOM 1862 H ARG A 625 14.585 0.133 -3.210 1.00 0.00 H
+ATOM 1863 HA ARG A 625 14.002 1.992 -5.325 1.00 0.00 H
+ATOM 1864 HB2 ARG A 625 16.641 0.578 -4.761 1.00 0.00 H
+ATOM 1865 HB3 ARG A 625 16.399 2.034 -5.730 1.00 0.00 H
+ATOM 1866 HG2 ARG A 625 15.278 2.982 -3.514 1.00 0.00 H
+ATOM 1867 HG3 ARG A 625 16.184 1.661 -2.736 1.00 0.00 H
+ATOM 1868 HD2 ARG A 625 17.671 3.454 -2.664 1.00 0.00 H
+ATOM 1869 HD3 ARG A 625 18.210 2.530 -4.067 1.00 0.00 H
+ATOM 1870 HE ARG A 625 16.266 4.649 -4.631 1.00 0.00 H
+ATOM 1871 HH11 ARG A 625 19.702 4.054 -4.052 1.00 0.00 H
+ATOM 1872 HH12 ARG A 625 20.267 5.463 -4.841 1.00 0.00 H
+ATOM 1873 HH21 ARG A 625 16.910 6.432 -5.767 1.00 0.00 H
+ATOM 1874 HH22 ARG A 625 18.563 6.806 -6.080 1.00 0.00 H
+ATOM 1875 N SER A 626 14.563 -1.070 -6.295 1.00 0.00 N
+ATOM 1876 CA SER A 626 14.395 -1.976 -7.414 1.00 0.00 C
+ATOM 1877 C SER A 626 12.971 -1.904 -7.982 1.00 0.00 C
+ATOM 1878 O SER A 626 12.748 -2.384 -9.093 1.00 0.00 O
+ATOM 1879 CB SER A 626 14.773 -3.400 -6.973 1.00 0.00 C
+ATOM 1880 OG SER A 626 15.377 -4.111 -8.035 1.00 0.00 O
+ATOM 1881 H SER A 626 14.645 -1.487 -5.376 1.00 0.00 H
+ATOM 1882 HA SER A 626 15.087 -1.657 -8.194 1.00 0.00 H
+ATOM 1883 HB2 SER A 626 15.495 -3.353 -6.156 1.00 0.00 H
+ATOM 1884 HB3 SER A 626 13.882 -3.934 -6.633 1.00 0.00 H
+ATOM 1885 HG SER A 626 16.195 -3.606 -8.256 1.00 0.00 H
+ATOM 1886 N LEU A 627 11.997 -1.282 -7.300 1.00 0.00 N
+ATOM 1887 CA LEU A 627 10.704 -0.996 -7.894 1.00 0.00 C
+ATOM 1888 C LEU A 627 10.814 0.210 -8.803 1.00 0.00 C
+ATOM 1889 O LEU A 627 11.184 1.306 -8.388 1.00 0.00 O
+ATOM 1890 CB LEU A 627 9.644 -0.778 -6.812 1.00 0.00 C
+ATOM 1891 CG LEU A 627 8.267 -0.404 -7.373 1.00 0.00 C
+ATOM 1892 CD1 LEU A 627 7.668 -1.495 -8.266 1.00 0.00 C
+ATOM 1893 CD2 LEU A 627 7.334 -0.136 -6.197 1.00 0.00 C
+ATOM 1894 H LEU A 627 12.189 -0.840 -6.408 1.00 0.00 H
+ATOM 1895 HA LEU A 627 10.435 -1.840 -8.531 1.00 0.00 H
+ATOM 1896 HB2 LEU A 627 9.568 -1.675 -6.201 1.00 0.00 H
+ATOM 1897 HB3 LEU A 627 9.967 0.039 -6.176 1.00 0.00 H
+ATOM 1898 HG LEU A 627 8.345 0.518 -7.946 1.00 0.00 H
+ATOM 1899 HD11 LEU A 627 7.629 -2.438 -7.721 1.00 0.00 H
+ATOM 1900 HD12 LEU A 627 6.661 -1.203 -8.564 1.00 0.00 H
+ATOM 1901 HD13 LEU A 627 8.258 -1.622 -9.172 1.00 0.00 H
+ATOM 1902 HD21 LEU A 627 7.772 0.630 -5.556 1.00 0.00 H
+ATOM 1903 HD22 LEU A 627 6.389 0.235 -6.584 1.00 0.00 H
+ATOM 1904 HD23 LEU A 627 7.184 -1.053 -5.624 1.00 0.00 H
+ATOM 1905 N LYS A 628 10.460 -0.031 -10.057 1.00 0.00 N
+ATOM 1906 CA LYS A 628 10.573 0.866 -11.194 1.00 0.00 C
+ATOM 1907 C LYS A 628 9.247 1.606 -11.390 1.00 0.00 C
+ATOM 1908 O LYS A 628 8.814 1.830 -12.515 1.00 0.00 O
+ATOM 1909 CB LYS A 628 10.994 0.008 -12.402 1.00 0.00 C
+ATOM 1910 CG LYS A 628 12.213 -0.904 -12.122 1.00 0.00 C
+ATOM 1911 CD LYS A 628 13.551 -0.140 -11.983 1.00 0.00 C
+ATOM 1912 CE LYS A 628 13.759 0.327 -10.532 1.00 0.00 C
+ATOM 1913 NZ LYS A 628 14.822 1.334 -10.349 1.00 0.00 N
+ATOM 1914 H LYS A 628 10.164 -0.968 -10.285 1.00 0.00 H
+ATOM 1915 HA LYS A 628 11.328 1.631 -11.007 1.00 0.00 H
+ATOM 1916 HB2 LYS A 628 10.153 -0.630 -12.676 1.00 0.00 H
+ATOM 1917 HB3 LYS A 628 11.208 0.658 -13.253 1.00 0.00 H
+ATOM 1918 HG2 LYS A 628 12.044 -1.507 -11.236 1.00 0.00 H
+ATOM 1919 HG3 LYS A 628 12.257 -1.659 -12.897 1.00 0.00 H
+ATOM 1920 HD2 LYS A 628 14.368 -0.812 -12.250 1.00 0.00 H
+ATOM 1921 HD3 LYS A 628 13.556 0.712 -12.666 1.00 0.00 H
+ATOM 1922 HE2 LYS A 628 12.839 0.772 -10.166 1.00 0.00 H
+ATOM 1923 HE3 LYS A 628 13.982 -0.540 -9.910 1.00 0.00 H
+ATOM 1924 HZ1 LYS A 628 15.751 0.965 -10.532 1.00 0.00 H
+ATOM 1925 HZ2 LYS A 628 14.677 2.147 -10.938 1.00 0.00 H
+ATOM 1926 HZ3 LYS A 628 14.823 1.636 -9.379 1.00 0.00 H
+ATOM 1927 N ALA A 629 8.552 1.897 -10.292 1.00 0.00 N
+ATOM 1928 CA ALA A 629 7.294 2.615 -10.276 1.00 0.00 C
+ATOM 1929 C ALA A 629 7.340 3.601 -9.106 1.00 0.00 C
+ATOM 1930 O ALA A 629 7.990 3.296 -8.091 1.00 0.00 O
+ATOM 1931 CB ALA A 629 6.144 1.610 -10.132 1.00 0.00 C
+ATOM 1932 H ALA A 629 9.037 1.850 -9.408 1.00 0.00 H
+ATOM 1933 HA ALA A 629 7.185 3.158 -11.213 1.00 0.00 H
+ATOM 1934 HB1 ALA A 629 6.232 0.821 -10.882 1.00 0.00 H
+ATOM 1935 HB2 ALA A 629 6.156 1.162 -9.140 1.00 0.00 H
+ATOM 1936 HB3 ALA A 629 5.200 2.134 -10.273 1.00 0.00 H
+ATOM 1937 N PRO A 630 6.669 4.762 -9.209 1.00 0.00 N
+ATOM 1938 CA PRO A 630 6.545 5.687 -8.095 1.00 0.00 C
+ATOM 1939 C PRO A 630 5.832 5.002 -6.937 1.00 0.00 C
+ATOM 1940 O PRO A 630 4.931 4.189 -7.133 1.00 0.00 O
+ATOM 1941 CB PRO A 630 5.754 6.893 -8.617 1.00 0.00 C
+ATOM 1942 CG PRO A 630 5.758 6.736 -10.135 1.00 0.00 C
+ATOM 1943 CD PRO A 630 5.895 5.234 -10.346 1.00 0.00 C
+ATOM 1944 HA PRO A 630 7.540 5.986 -7.766 1.00 0.00 H
+ATOM 1945 HB2 PRO A 630 4.727 6.866 -8.254 1.00 0.00 H
+ATOM 1946 HB3 PRO A 630 6.234 7.824 -8.328 1.00 0.00 H
+ATOM 1947 HG2 PRO A 630 4.844 7.126 -10.585 1.00 0.00 H
+ATOM 1948 HG3 PRO A 630 6.637 7.233 -10.545 1.00 0.00 H
+ATOM 1949 HD2 PRO A 630 4.911 4.762 -10.340 1.00 0.00 H
+ATOM 1950 HD3 PRO A 630 6.405 5.050 -11.290 1.00 0.00 H
+ATOM 1951 N ALA A 631 6.241 5.325 -5.716 1.00 0.00 N
+ATOM 1952 CA ALA A 631 5.687 4.758 -4.509 1.00 0.00 C
+ATOM 1953 C ALA A 631 5.948 5.708 -3.351 1.00 0.00 C
+ATOM 1954 O ALA A 631 7.102 5.846 -2.923 1.00 0.00 O
+ATOM 1955 CB ALA A 631 6.317 3.384 -4.267 1.00 0.00 C
+ATOM 1956 H ALA A 631 6.863 6.115 -5.608 1.00 0.00 H
+ATOM 1957 HA ALA A 631 4.615 4.663 -4.648 1.00 0.00 H
+ATOM 1958 HB1 ALA A 631 6.100 2.733 -5.114 1.00 0.00 H
+ATOM 1959 HB2 ALA A 631 7.398 3.489 -4.178 1.00 0.00 H
+ATOM 1960 HB3 ALA A 631 5.904 2.951 -3.355 1.00 0.00 H
+ATOM 1961 N VAL A 632 4.891 6.369 -2.874 1.00 0.00 N
+ATOM 1962 CA VAL A 632 4.915 6.997 -1.558 1.00 0.00 C
+ATOM 1963 C VAL A 632 5.086 5.857 -0.556 1.00 0.00 C
+ATOM 1964 O VAL A 632 4.466 4.799 -0.714 1.00 0.00 O
+ATOM 1965 CB VAL A 632 3.626 7.814 -1.313 1.00 0.00 C
+ATOM 1966 CG1 VAL A 632 3.456 8.305 0.135 1.00 0.00 C
+ATOM 1967 CG2 VAL A 632 3.590 9.058 -2.203 1.00 0.00 C
+ATOM 1968 H VAL A 632 3.979 6.160 -3.268 1.00 0.00 H
+ATOM 1969 HA VAL A 632 5.775 7.663 -1.503 1.00 0.00 H
+ATOM 1970 HB VAL A 632 2.766 7.195 -1.564 1.00 0.00 H
+ATOM 1971 HG11 VAL A 632 4.304 8.931 0.417 1.00 0.00 H
+ATOM 1972 HG12 VAL A 632 2.541 8.895 0.233 1.00 0.00 H
+ATOM 1973 HG13 VAL A 632 3.388 7.464 0.824 1.00 0.00 H
+ATOM 1974 HG21 VAL A 632 3.666 8.782 -3.254 1.00 0.00 H
+ATOM 1975 HG22 VAL A 632 2.641 9.578 -2.052 1.00 0.00 H
+ATOM 1976 HG23 VAL A 632 4.421 9.726 -1.951 1.00 0.00 H
+ATOM 1977 N VAL A 633 5.915 6.070 0.463 1.00 0.00 N
+ATOM 1978 CA VAL A 633 6.163 5.093 1.515 1.00 0.00 C
+ATOM 1979 C VAL A 633 5.695 5.698 2.832 1.00 0.00 C
+ATOM 1980 O VAL A 633 5.886 6.890 3.049 1.00 0.00 O
+ATOM 1981 CB VAL A 633 7.640 4.662 1.530 1.00 0.00 C
+ATOM 1982 CG1 VAL A 633 7.913 3.630 2.638 1.00 0.00 C
+ATOM 1983 CG2 VAL A 633 8.016 4.022 0.190 1.00 0.00 C
+ATOM 1984 H VAL A 633 6.338 6.982 0.584 1.00 0.00 H
+ATOM 1985 HA VAL A 633 5.590 4.201 1.307 1.00 0.00 H
+ATOM 1986 HB VAL A 633 8.269 5.537 1.683 1.00 0.00 H
+ATOM 1987 HG11 VAL A 633 8.946 3.295 2.589 1.00 0.00 H
+ATOM 1988 HG12 VAL A 633 7.759 4.072 3.622 1.00 0.00 H
+ATOM 1989 HG13 VAL A 633 7.257 2.767 2.517 1.00 0.00 H
+ATOM 1990 HG21 VAL A 633 9.055 3.699 0.222 1.00 0.00 H
+ATOM 1991 HG22 VAL A 633 7.363 3.168 0.001 1.00 0.00 H
+ATOM 1992 HG23 VAL A 633 7.911 4.739 -0.620 1.00 0.00 H
+ATOM 1993 N SER A 634 5.121 4.889 3.716 1.00 0.00 N
+ATOM 1994 CA SER A 634 4.670 5.292 5.033 1.00 0.00 C
+ATOM 1995 C SER A 634 5.358 4.406 6.055 1.00 0.00 C
+ATOM 1996 O SER A 634 5.160 3.188 6.039 1.00 0.00 O
+ATOM 1997 CB SER A 634 3.149 5.180 5.075 1.00 0.00 C
+ATOM 1998 OG SER A 634 2.605 5.501 6.339 1.00 0.00 O
+ATOM 1999 H SER A 634 4.925 3.940 3.428 1.00 0.00 H
+ATOM 2000 HA SER A 634 4.938 6.330 5.214 1.00 0.00 H
+ATOM 2001 HB2 SER A 634 2.760 5.887 4.345 1.00 0.00 H
+ATOM 2002 HB3 SER A 634 2.848 4.170 4.796 1.00 0.00 H
+ATOM 2003 HG SER A 634 2.755 4.764 6.964 1.00 0.00 H
+ATOM 2004 N VAL A 635 6.126 5.001 6.961 1.00 0.00 N
+ATOM 2005 CA VAL A 635 6.610 4.328 8.156 1.00 0.00 C
+ATOM 2006 C VAL A 635 5.819 4.831 9.356 1.00 0.00 C
+ATOM 2007 O VAL A 635 5.556 6.025 9.495 1.00 0.00 O
+ATOM 2008 CB VAL A 635 8.122 4.528 8.358 1.00 0.00 C
+ATOM 2009 CG1 VAL A 635 8.913 3.495 7.558 1.00 0.00 C
+ATOM 2010 CG2 VAL A 635 8.621 5.925 7.981 1.00 0.00 C
+ATOM 2011 H VAL A 635 6.198 6.013 6.952 1.00 0.00 H
+ATOM 2012 HA VAL A 635 6.423 3.257 8.067 1.00 0.00 H
+ATOM 2013 HB VAL A 635 8.347 4.362 9.412 1.00 0.00 H
+ATOM 2014 HG11 VAL A 635 8.643 2.498 7.904 1.00 0.00 H
+ATOM 2015 HG12 VAL A 635 8.697 3.593 6.494 1.00 0.00 H
+ATOM 2016 HG13 VAL A 635 9.976 3.651 7.732 1.00 0.00 H
+ATOM 2017 HG21 VAL A 635 9.672 6.001 8.240 1.00 0.00 H
+ATOM 2018 HG22 VAL A 635 8.511 6.104 6.911 1.00 0.00 H
+ATOM 2019 HG23 VAL A 635 8.057 6.672 8.540 1.00 0.00 H
+ATOM 2020 N SER A 636 5.517 3.905 10.259 1.00 0.00 N
+ATOM 2021 CA SER A 636 4.780 4.101 11.497 1.00 0.00 C
+ATOM 2022 C SER A 636 5.563 4.915 12.541 1.00 0.00 C
+ATOM 2023 O SER A 636 5.174 4.943 13.718 1.00 0.00 O
+ATOM 2024 CB SER A 636 4.391 2.714 12.025 1.00 0.00 C
+ATOM 2025 OG SER A 636 5.541 1.889 12.175 1.00 0.00 O
+ATOM 2026 H SER A 636 5.834 2.962 10.080 1.00 0.00 H
+ATOM 2027 HA SER A 636 3.866 4.653 11.266 1.00 0.00 H
+ATOM 2028 HB2 SER A 636 3.869 2.818 12.975 1.00 0.00 H
+ATOM 2029 HB3 SER A 636 3.711 2.245 11.312 1.00 0.00 H
+ATOM 2030 HG SER A 636 5.352 1.174 12.821 1.00 0.00 H
+ATOM 2031 N SER A 637 6.692 5.532 12.171 1.00 0.00 N
+ATOM 2032 CA SER A 637 7.317 6.553 12.994 1.00 0.00 C
+ATOM 2033 C SER A 637 7.910 7.665 12.120 1.00 0.00 C
+ATOM 2034 O SER A 637 8.498 7.376 11.075 1.00 0.00 O
+ATOM 2035 CB SER A 637 8.369 5.934 13.921 1.00 0.00 C
+ATOM 2036 OG SER A 637 9.081 4.868 13.308 1.00 0.00 O
+ATOM 2037 H SER A 637 6.970 5.520 11.193 1.00 0.00 H
+ATOM 2038 HA SER A 637 6.536 6.987 13.620 1.00 0.00 H
+ATOM 2039 HB2 SER A 637 9.054 6.719 14.246 1.00 0.00 H
+ATOM 2040 HB3 SER A 637 7.858 5.545 14.800 1.00 0.00 H
+ATOM 2041 HG SER A 637 8.414 4.297 12.907 1.00 0.00 H
+ATOM 2042 N PRO A 638 7.842 8.928 12.570 1.00 0.00 N
+ATOM 2043 CA PRO A 638 8.398 10.070 11.863 1.00 0.00 C
+ATOM 2044 C PRO A 638 9.916 9.981 11.824 1.00 0.00 C
+ATOM 2045 O PRO A 638 10.536 10.288 10.808 1.00 0.00 O
+ATOM 2046 CB PRO A 638 7.916 11.301 12.636 1.00 0.00 C
+ATOM 2047 CG PRO A 638 7.722 10.783 14.058 1.00 0.00 C
+ATOM 2048 CD PRO A 638 7.283 9.341 13.844 1.00 0.00 C
+ATOM 2049 HA PRO A 638 8.032 10.112 10.843 1.00 0.00 H
+ATOM 2050 HB2 PRO A 638 8.648 12.108 12.604 1.00 0.00 H
+ATOM 2051 HB3 PRO A 638 6.958 11.633 12.235 1.00 0.00 H
+ATOM 2052 HG2 PRO A 638 8.678 10.788 14.582 1.00 0.00 H
+ATOM 2053 HG3 PRO A 638 6.974 11.355 14.606 1.00 0.00 H
+ATOM 2054 HD2 PRO A 638 7.654 8.711 14.654 1.00 0.00 H
+ATOM 2055 HD3 PRO A 638 6.200 9.287 13.775 1.00 0.00 H
+ATOM 2056 N ASP A 639 10.526 9.500 12.906 1.00 0.00 N
+ATOM 2057 CA ASP A 639 11.975 9.514 13.076 1.00 0.00 C
+ATOM 2058 C ASP A 639 12.697 8.533 12.152 1.00 0.00 C
+ATOM 2059 O ASP A 639 13.917 8.583 11.999 1.00 0.00 O
+ATOM 2060 CB ASP A 639 12.290 9.189 14.535 1.00 0.00 C
+ATOM 2061 CG ASP A 639 13.601 9.855 14.924 1.00 0.00 C
+ATOM 2062 OD1 ASP A 639 13.671 11.106 14.841 1.00 0.00 O
+ATOM 2063 OD2 ASP A 639 14.580 9.152 15.244 1.00 0.00 O
+ATOM 2064 H ASP A 639 9.965 9.236 13.704 1.00 0.00 H
+ATOM 2065 HA ASP A 639 12.324 10.522 12.845 1.00 0.00 H
+ATOM 2066 HB2 ASP A 639 11.487 9.572 15.160 1.00 0.00 H
+ATOM 2067 HB3 ASP A 639 12.345 8.108 14.680 1.00 0.00 H
+ATOM 2068 N ALA A 640 11.908 7.647 11.547 1.00 0.00 N
+ATOM 2069 CA ALA A 640 12.271 6.605 10.606 1.00 0.00 C
+ATOM 2070 C ALA A 640 12.037 7.034 9.157 1.00 0.00 C
+ATOM 2071 O ALA A 640 12.659 6.437 8.283 1.00 0.00 O
+ATOM 2072 CB ALA A 640 11.471 5.329 10.900 1.00 0.00 C
+ATOM 2073 H ALA A 640 10.941 7.830 11.725 1.00 0.00 H
+ATOM 2074 HA ALA A 640 13.331 6.381 10.727 1.00 0.00 H
+ATOM 2075 HB1 ALA A 640 11.769 4.546 10.200 1.00 0.00 H
+ATOM 2076 HB2 ALA A 640 11.680 4.991 11.914 1.00 0.00 H
+ATOM 2077 HB3 ALA A 640 10.401 5.511 10.786 1.00 0.00 H
+ATOM 2078 N VAL A 641 11.207 8.054 8.865 1.00 0.00 N
+ATOM 2079 CA VAL A 641 11.151 8.620 7.508 1.00 0.00 C
+ATOM 2080 C VAL A 641 12.552 9.063 7.089 1.00 0.00 C
+ATOM 2081 O VAL A 641 12.941 8.859 5.941 1.00 0.00 O
+ATOM 2082 CB VAL A 641 10.167 9.807 7.439 1.00 0.00 C
+ATOM 2083 CG1 VAL A 641 10.127 10.508 6.071 1.00 0.00 C
+ATOM 2084 CG2 VAL A 641 8.750 9.356 7.771 1.00 0.00 C
+ATOM 2085 H VAL A 641 10.614 8.491 9.571 1.00 0.00 H
+ATOM 2086 HA VAL A 641 10.819 7.842 6.819 1.00 0.00 H
+ATOM 2087 HB VAL A 641 10.460 10.543 8.179 1.00 0.00 H
+ATOM 2088 HG11 VAL A 641 9.882 9.794 5.288 1.00 0.00 H
+ATOM 2089 HG12 VAL A 641 9.378 11.302 6.078 1.00 0.00 H
+ATOM 2090 HG13 VAL A 641 11.091 10.969 5.855 1.00 0.00 H
+ATOM 2091 HG21 VAL A 641 8.714 8.944 8.778 1.00 0.00 H
+ATOM 2092 HG22 VAL A 641 8.078 10.210 7.712 1.00 0.00 H
+ATOM 2093 HG23 VAL A 641 8.426 8.598 7.061 1.00 0.00 H
+ATOM 2094 N THR A 642 13.309 9.614 8.036 1.00 0.00 N
+ATOM 2095 CA THR A 642 14.666 10.086 7.918 1.00 0.00 C
+ATOM 2096 C THR A 642 15.554 8.898 7.562 1.00 0.00 C
+ATOM 2097 O THR A 642 16.243 8.916 6.544 1.00 0.00 O
+ATOM 2098 CB THR A 642 15.020 10.660 9.307 1.00 0.00 C
+ATOM 2099 OG1 THR A 642 14.074 11.614 9.755 1.00 0.00 O
+ATOM 2100 CG2 THR A 642 16.399 11.310 9.317 1.00 0.00 C
+ATOM 2101 H THR A 642 12.994 9.621 8.990 1.00 0.00 H
+ATOM 2102 HA THR A 642 14.746 10.837 7.122 1.00 0.00 H
+ATOM 2103 HB THR A 642 14.970 9.840 10.035 1.00 0.00 H
+ATOM 2104 HG1 THR A 642 14.420 11.933 10.605 1.00 0.00 H
+ATOM 2105 HG21 THR A 642 16.447 12.100 8.568 1.00 0.00 H
+ATOM 2106 HG22 THR A 642 16.619 11.732 10.298 1.00 0.00 H
+ATOM 2107 HG23 THR A 642 17.155 10.563 9.087 1.00 0.00 H
+ATOM 2108 N THR A 643 15.503 7.848 8.383 1.00 0.00 N
+ATOM 2109 CA THR A 643 16.334 6.676 8.237 1.00 0.00 C
+ATOM 2110 C THR A 643 16.095 6.020 6.872 1.00 0.00 C
+ATOM 2111 O THR A 643 17.038 5.767 6.122 1.00 0.00 O
+ATOM 2112 CB THR A 643 16.032 5.736 9.414 1.00 0.00 C
+ATOM 2113 OG1 THR A 643 16.108 6.457 10.629 1.00 0.00 O
+ATOM 2114 CG2 THR A 643 16.968 4.531 9.469 1.00 0.00 C
+ATOM 2115 H THR A 643 14.971 7.877 9.241 1.00 0.00 H
+ATOM 2116 HA THR A 643 17.355 7.033 8.300 1.00 0.00 H
+ATOM 2117 HB THR A 643 15.011 5.367 9.314 1.00 0.00 H
+ATOM 2118 HG1 THR A 643 17.057 6.605 10.819 1.00 0.00 H
+ATOM 2119 HG21 THR A 643 18.010 4.846 9.470 1.00 0.00 H
+ATOM 2120 HG22 THR A 643 16.765 3.935 10.359 1.00 0.00 H
+ATOM 2121 HG23 THR A 643 16.800 3.913 8.592 1.00 0.00 H
+ATOM 2122 N TYR A 644 14.824 5.800 6.531 1.00 0.00 N
+ATOM 2123 CA TYR A 644 14.390 5.190 5.293 1.00 0.00 C
+ATOM 2124 C TYR A 644 14.866 6.001 4.085 1.00 0.00 C
+ATOM 2125 O TYR A 644 15.481 5.450 3.172 1.00 0.00 O
+ATOM 2126 CB TYR A 644 12.867 5.047 5.347 1.00 0.00 C
+ATOM 2127 CG TYR A 644 12.327 4.235 4.201 1.00 0.00 C
+ATOM 2128 CD1 TYR A 644 12.010 4.858 2.986 1.00 0.00 C
+ATOM 2129 CD2 TYR A 644 12.196 2.846 4.336 1.00 0.00 C
+ATOM 2130 CE1 TYR A 644 11.564 4.093 1.899 1.00 0.00 C
+ATOM 2131 CE2 TYR A 644 11.766 2.067 3.253 1.00 0.00 C
+ATOM 2132 CZ TYR A 644 11.471 2.688 2.017 1.00 0.00 C
+ATOM 2133 OH TYR A 644 11.073 1.943 0.950 1.00 0.00 O
+ATOM 2134 H TYR A 644 14.088 6.063 7.176 1.00 0.00 H
+ATOM 2135 HA TYR A 644 14.827 4.196 5.238 1.00 0.00 H
+ATOM 2136 HB2 TYR A 644 12.588 4.553 6.278 1.00 0.00 H
+ATOM 2137 HB3 TYR A 644 12.401 6.032 5.348 1.00 0.00 H
+ATOM 2138 HD1 TYR A 644 12.116 5.928 2.883 1.00 0.00 H
+ATOM 2139 HD2 TYR A 644 12.448 2.375 5.271 1.00 0.00 H
+ATOM 2140 HE1 TYR A 644 11.296 4.607 0.990 1.00 0.00 H
+ATOM 2141 HE2 TYR A 644 11.672 1.000 3.396 1.00 0.00 H
+ATOM 2142 HH TYR A 644 11.045 2.480 0.153 1.00 0.00 H
+ATOM 2143 N ASN A 645 14.633 7.319 4.101 1.00 0.00 N
+ATOM 2144 CA ASN A 645 15.126 8.247 3.073 1.00 0.00 C
+ATOM 2145 C ASN A 645 16.636 8.137 2.930 1.00 0.00 C
+ATOM 2146 O ASN A 645 17.172 8.178 1.822 1.00 0.00 O
+ATOM 2147 CB ASN A 645 14.811 9.706 3.460 1.00 0.00 C
+ATOM 2148 CG ASN A 645 13.583 10.234 2.755 1.00 0.00 C
+ATOM 2149 OD1 ASN A 645 13.648 10.735 1.635 1.00 0.00 O
+ATOM 2150 ND2 ASN A 645 12.434 10.132 3.384 1.00 0.00 N
+ATOM 2151 H ASN A 645 14.152 7.692 4.914 1.00 0.00 H
+ATOM 2152 HA ASN A 645 14.675 7.982 2.108 1.00 0.00 H
+ATOM 2153 HB2 ASN A 645 14.715 9.810 4.538 1.00 0.00 H
+ATOM 2154 HB3 ASN A 645 15.643 10.361 3.210 1.00 0.00 H
+ATOM 2155 HD21 ASN A 645 12.424 9.723 4.315 1.00 0.00 H
+ATOM 2156 HD22 ASN A 645 11.617 10.545 2.950 1.00 0.00 H
+ATOM 2157 N GLY A 646 17.313 7.990 4.064 1.00 0.00 N
+ATOM 2158 CA GLY A 646 18.738 7.818 4.156 1.00 0.00 C
+ATOM 2159 C GLY A 646 19.193 6.606 3.366 1.00 0.00 C
+ATOM 2160 O GLY A 646 20.170 6.693 2.621 1.00 0.00 O
+ATOM 2161 H GLY A 646 16.790 7.986 4.931 1.00 0.00 H
+ATOM 2162 HA2 GLY A 646 19.229 8.714 3.778 1.00 0.00 H
+ATOM 2163 HA3 GLY A 646 18.992 7.663 5.202 1.00 0.00 H
+ATOM 2164 N TYR A 647 18.525 5.462 3.521 1.00 0.00 N
+ATOM 2165 CA TYR A 647 18.858 4.279 2.740 1.00 0.00 C
+ATOM 2166 C TYR A 647 18.627 4.553 1.263 1.00 0.00 C
+ATOM 2167 O TYR A 647 19.470 4.177 0.453 1.00 0.00 O
+ATOM 2168 CB TYR A 647 18.035 3.067 3.175 1.00 0.00 C
+ATOM 2169 CG TYR A 647 18.146 2.704 4.639 1.00 0.00 C
+ATOM 2170 CD1 TYR A 647 19.403 2.599 5.269 1.00 0.00 C
+ATOM 2171 CD2 TYR A 647 16.975 2.425 5.360 1.00 0.00 C
+ATOM 2172 CE1 TYR A 647 19.487 2.215 6.618 1.00 0.00 C
+ATOM 2173 CE2 TYR A 647 17.057 2.044 6.705 1.00 0.00 C
+ATOM 2174 CZ TYR A 647 18.308 1.923 7.341 1.00 0.00 C
+ATOM 2175 OH TYR A 647 18.354 1.488 8.628 1.00 0.00 O
+ATOM 2176 H TYR A 647 17.730 5.431 4.152 1.00 0.00 H
+ATOM 2177 HA TYR A 647 19.914 4.051 2.878 1.00 0.00 H
+ATOM 2178 HB2 TYR A 647 16.990 3.261 2.934 1.00 0.00 H
+ATOM 2179 HB3 TYR A 647 18.351 2.205 2.586 1.00 0.00 H
+ATOM 2180 HD1 TYR A 647 20.318 2.757 4.717 1.00 0.00 H
+ATOM 2181 HD2 TYR A 647 16.012 2.453 4.875 1.00 0.00 H
+ATOM 2182 HE1 TYR A 647 20.457 2.099 7.080 1.00 0.00 H
+ATOM 2183 HE2 TYR A 647 16.164 1.809 7.248 1.00 0.00 H
+ATOM 2184 HH TYR A 647 19.245 1.145 8.861 1.00 0.00 H
+ATOM 2185 N LEU A 648 17.525 5.226 0.911 1.00 0.00 N
+ATOM 2186 CA LEU A 648 17.184 5.488 -0.490 1.00 0.00 C
+ATOM 2187 C LEU A 648 18.194 6.422 -1.142 1.00 0.00 C
+ATOM 2188 O LEU A 648 18.348 6.438 -2.357 1.00 0.00 O
+ATOM 2189 CB LEU A 648 15.779 6.091 -0.656 1.00 0.00 C
+ATOM 2190 CG LEU A 648 14.587 5.228 -0.199 1.00 0.00 C
+ATOM 2191 CD1 LEU A 648 13.365 5.545 -1.060 1.00 0.00 C
+ATOM 2192 CD2 LEU A 648 14.801 3.721 -0.309 1.00 0.00 C
+ATOM 2193 H LEU A 648 16.912 5.550 1.650 1.00 0.00 H
+ATOM 2194 HA LEU A 648 17.226 4.548 -1.029 1.00 0.00 H
+ATOM 2195 HB2 LEU A 648 15.741 7.041 -0.121 1.00 0.00 H
+ATOM 2196 HB3 LEU A 648 15.661 6.314 -1.719 1.00 0.00 H
+ATOM 2197 HG LEU A 648 14.363 5.472 0.837 1.00 0.00 H
+ATOM 2198 HD11 LEU A 648 12.516 4.941 -0.757 1.00 0.00 H
+ATOM 2199 HD12 LEU A 648 13.112 6.600 -0.965 1.00 0.00 H
+ATOM 2200 HD13 LEU A 648 13.591 5.300 -2.098 1.00 0.00 H
+ATOM 2201 HD21 LEU A 648 15.690 3.435 0.244 1.00 0.00 H
+ATOM 2202 HD22 LEU A 648 13.943 3.204 0.116 1.00 0.00 H
+ATOM 2203 HD23 LEU A 648 14.926 3.427 -1.346 1.00 0.00 H
+ATOM 2204 N THR A 649 18.873 7.228 -0.342 1.00 0.00 N
+ATOM 2205 CA THR A 649 19.908 8.120 -0.813 1.00 0.00 C
+ATOM 2206 C THR A 649 21.251 7.376 -0.886 1.00 0.00 C
+ATOM 2207 O THR A 649 22.041 7.620 -1.795 1.00 0.00 O
+ATOM 2208 CB THR A 649 19.914 9.325 0.135 1.00 0.00 C
+ATOM 2209 OG1 THR A 649 18.613 9.891 0.159 1.00 0.00 O
+ATOM 2210 CG2 THR A 649 20.887 10.414 -0.295 1.00 0.00 C
+ATOM 2211 H THR A 649 18.621 7.251 0.636 1.00 0.00 H
+ATOM 2212 HA THR A 649 19.655 8.472 -1.815 1.00 0.00 H
+ATOM 2213 HB THR A 649 20.179 8.994 1.140 1.00 0.00 H
+ATOM 2214 HG1 THR A 649 18.054 9.319 0.711 1.00 0.00 H
+ATOM 2215 HG21 THR A 649 21.883 9.992 -0.423 1.00 0.00 H
+ATOM 2216 HG22 THR A 649 20.558 10.864 -1.229 1.00 0.00 H
+ATOM 2217 HG23 THR A 649 20.932 11.175 0.483 1.00 0.00 H
+ATOM 2218 N SER A 650 21.517 6.443 0.031 1.00 0.00 N
+ATOM 2219 CA SER A 650 22.857 5.918 0.282 1.00 0.00 C
+ATOM 2220 C SER A 650 23.130 4.586 -0.433 1.00 0.00 C
+ATOM 2221 O SER A 650 24.273 4.130 -0.434 1.00 0.00 O
+ATOM 2222 CB SER A 650 23.020 5.821 1.805 1.00 0.00 C
+ATOM 2223 OG SER A 650 24.349 5.637 2.249 1.00 0.00 O
+ATOM 2224 H SER A 650 20.789 6.218 0.701 1.00 0.00 H
+ATOM 2225 HA SER A 650 23.586 6.644 -0.082 1.00 0.00 H
+ATOM 2226 HB2 SER A 650 22.670 6.756 2.241 1.00 0.00 H
+ATOM 2227 HB3 SER A 650 22.402 5.004 2.181 1.00 0.00 H
+ATOM 2228 HG SER A 650 24.466 4.669 2.399 1.00 0.00 H
+ATOM 2229 N SER A 651 22.134 3.942 -1.037 1.00 0.00 N
+ATOM 2230 CA SER A 651 22.260 2.657 -1.709 1.00 0.00 C
+ATOM 2231 C SER A 651 21.316 2.759 -2.892 1.00 0.00 C
+ATOM 2232 O SER A 651 21.763 2.759 -4.058 1.00 0.00 O
+ATOM 2233 CB SER A 651 21.912 1.563 -0.681 1.00 0.00 C
+ATOM 2234 OG SER A 651 22.171 0.240 -1.110 1.00 0.00 O
+ATOM 2235 H SER A 651 21.197 4.322 -1.050 1.00 0.00 H
+ATOM 2236 HA SER A 651 23.280 2.520 -2.074 1.00 0.00 H
+ATOM 2237 HB2 SER A 651 22.502 1.740 0.218 1.00 0.00 H
+ATOM 2238 HB3 SER A 651 20.862 1.645 -0.411 1.00 0.00 H
+ATOM 2239 HG SER A 651 23.140 0.106 -1.162 1.00 0.00 H
Added: SwiftApps/modFTDock/Scoring/4TRA.pdb
===================================================================
--- SwiftApps/modFTDock/Scoring/4TRA.pdb (rev 0)
+++ SwiftApps/modFTDock/Scoring/4TRA.pdb 2011-07-15 20:30:00 UTC (rev 4825)
@@ -0,0 +1,1652 @@
+ATOM 1 OP3 G A 1 23.310 31.674 59.557 0.55 43.73 O
+ATOM 2 P G A 1 23.956 32.681 60.656 0.55 44.71 P
+ATOM 3 OP1 G A 1 25.382 32.748 60.220 0.55 44.92 O
+ATOM 4 OP2 G A 1 23.290 34.019 60.607 0.55 42.38 O
+ATOM 5 O5' G A 1 23.713 31.950 62.046 0.86 35.51 O
+ATOM 6 C5' G A 1 23.820 32.681 63.290 1.00 33.29 C
+ATOM 7 C4' G A 1 23.204 31.787 64.357 1.00 34.35 C
+ATOM 8 O4' G A 1 21.841 32.113 64.535 1.00 30.75 O
+ATOM 9 C3' G A 1 23.197 30.297 63.985 1.00 35.86 C
+ATOM 10 O3' G A 1 24.453 29.684 64.244 1.00 40.42 O
+ATOM 11 C2' G A 1 22.058 29.763 64.858 1.00 31.69 C
+ATOM 12 O2' G A 1 22.581 29.549 66.183 1.00 28.80 O
+ATOM 13 C1' G A 1 21.092 30.921 64.842 1.00 29.94 C
+ATOM 14 N9 G A 1 20.026 30.758 63.840 1.00 27.08 N
+ATOM 15 C8 G A 1 20.056 31.118 62.515 1.00 28.25 C
+ATOM 16 N7 G A 1 18.947 30.859 61.868 1.00 28.56 N
+ATOM 17 C5 G A 1 18.127 30.286 62.838 1.00 25.31 C
+ATOM 18 C6 G A 1 16.802 29.785 62.773 1.00 26.75 C
+ATOM 19 O6 G A 1 16.065 29.757 61.787 1.00 25.45 O
+ATOM 20 N1 G A 1 16.322 29.291 63.953 1.00 25.73 N
+ATOM 21 C2 G A 1 17.065 29.279 65.101 1.00 25.07 C
+ATOM 22 N2 G A 1 16.455 28.762 66.167 1.00 26.29 N
+ATOM 23 N3 G A 1 18.314 29.729 65.214 1.00 23.17 N
+ATOM 24 C4 G A 1 18.780 30.218 64.050 1.00 23.19 C
+ATOM 25 P C A 2 25.056 28.470 63.387 1.00 49.37 P
+ATOM 26 OP1 C A 2 26.485 28.740 63.000 1.00 43.76 O
+ATOM 27 OP2 C A 2 24.150 28.397 62.208 1.00 44.42 O
+ATOM 28 O5' C A 2 24.952 27.239 64.406 1.00 39.87 O
+ATOM 29 C5' C A 2 24.243 26.058 63.953 1.00 37.41 C
+ATOM 30 C4' C A 2 23.111 25.799 64.923 1.00 37.41 C
+ATOM 31 O4' C A 2 22.158 26.851 64.939 1.00 36.47 O
+ATOM 32 C3' C A 2 22.288 24.557 64.535 1.00 37.29 C
+ATOM 33 O3' C A 2 22.974 23.343 64.890 1.00 40.61 O
+ATOM 34 C2' C A 2 20.982 24.821 65.262 1.00 36.80 C
+ATOM 35 O2' C A 2 21.178 24.461 66.636 1.00 39.77 O
+ATOM 36 C1' C A 2 20.849 26.311 65.149 1.00 35.09 C
+ATOM 37 N1 C A 2 19.989 26.631 63.985 1.00 32.55 N
+ATOM 38 C2 C A 2 18.823 25.912 63.808 1.00 31.22 C
+ATOM 39 O2 C A 2 18.490 25.024 64.583 1.00 29.90 O
+ATOM 40 N3 C A 2 18.047 26.215 62.725 1.00 30.98 N
+ATOM 41 C4 C A 2 18.394 27.188 61.836 1.00 30.39 C
+ATOM 42 N4 C A 2 17.594 27.441 60.801 1.00 29.45 N
+ATOM 43 C5 C A 2 19.596 27.924 62.030 1.00 30.32 C
+ATOM 44 C6 C A 2 20.342 27.610 63.096 1.00 30.25 C
+ATOM 45 P G A 3 23.497 22.443 63.630 1.00 48.40 P
+ATOM 46 OP1 G A 3 24.793 21.774 63.953 1.00 40.08 O
+ATOM 47 OP2 G A 3 23.587 23.444 62.531 1.00 39.94 O
+ATOM 48 O5' G A 3 22.301 21.381 63.484 1.00 37.08 O
+ATOM 49 C5' G A 3 21.642 21.077 64.729 1.00 35.89 C
+ATOM 50 C4' G A 3 20.216 20.672 64.438 1.00 37.55 C
+ATOM 51 O4' G A 3 19.406 21.813 64.163 1.00 33.08 O
+ATOM 52 C3' G A 3 20.056 19.784 63.193 1.00 35.85 C
+ATOM 53 O3' G A 3 20.386 18.429 63.468 1.00 36.61 O
+ATOM 54 C2' G A 3 18.597 20.014 62.822 1.00 33.59 C
+ATOM 55 O2' G A 3 17.814 19.177 63.662 1.00 32.67 O
+ATOM 56 C1' G A 3 18.400 21.482 63.193 1.00 32.42 C
+ATOM 57 N9 G A 3 18.470 22.319 61.981 1.00 32.53 N
+ATOM 58 C8 G A 3 19.446 23.180 61.561 1.00 32.25 C
+ATOM 59 N7 G A 3 19.177 23.775 60.430 1.00 30.37 N
+ATOM 60 C5 G A 3 17.927 23.275 60.074 1.00 29.28 C
+ATOM 61 C6 G A 3 17.095 23.534 58.959 1.00 29.92 C
+ATOM 62 O6 G A 3 17.308 24.293 58.005 1.00 28.16 O
+ATOM 63 N1 G A 3 15.912 22.837 58.959 1.00 30.27 N
+ATOM 64 C2 G A 3 15.579 21.971 59.961 1.00 33.02 C
+ATOM 65 N2 G A 3 14.390 21.369 59.799 1.00 35.92 N
+ATOM 66 N3 G A 3 16.319 21.690 61.028 1.00 28.38 N
+ATOM 67 C4 G A 3 17.478 22.381 61.028 1.00 30.04 C
+ATOM 68 P G A 4 21.215 17.513 62.450 1.00 47.69 P
+ATOM 69 OP1 G A 4 22.161 16.596 63.177 1.00 46.13 O
+ATOM 70 OP2 G A 4 21.925 18.474 61.561 1.00 43.36 O
+ATOM 71 O5' G A 4 20.059 16.681 61.723 1.00 37.46 O
+ATOM 72 C5' G A 4 20.173 16.534 60.284 1.00 31.08 C
+ATOM 73 C4' G A 4 18.767 16.534 59.719 1.00 25.17 C
+ATOM 74 O4' G A 4 18.144 17.788 59.929 1.00 22.23 O
+ATOM 75 C3' G A 4 18.707 16.321 58.215 1.00 25.88 C
+ATOM 76 O3' G A 4 18.850 14.949 57.828 1.00 27.06 O
+ATOM 77 C2' G A 4 17.348 16.917 57.860 1.00 26.15 C
+ATOM 78 O2' G A 4 16.378 15.916 58.167 1.00 27.28 O
+ATOM 79 C1' G A 4 17.278 18.075 58.846 1.00 23.13 C
+ATOM 80 N9 G A 4 17.694 19.289 58.119 1.00 19.06 N
+ATOM 81 C8 G A 4 18.750 20.115 58.393 1.00 19.00 C
+ATOM 82 N7 G A 4 18.873 21.111 57.553 1.00 17.81 N
+ATOM 83 C5 G A 4 17.817 20.925 56.664 1.00 18.66 C
+ATOM 84 C6 G A 4 17.408 21.678 55.516 1.00 20.16 C
+ATOM 85 O6 G A 4 17.927 22.702 55.064 1.00 19.43 O
+ATOM 86 N1 G A 4 16.305 21.172 54.886 1.00 18.14 N
+ATOM 87 C2 G A 4 15.666 20.048 55.306 1.00 17.90 C
+ATOM 88 N2 G A 4 14.603 19.694 54.579 1.00 19.56 N
+ATOM 89 N3 G A 4 16.005 19.312 56.357 1.00 16.17 N
+ATOM 90 C4 G A 4 17.088 19.806 56.987 1.00 16.65 C
+ATOM 91 P A A 5 20.089 14.640 56.809 1.00 28.41 P
+ATOM 92 OP1 A A 5 20.439 13.184 56.906 1.00 32.32 O
+ATOM 93 OP2 A A 5 21.169 15.505 57.343 1.00 26.68 O
+ATOM 94 O5' A A 5 19.526 15.016 55.371 1.00 16.70 O
+ATOM 95 C5' A A 5 18.627 14.066 54.724 1.00 16.63 C
+ATOM 96 C4' A A 5 17.628 14.887 53.949 1.00 16.22 C
+ATOM 97 O4' A A 5 17.358 16.090 54.644 1.00 17.33 O
+ATOM 98 C3' A A 5 18.124 15.337 52.575 1.00 17.89 C
+ATOM 99 O3' A A 5 18.011 14.330 51.573 1.00 15.55 O
+ATOM 100 C2' A A 5 17.248 16.562 52.300 1.00 13.53 C
+ATOM 101 O2' A A 5 16.005 16.073 51.815 1.00 11.51 O
+ATOM 102 C1' A A 5 17.131 17.130 53.690 1.00 14.94 C
+ATOM 103 N9 A A 5 18.161 18.170 53.836 1.00 14.40 N
+ATOM 104 C8 A A 5 19.193 18.181 54.757 1.00 11.88 C
+ATOM 105 N7 A A 5 19.963 19.233 54.660 1.00 12.69 N
+ATOM 106 C5 A A 5 19.400 19.958 53.609 1.00 13.64 C
+ATOM 107 C6 A A 5 19.770 21.195 53.028 1.00 17.30 C
+ATOM 108 N6 A A 5 20.812 21.909 53.415 1.00 15.64 N
+ATOM 109 N1 A A 5 18.967 21.605 51.993 1.00 18.26 N
+ATOM 110 C2 A A 5 17.894 20.875 51.589 1.00 17.81 C
+ATOM 111 N3 A A 5 17.491 19.705 52.090 1.00 14.01 N
+ATOM 112 C4 A A 5 18.291 19.312 53.108 1.00 12.30 C
+ATOM 113 P U A 6 19.410 13.853 50.910 1.00 17.85 P
+ATOM 114 OP1 U A 6 19.257 12.441 50.425 1.00 23.85 O
+ATOM 115 OP2 U A 6 20.412 14.027 51.993 1.00 8.17 O
+ATOM 116 O5' U A 6 19.583 14.865 49.682 1.00 6.78 O
+ATOM 117 C5' U A 6 18.500 14.893 48.728 1.00 5.01 C
+ATOM 118 C4' U A 6 18.600 16.219 48.001 1.00 6.97 C
+ATOM 119 O4' U A 6 18.487 17.299 48.922 1.00 7.21 O
+ATOM 120 C3' U A 6 19.939 16.444 47.306 1.00 8.35 C
+ATOM 121 O3' U A 6 20.003 15.753 46.062 1.00 6.95 O
+ATOM 122 C2' U A 6 19.979 17.962 47.193 1.00 1.29 C
+ATOM 123 O2' U A 6 19.200 18.305 46.062 1.00 1.41 O
+ATOM 124 C1' U A 6 19.303 18.401 48.486 1.00 2.21 C
+ATOM 125 N1 U A 6 20.302 18.778 49.504 1.00 1.08 N
+ATOM 126 C2 U A 6 21.115 19.862 49.197 1.00 2.33 C
+ATOM 127 O2 U A 6 20.999 20.470 48.130 1.00 0.00 O
+ATOM 128 N3 U A 6 22.051 20.234 50.118 1.00 0.00 N
+ATOM 129 C4 U A 6 22.201 19.581 51.298 1.00 0.00 C
+ATOM 130 O4 U A 6 23.094 20.003 52.090 1.00 1.46 O
+ATOM 131 C5 U A 6 21.355 18.468 51.605 1.00 2.95 C
+ATOM 132 C6 U A 6 20.442 18.114 50.684 1.00 0.36 C
+ATOM 133 P U A 7 21.388 15.078 45.577 1.00 8.92 P
+ATOM 134 OP1 U A 7 21.145 14.027 44.542 1.00 13.89 O
+ATOM 135 OP2 U A 7 21.998 14.550 46.821 1.00 12.32 O
+ATOM 136 O5' U A 7 22.125 16.360 44.946 1.00 15.19 O
+ATOM 137 C5' U A 7 21.368 17.018 43.896 1.00 10.20 C
+ATOM 138 C4' U A 7 22.038 18.328 43.557 1.00 3.40 C
+ATOM 139 O4' U A 7 22.174 19.126 44.736 1.00 3.48 O
+ATOM 140 C3' U A 7 23.470 18.181 42.991 1.00 0.00 C
+ATOM 141 O3' U A 7 23.693 19.160 41.940 1.00 3.91 O
+ATOM 142 C2' U A 7 24.336 18.440 44.203 1.00 0.00 C
+ATOM 143 O2' U A 7 25.595 18.896 43.815 1.00 0.00 O
+ATOM 144 C1' U A 7 23.547 19.486 44.946 1.00 0.00 C
+ATOM 145 N1 U A 7 23.937 19.486 46.353 1.00 0.00 N
+ATOM 146 C2 U A 7 24.699 20.543 46.821 1.00 0.00 C
+ATOM 147 O2 U A 7 25.036 21.448 46.062 1.00 0.00 O
+ATOM 148 N3 U A 7 25.056 20.543 48.130 1.00 0.00 N
+ATOM 149 C4 U A 7 24.689 19.548 48.987 1.00 0.00 C
+ATOM 150 O4 U A 7 25.059 19.615 50.199 1.00 0.00 O
+ATOM 151 C5 U A 7 23.903 18.463 48.502 1.00 4.66 C
+ATOM 152 C6 U A 7 23.560 18.479 47.193 1.00 1.45 C
+ATOM 153 P U A 8 23.384 18.637 40.437 1.00 6.43 P
+ATOM 154 OP1 U A 8 23.787 19.683 39.435 1.00 10.99 O
+ATOM 155 OP2 U A 8 21.938 18.333 40.502 1.00 10.90 O
+ATOM 156 O5' U A 8 24.333 17.355 40.292 1.00 6.66 O
+ATOM 157 C5' U A 8 25.705 17.591 39.872 1.00 3.30 C
+ATOM 158 C4' U A 8 26.118 16.439 38.999 1.00 0.00 C
+ATOM 159 O4' U A 8 25.945 15.224 39.710 1.00 0.00 O
+ATOM 160 C3' U A 8 25.286 16.264 37.738 1.00 0.00 C
+ATOM 161 O3' U A 8 25.662 17.102 36.639 1.00 0.00 O
+ATOM 162 C2' U A 8 25.519 14.780 37.431 1.00 0.00 C
+ATOM 163 O2' U A 8 26.795 14.730 36.801 1.00 0.00 O
+ATOM 164 C1' U A 8 25.572 14.184 38.805 1.00 0.00 C
+ATOM 165 N1 U A 8 24.240 13.673 39.177 1.00 0.25 N
+ATOM 166 C2 U A 8 23.733 12.576 38.498 1.00 0.00 C
+ATOM 167 O2 U A 8 24.380 12.031 37.609 1.00 0.53 O
+ATOM 168 N3 U A 8 22.498 12.127 38.870 1.00 0.00 N
+ATOM 169 C4 U A 8 21.765 12.717 39.855 1.00 2.78 C
+ATOM 170 O4 U A 8 20.622 12.228 40.114 1.00 1.19 O
+ATOM 171 C5 U A 8 22.298 13.853 40.534 1.00 0.41 C
+ATOM 172 C6 U A 8 23.514 14.280 40.163 1.00 0.00 C
+ATOM 173 P A A 9 24.553 17.681 35.621 1.00 0.00 P
+ATOM 174 OP1 A A 9 24.400 19.165 35.815 1.00 12.98 O
+ATOM 175 OP2 A A 9 23.317 16.950 35.977 1.00 6.30 O
+ATOM 176 O5' A A 9 25.092 17.361 34.167 1.00 0.00 O
+ATOM 177 C5' A A 9 26.245 18.092 33.649 1.00 3.31 C
+ATOM 178 C4' A A 9 25.962 18.198 32.162 1.00 4.34 C
+ATOM 179 O4' A A 9 25.992 16.894 31.597 1.00 6.42 O
+ATOM 180 C3' A A 9 24.583 18.789 31.855 1.00 6.32 C
+ATOM 181 O3' A A 9 24.616 19.576 30.643 1.00 10.36 O
+ATOM 182 C2' A A 9 23.743 17.546 31.645 1.00 3.67 C
+ATOM 183 O2' A A 9 22.611 17.799 30.869 1.00 7.65 O
+ATOM 184 C1' A A 9 24.739 16.619 30.966 1.00 2.02 C
+ATOM 185 N9 A A 9 24.223 15.247 31.128 1.00 0.81 N
+ATOM 186 C8 A A 9 23.204 14.814 31.936 1.00 1.30 C
+ATOM 187 N7 A A 9 22.961 13.532 31.839 1.00 2.89 N
+ATOM 188 C5 A A 9 23.877 13.088 30.886 1.00 3.22 C
+ATOM 189 C6 A A 9 24.120 11.806 30.352 1.00 1.42 C
+ATOM 190 N6 A A 9 23.454 10.715 30.692 1.00 0.00 N
+ATOM 191 N1 A A 9 25.122 11.750 29.415 1.00 5.85 N
+ATOM 192 C2 A A 9 25.825 12.858 29.059 1.00 5.07 C
+ATOM 193 N3 A A 9 25.649 14.094 29.528 1.00 5.13 N
+ATOM 194 C4 A A 9 24.656 14.139 30.449 1.00 5.09 C
+ATOM 195 P G A 10 25.129 21.094 30.562 1.00 9.42 P
+ATOM 196 OP1 G A 10 25.615 21.420 29.172 1.00 0.00 O
+ATOM 197 OP2 G A 10 26.212 21.150 31.580 1.00 8.19 O
+ATOM 198 O5' G A 10 23.873 22.004 30.934 1.00 7.35 O
+ATOM 199 C5' G A 10 23.823 23.343 30.320 1.00 13.13 C
+ATOM 200 C4' G A 10 22.401 23.517 29.835 1.00 7.32 C
+ATOM 201 O4' G A 10 22.244 22.960 28.558 1.00 3.56 O
+ATOM 202 C3' G A 10 21.385 22.786 30.724 1.00 2.05 C
+ATOM 203 O3' G A 10 21.085 23.534 31.872 1.00 0.00 O
+ATOM 204 C2' G A 10 20.216 22.612 29.754 1.00 7.47 C
+ATOM 205 O2' G A 10 19.506 23.843 29.770 1.00 12.40 O
+ATOM 206 C1' G A 10 20.929 22.387 28.445 1.00 9.59 C
+ATOM 207 N9 G A 10 21.072 20.959 28.122 1.00 12.51 N
+ATOM 208 C8 G A 10 22.258 20.301 27.863 1.00 10.30 C
+ATOM 209 N7 G A 10 22.108 19.031 27.605 1.00 11.42 N
+ATOM 210 C5 G A 10 20.732 18.834 27.685 1.00 13.46 C
+ATOM 211 C6 G A 10 19.936 17.670 27.508 1.00 15.52 C
+ATOM 212 O6 G A 10 20.339 16.534 27.233 1.00 12.63 O
+ATOM 213 N1 G A 10 18.590 17.861 27.685 1.00 16.10 N
+ATOM 214 C2 G A 10 18.074 19.081 27.993 1.00 16.77 C
+ATOM 215 N2 G A 10 16.738 19.160 28.138 1.00 12.38 N
+ATOM 216 CM2 G A 10 16.382 20.543 28.461 1.00 11.08 C
+ATOM 217 N3 G A 10 18.767 20.211 28.170 1.00 14.81 N
+ATOM 218 C4 G A 10 20.089 20.009 28.009 1.00 11.85 C
+ATOM 219 P C A 11 20.382 23.106 33.229 1.00 4.01 P
+ATOM 220 OP1 C A 11 20.229 24.259 34.199 1.00 1.00 O
+ATOM 221 OP2 C A 11 21.252 22.055 33.827 1.00 7.38 O
+ATOM 222 O5' C A 11 18.950 22.640 32.728 1.00 6.52 O
+ATOM 223 C5' C A 11 17.847 23.590 32.906 1.00 11.92 C
+ATOM 224 C4' C A 11 16.622 22.702 32.857 1.00 6.89 C
+ATOM 225 O4' C A 11 16.638 21.959 31.661 1.00 11.16 O
+ATOM 226 C3' C A 11 16.582 21.667 33.972 1.00 5.09 C
+ATOM 227 O3' C A 11 16.095 22.241 35.168 1.00 6.14 O
+ATOM 228 C2' C A 11 15.689 20.599 33.342 1.00 11.39 C
+ATOM 229 O2' C A 11 14.340 21.026 33.520 1.00 16.75 O
+ATOM 230 C1' C A 11 16.082 20.655 31.888 1.00 10.47 C
+ATOM 231 N1 C A 11 17.088 19.638 31.548 1.00 13.53 N
+ATOM 232 C2 C A 11 16.632 18.356 31.306 1.00 16.96 C
+ATOM 233 O2 C A 11 15.432 18.086 31.419 1.00 14.24 O
+ATOM 234 N3 C A 11 17.554 17.406 30.966 1.00 20.48 N
+ATOM 235 C4 C A 11 18.883 17.692 30.853 1.00 16.84 C
+ATOM 236 N4 C A 11 19.723 16.709 30.530 1.00 14.05 N
+ATOM 237 C5 C A 11 19.340 19.014 31.096 1.00 13.92 C
+ATOM 238 C6 C A 11 18.417 19.936 31.419 1.00 13.87 C
+ATOM 239 P U A 12 15.822 21.420 36.510 1.00 6.00 P
+ATOM 240 OP1 U A 12 14.950 22.162 37.480 1.00 11.43 O
+ATOM 241 OP2 U A 12 17.191 21.223 37.060 1.00 6.75 O
+ATOM 242 O5' U A 12 15.089 20.093 36.025 1.00 6.44 O
+ATOM 243 C5' U A 12 13.660 19.952 36.203 1.00 6.76 C
+ATOM 244 C4' U A 12 13.377 18.468 36.268 1.00 7.30 C
+ATOM 245 O4' U A 12 13.834 17.844 35.088 1.00 6.64 O
+ATOM 246 C3' U A 12 14.107 17.732 37.383 1.00 4.70 C
+ATOM 247 O3' U A 12 13.444 17.839 38.643 1.00 3.80 O
+ATOM 248 C2' U A 12 14.130 16.298 36.849 1.00 7.59 C
+ATOM 249 O2' U A 12 12.848 15.759 37.156 1.00 7.28 O
+ATOM 250 C1' U A 12 14.310 16.512 35.379 1.00 13.71 C
+ATOM 251 N1 U A 12 15.719 16.388 34.958 1.00 20.72 N
+ATOM 252 C2 U A 12 16.122 15.157 34.457 1.00 18.94 C
+ATOM 253 O2 U A 12 15.336 14.218 34.377 1.00 15.19 O
+ATOM 254 N3 U A 12 17.421 15.033 34.053 1.00 19.01 N
+ATOM 255 C4 U A 12 18.314 16.062 34.134 1.00 17.34 C
+ATOM 256 O4 U A 12 19.493 15.837 33.730 1.00 21.87 O
+ATOM 257 C5 U A 12 17.881 17.316 34.651 1.00 17.38 C
+ATOM 258 C6 U A 12 16.605 17.428 35.039 1.00 18.19 C
+ATOM 259 P C A 13 14.033 17.068 39.904 1.00 2.89 P
+ATOM 260 OP1 C A 13 13.114 17.147 41.084 1.00 3.98 O
+ATOM 261 OP2 C A 13 15.346 17.737 40.130 1.00 5.42 O
+ATOM 262 O5' C A 13 14.187 15.567 39.387 1.00 4.80 O
+ATOM 263 C5' C A 13 15.016 14.713 40.211 1.00 2.46 C
+ATOM 264 C4' C A 13 15.233 13.437 39.419 1.00 1.93 C
+ATOM 265 O4' C A 13 15.729 13.718 38.126 1.00 0.00 O
+ATOM 266 C3' C A 13 16.282 12.520 40.049 1.00 3.55 C
+ATOM 267 O3' C A 13 15.736 11.773 41.132 1.00 1.36 O
+ATOM 268 C2' C A 13 16.722 11.671 38.853 1.00 3.74 C
+ATOM 269 O2' C A 13 15.749 10.642 38.724 1.00 8.08 O
+ATOM 270 C1' C A 13 16.645 12.678 37.722 1.00 3.48 C
+ATOM 271 N1 C A 13 17.961 13.257 37.415 1.00 4.60 N
+ATOM 272 C2 C A 13 18.813 12.481 36.639 1.00 5.47 C
+ATOM 273 O2 C A 13 18.480 11.356 36.268 1.00 3.94 O
+ATOM 274 N3 C A 13 20.033 13.004 36.316 1.00 10.84 N
+ATOM 275 C4 C A 13 20.419 14.246 36.736 1.00 8.88 C
+ATOM 276 N4 C A 13 21.625 14.696 36.381 1.00 4.12 N
+ATOM 277 C5 C A 13 19.530 15.033 37.512 1.00 9.81 C
+ATOM 278 C6 C A 13 18.334 14.505 37.819 1.00 7.86 C
+ATOM 279 P A A 14 16.652 10.912 42.134 1.00 0.00 P
+ATOM 280 OP1 A A 14 15.885 10.462 43.330 1.00 11.31 O
+ATOM 281 OP2 A A 14 17.701 11.891 42.522 1.00 7.15 O
+ATOM 282 O5' A A 14 17.061 9.704 41.181 1.00 3.36 O
+ATOM 283 C5' A A 14 17.574 8.478 41.730 1.00 6.69 C
+ATOM 284 C4' A A 14 17.724 7.466 40.615 1.00 5.08 C
+ATOM 285 O4' A A 14 18.057 8.051 39.371 1.00 0.00 O
+ATOM 286 C3' A A 14 18.877 6.482 40.874 1.00 2.72 C
+ATOM 287 O3' A A 14 18.534 5.481 41.843 1.00 1.71 O
+ATOM 288 C2' A A 14 19.157 5.965 39.484 1.00 7.69 C
+ATOM 289 O2' A A 14 18.154 4.970 39.225 1.00 6.46 O
+ATOM 290 C1' A A 14 18.927 7.185 38.643 1.00 0.00 C
+ATOM 291 N9 A A 14 20.216 7.859 38.385 1.00 0.33 N
+ATOM 292 C8 A A 14 20.559 9.141 38.757 1.00 3.70 C
+ATOM 293 N7 A A 14 21.771 9.495 38.385 1.00 1.53 N
+ATOM 294 C5 A A 14 22.258 8.366 37.754 1.00 0.00 C
+ATOM 295 C6 A A 14 23.510 8.118 37.140 1.00 4.25 C
+ATOM 296 N6 A A 14 24.503 8.995 37.076 1.00 4.25 N
+ATOM 297 N1 A A 14 23.647 6.870 36.591 1.00 1.32 N
+ATOM 298 C2 A A 14 22.634 5.965 36.639 1.00 0.64 C
+ATOM 299 N3 A A 14 21.442 6.139 37.205 1.00 0.00 N
+ATOM 300 C4 A A 14 21.318 7.365 37.738 1.00 0.00 C
+ATOM 301 P G A 15 19.456 5.605 43.185 1.00 1.67 P
+ATOM 302 OP1 G A 15 18.750 5.049 44.365 1.00 17.45 O
+ATOM 303 OP2 G A 15 19.756 7.050 43.266 1.00 9.28 O
+ATOM 304 O5' G A 15 20.719 4.722 42.765 1.00 10.27 O
+ATOM 305 C5' G A 15 20.689 4.188 41.423 1.00 7.86 C
+ATOM 306 C4' G A 15 22.128 4.127 40.954 1.00 6.80 C
+ATOM 307 O4' G A 15 22.331 5.127 39.952 1.00 10.07 O
+ATOM 308 C3' G A 15 23.187 4.419 41.989 1.00 2.79 C
+ATOM 309 O3' G A 15 23.544 3.317 42.846 0.90 9.63 O
+ATOM 310 C2' G A 15 24.356 4.852 41.116 1.00 6.46 C
+ATOM 311 O2' G A 15 24.956 3.654 40.647 1.00 6.00 O
+ATOM 312 C1' G A 15 23.657 5.611 40.017 1.00 9.74 C
+ATOM 313 N9 G A 15 23.780 7.028 40.389 1.00 12.21 N
+ATOM 314 C8 G A 15 22.894 7.781 41.116 1.00 14.58 C
+ATOM 315 N7 G A 15 23.287 9.018 41.310 1.00 16.29 N
+ATOM 316 C5 G A 15 24.520 9.080 40.664 1.00 15.66 C
+ATOM 317 C6 G A 15 25.449 10.148 40.518 1.00 16.84 C
+ATOM 318 O6 G A 15 25.336 11.300 40.954 1.00 14.57 O
+ATOM 319 N1 G A 15 26.575 9.816 39.791 1.00 14.07 N
+ATOM 320 C2 G A 15 26.771 8.568 39.290 1.00 11.60 C
+ATOM 321 N2 G A 15 27.917 8.399 38.611 1.00 15.41 N
+ATOM 322 N3 G A 15 25.938 7.539 39.403 1.00 9.72 N
+ATOM 323 C4 G A 15 24.833 7.865 40.098 1.00 12.76 C
+ATOM 324 P U A 16 24.193 3.778 44.268 0.90 13.88 P
+ATOM 325 OP1 U A 16 23.147 4.318 45.189 0.90 12.56 O
+ATOM 326 OP2 U A 16 25.156 4.829 43.847 0.90 15.63 O
+ATOM 327 O5' U A 16 24.853 2.457 44.849 0.90 22.09 O
+ATOM 328 C5' U A 16 24.090 1.226 44.898 0.76 25.26 C
+ATOM 329 C4' U A 16 24.723 0.399 46.013 0.76 29.19 C
+ATOM 330 O4' U A 16 24.126 0.759 47.242 0.76 29.89 O
+ATOM 331 C3' U A 16 24.526 -1.113 45.835 0.76 31.53 C
+ATOM 332 O3' U A 16 25.715 -1.838 46.256 0.69 29.35 O
+ATOM 333 C1' U A 16 23.560 -0.416 47.872 0.76 32.84 C
+ATOM 334 C2' U A 16 23.327 -1.377 46.724 0.76 31.38 C
+ATOM 335 O2' U A 16 23.304 -2.727 47.112 0.76 34.76 O
+ATOM 336 N1 U A 16 22.344 -0.039 48.583 0.61 37.16 N
+ATOM 337 C2 U A 16 22.504 0.663 49.730 0.61 41.18 C
+ATOM 338 O2 U A 16 23.573 1.006 50.199 0.61 43.75 O
+ATOM 339 N3 U A 16 21.332 1.006 50.393 0.61 42.30 N
+ATOM 340 C4 U A 16 20.059 0.708 50.005 0.61 42.03 C
+ATOM 341 O4 U A 16 19.103 1.074 50.684 0.61 43.82 O
+ATOM 342 C5 U A 16 19.933 -0.062 48.745 0.61 40.18 C
+ATOM 343 C6 U A 16 21.169 -0.905 48.486 0.61 38.03 C
+ATOM 344 P U A 17 26.761 -2.254 45.092 0.69 28.84 P
+ATOM 345 OP1 U A 17 27.298 -1.035 44.397 0.69 34.24 O
+ATOM 346 OP2 U A 17 25.912 -3.036 44.155 0.69 26.72 O
+ATOM 347 O5' U A 17 27.924 -3.064 45.787 0.57 26.88 O
+ATOM 348 C5' U A 17 28.440 -2.833 47.112 0.57 23.53 C
+ATOM 349 C4' U A 17 29.932 -2.541 46.999 0.57 19.51 C
+ATOM 350 O4' U A 17 30.649 -3.739 46.741 0.57 20.05 O
+ATOM 351 C3' U A 17 30.295 -1.580 45.852 0.57 15.39 C
+ATOM 352 O3' U A 17 31.395 -0.737 46.256 1.00 10.60 O
+ATOM 353 C1' U A 17 31.421 -3.615 45.528 0.57 16.72 C
+ATOM 354 C2' U A 17 30.729 -2.524 44.753 0.57 14.10 C
+ATOM 355 O2' U A 17 31.561 -1.878 43.831 0.57 12.70 O
+ATOM 356 N1 U A 17 31.468 -4.897 44.833 0.96 11.89 N
+ATOM 357 C2 U A 17 30.808 -5.037 43.670 0.96 15.22 C
+ATOM 358 O2 U A 17 29.949 -4.284 43.250 0.96 22.01 O
+ATOM 359 N3 U A 17 31.025 -6.229 42.991 0.96 17.46 N
+ATOM 360 C4 U A 17 31.931 -7.191 43.314 0.96 20.71 C
+ATOM 361 O4 U A 17 32.021 -8.197 42.619 0.96 24.03 O
+ATOM 362 C5 U A 17 32.767 -6.926 44.510 0.96 22.14 C
+ATOM 363 C6 U A 17 32.021 -6.066 45.512 0.96 17.90 C
+ATOM 364 P G A 18 31.381 0.140 47.581 1.00 6.79 P
+ATOM 365 OP1 G A 18 31.721 -0.646 48.809 1.00 9.37 O
+ATOM 366 OP2 G A 18 29.986 0.663 47.629 1.00 12.80 O
+ATOM 367 O5' G A 18 32.494 1.254 47.274 1.00 3.89 O
+ATOM 368 C5' G A 18 32.161 2.237 46.256 1.00 6.76 C
+ATOM 369 C4' G A 18 33.297 2.187 45.237 1.00 5.75 C
+ATOM 370 O4' G A 18 34.373 2.963 45.755 1.00 6.67 O
+ATOM 371 C3' G A 18 33.836 0.787 44.979 1.00 0.00 C
+ATOM 372 O3' G A 18 34.366 0.618 43.654 1.00 0.00 O
+ATOM 373 C2' G A 18 35.029 0.725 45.916 1.00 0.00 C
+ATOM 374 O2' G A 18 35.898 -0.270 45.464 1.00 2.08 O
+ATOM 375 C1' G A 18 35.538 2.142 45.835 1.00 0.00 C
+ATOM 376 N9 G A 18 36.401 2.412 46.999 1.00 0.00 N
+ATOM 377 C8 G A 18 36.384 1.872 48.244 1.00 0.00 C
+ATOM 378 N7 G A 18 37.320 2.333 49.035 1.00 0.00 N
+ATOM 379 C5 G A 18 38.010 3.250 48.244 1.00 0.00 C
+ATOM 380 C6 G A 18 39.129 4.082 48.518 1.00 0.00 C
+ATOM 381 O6 G A 18 39.756 4.166 49.569 1.00 1.20 O
+ATOM 382 N1 G A 18 39.529 4.857 47.452 1.00 0.00 N
+ATOM 383 C2 G A 18 38.903 4.829 46.256 1.00 0.00 C
+ATOM 384 N2 G A 18 39.406 5.644 45.318 1.00 0.00 N
+ATOM 385 N3 G A 18 37.854 4.070 45.949 1.00 0.38 N
+ATOM 386 C4 G A 18 37.457 3.306 46.983 1.00 3.99 C
+ATOM 387 P G A 19 33.790 0.748 42.183 1.00 0.00 P
+ATOM 388 OP1 G A 19 32.687 1.743 42.070 1.00 1.97 O
+ATOM 389 OP2 G A 19 33.247 -0.613 41.908 1.00 1.44 O
+ATOM 390 O5' G A 19 35.072 1.130 41.310 1.00 0.00 O
+ATOM 391 C5' G A 19 35.129 2.209 40.373 1.00 0.00 C
+ATOM 392 C4' G A 19 36.364 2.080 39.500 1.00 0.00 C
+ATOM 393 O4' G A 19 37.427 1.495 40.227 1.00 8.34 O
+ATOM 394 C3' G A 19 36.181 1.158 38.272 1.00 0.00 C
+ATOM 395 O3' G A 19 36.901 1.709 37.156 1.00 1.83 O
+ATOM 396 C2' G A 19 36.784 -0.163 38.757 1.00 0.00 C
+ATOM 397 O2' G A 19 37.114 -0.905 37.609 1.00 2.96 O
+ATOM 398 C1' G A 19 37.917 0.281 39.581 1.00 0.00 C
+ATOM 399 N9 G A 19 38.300 -0.568 40.712 1.00 0.00 N
+ATOM 400 C8 G A 19 37.504 -1.451 41.391 1.00 0.00 C
+ATOM 401 N7 G A 19 38.110 -2.052 42.377 1.00 0.00 N
+ATOM 402 C5 G A 19 39.399 -1.529 42.361 1.00 0.00 C
+ATOM 403 C6 G A 19 40.532 -1.777 43.169 1.00 0.00 C
+ATOM 404 O6 G A 19 40.621 -2.558 44.122 1.00 0.00 O
+ATOM 405 N1 G A 19 41.644 -1.051 42.829 1.00 1.20 N
+ATOM 406 C2 G A 19 41.658 -0.163 41.795 1.00 0.99 C
+ATOM 407 N2 G A 19 42.820 0.467 41.585 1.00 0.00 N
+ATOM 408 N3 G A 19 40.618 0.107 40.987 1.00 5.20 N
+ATOM 409 C4 G A 19 39.526 -0.607 41.326 1.00 1.71 C
+ATOM 410 P G A 20 36.408 3.115 36.526 1.00 2.55 P
+ATOM 411 OP1 G A 20 37.547 3.918 35.960 1.00 1.87 O
+ATOM 412 OP2 G A 20 35.755 3.806 37.658 1.00 0.00 O
+ATOM 413 O5' G A 20 35.452 2.659 35.346 1.00 0.00 O
+ATOM 414 C5' G A 20 36.095 2.530 34.037 1.00 0.00 C
+ATOM 415 C4' G A 20 34.942 2.254 33.100 1.00 0.00 C
+ATOM 416 O4' G A 20 34.076 1.310 33.698 1.00 0.00 O
+ATOM 417 C3' G A 20 34.073 3.469 32.809 1.00 0.00 C
+ATOM 418 O3' G A 20 34.629 4.329 31.807 1.00 1.61 O
+ATOM 419 C2' G A 20 32.757 2.805 32.405 1.00 0.01 C
+ATOM 420 O2' G A 20 32.874 2.412 31.047 1.00 4.44 O
+ATOM 421 C1' G A 20 32.737 1.597 33.326 1.00 0.00 C
+ATOM 422 N9 G A 20 31.894 1.923 34.490 1.00 0.00 N
+ATOM 423 C8 G A 20 32.134 1.720 35.815 1.00 0.00 C
+ATOM 424 N7 G A 20 31.168 2.136 36.607 1.00 0.00 N
+ATOM 425 C5 G A 20 30.219 2.642 35.718 1.00 2.19 C
+ATOM 426 C6 G A 20 28.946 3.238 35.928 1.00 0.00 C
+ATOM 427 O6 G A 20 28.377 3.441 37.011 1.00 0.00 O
+ATOM 428 N1 G A 20 28.297 3.621 34.781 1.00 0.00 N
+ATOM 429 C2 G A 20 28.837 3.446 33.552 1.00 0.60 C
+ATOM 430 N2 G A 20 28.084 3.874 32.518 1.00 0.15 N
+ATOM 431 N3 G A 20 30.022 2.895 33.294 1.00 0.00 N
+ATOM 432 C4 G A 20 30.655 2.519 34.425 1.00 0.00 C
+ATOM 433 P A A 21 35.508 5.605 32.276 1.00 0.00 P
+ATOM 434 OP1 A A 21 36.168 6.268 31.112 1.00 0.00 O
+ATOM 435 OP2 A A 21 36.508 4.976 33.197 1.00 2.01 O
+ATOM 436 O5' A A 21 34.479 6.555 33.019 1.00 0.00 O
+ATOM 437 C5' A A 21 33.500 7.326 32.308 1.00 0.00 C
+ATOM 438 C4' A A 21 32.154 7.162 32.971 1.00 1.08 C
+ATOM 439 O4' A A 21 32.064 7.933 34.150 1.00 2.40 O
+ATOM 440 C3' A A 21 30.985 7.652 32.098 1.00 0.00 C
+ATOM 441 O3' A A 21 30.609 6.690 31.144 1.00 5.12 O
+ATOM 442 C2' A A 21 29.902 7.916 33.148 1.00 0.00 C
+ATOM 443 O2' A A 21 29.316 6.651 33.423 1.00 0.54 O
+ATOM 444 C1' A A 21 30.715 8.427 34.312 1.00 2.79 C
+ATOM 445 N9 A A 21 30.729 9.900 34.377 1.00 0.00 N
+ATOM 446 C8 A A 21 31.578 10.772 33.746 1.00 0.00 C
+ATOM 447 N7 A A 21 31.335 12.031 34.021 1.00 4.38 N
+ATOM 448 C5 A A 21 30.246 11.986 34.878 1.00 3.49 C
+ATOM 449 C6 A A 21 29.509 13.009 35.524 1.00 0.00 C
+ATOM 450 N6 A A 21 29.759 14.297 35.411 1.00 0.47 N
+ATOM 451 N1 A A 21 28.487 12.576 36.316 1.00 0.25 N
+ATOM 452 C2 A A 21 28.200 11.250 36.461 1.00 1.02 C
+ATOM 453 N3 A A 21 28.853 10.249 35.896 1.00 5.26 N
+ATOM 454 C4 A A 21 29.866 10.676 35.104 1.00 1.73 C
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+ATOM 456 OP1 G A 22 29.393 5.318 29.415 1.00 12.63 O
+ATOM 457 OP2 G A 22 29.589 7.786 29.237 1.00 8.98 O
+ATOM 458 O5' G A 22 28.047 6.735 31.015 1.00 1.57 O
+ATOM 459 C5' G A 22 26.844 6.842 30.191 1.00 5.53 C
+ATOM 460 C4' G A 22 25.709 6.319 31.031 1.00 0.85 C
+ATOM 461 O4' G A 22 25.889 6.786 32.356 1.00 5.66 O
+ATOM 462 C3' G A 22 24.323 6.825 30.643 1.00 0.74 C
+ATOM 463 O3' G A 22 23.727 6.094 29.560 1.00 3.90 O
+ATOM 464 C2' G A 22 23.573 6.668 31.952 1.00 0.67 C
+ATOM 465 O2' G A 22 23.247 5.279 32.049 1.00 0.00 O
+ATOM 466 C1' G A 22 24.613 7.016 32.971 1.00 2.41 C
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+ATOM 468 C8 G A 22 25.605 9.333 33.310 1.00 10.11 C
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+ATOM 470 C5 G A 22 23.970 10.406 34.134 1.00 4.07 C
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+ATOM 474 C2 G A 22 21.482 9.552 34.700 1.00 8.56 C
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+ATOM 476 N3 G A 22 22.288 8.624 34.167 1.00 10.69 N
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+ATOM 479 OP1 A A 23 22.881 6.274 27.120 1.00 0.73 O
+ATOM 480 OP2 A A 23 23.493 8.253 28.477 1.00 12.20 O
+ATOM 481 O5' A A 23 21.385 6.898 29.092 1.00 0.00 O
+ATOM 482 C5' A A 23 20.709 5.616 29.269 1.00 6.09 C
+ATOM 483 C4' A A 23 19.446 5.931 30.045 1.00 6.73 C
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+ATOM 485 C3' A A 23 18.517 6.938 29.350 1.00 5.97 C
+ATOM 486 O3' A A 23 17.708 6.359 28.332 1.00 1.13 O
+ATOM 487 C2' A A 23 17.738 7.472 30.546 1.00 7.79 C
+ATOM 488 O2' A A 23 16.728 6.510 30.837 1.00 11.50 O
+ATOM 489 C1' A A 23 18.787 7.477 31.629 1.00 10.64 C
+ATOM 490 N9 A A 23 19.363 8.832 31.710 1.00 15.20 N
+ATOM 491 C8 A A 23 20.599 9.226 31.257 1.00 15.68 C
+ATOM 492 N7 A A 23 20.849 10.491 31.451 1.00 18.24 N
+ATOM 493 C5 A A 23 19.703 10.969 32.065 1.00 12.32 C
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+ATOM 495 N6 A A 23 20.149 13.318 32.437 1.00 18.17 N
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+ATOM 498 N3 A A 23 17.561 10.041 32.793 1.00 21.86 N
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+ATOM 501 OP1 G A 24 17.378 5.920 25.795 1.00 8.31 O
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+ATOM 504 C5' G A 24 15.213 7.073 28.009 1.00 15.16 C
+ATOM 505 C4' G A 24 14.407 8.208 28.591 1.00 13.30 C
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+ATOM 509 C2' G A 24 13.967 10.519 28.607 1.00 17.86 C
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+ATOM 511 C1' G A 24 14.773 10.125 29.819 1.00 17.94 C
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+ATOM 518 N1 G A 24 17.128 14.656 30.288 1.00 30.45 N
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+ATOM 527 C5' C A 25 12.704 12.329 24.372 1.00 21.82 C
+ATOM 528 C4' C A 25 12.468 13.392 25.423 1.00 21.60 C
+ATOM 529 O4' C A 25 13.247 13.099 26.570 1.00 20.29 O
+ATOM 530 C3' C A 25 12.901 14.803 25.019 1.00 21.88 C
+ATOM 531 O3' C A 25 11.952 15.511 24.211 1.00 16.04 O
+ATOM 532 C2' C A 25 13.127 15.466 26.376 1.00 20.93 C
+ATOM 533 O2' C A 25 11.838 15.877 26.845 1.00 17.33 O
+ATOM 534 C1' C A 25 13.677 14.319 27.168 1.00 17.48 C
+ATOM 535 N1 C A 25 15.149 14.325 27.136 1.00 13.20 N
+ATOM 536 C2 C A 25 15.826 15.489 27.427 1.00 17.05 C
+ATOM 537 O2 C A 25 15.206 16.501 27.750 1.00 16.74 O
+ATOM 538 N3 C A 25 17.195 15.455 27.378 1.00 18.39 N
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+ATOM 546 O5' G A 26 13.047 17.113 22.562 1.00 22.58 O
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+ATOM 549 O4' G A 26 14.820 18.401 24.712 1.00 18.03 O
+ATOM 550 C3' G A 26 14.866 18.997 22.449 1.00 18.83 C
+ATOM 551 O3' G A 26 14.417 19.947 21.496 1.00 16.54 O
+ATOM 552 C2' G A 26 16.242 19.328 23.031 1.00 20.38 C
+ATOM 553 O2' G A 26 16.299 20.734 23.209 1.00 22.35 O
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+ATOM 555 N9 G A 26 16.925 17.316 24.227 1.00 24.84 N
+ATOM 556 C8 G A 26 16.435 16.045 24.114 1.00 23.72 C
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+ATOM 558 C5 G A 26 18.554 15.848 24.065 1.00 21.52 C
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+ATOM 572 C5' C A 27 16.592 20.981 20.332 1.00 15.72 C
+ATOM 573 C4' C A 27 18.024 20.903 19.863 1.00 17.30 C
+ATOM 574 O4' C A 27 18.797 20.155 20.784 1.00 18.55 O
+ATOM 575 C3' C A 27 18.207 20.183 18.522 1.00 18.37 C
+ATOM 576 O3' C A 27 17.911 21.021 17.406 1.00 23.90 O
+ATOM 577 C2' C A 27 19.673 19.739 18.619 1.00 17.05 C
+ATOM 578 O2' C A 27 20.476 20.858 18.247 1.00 19.18 O
+ATOM 579 C1' C A 27 19.806 19.424 20.089 1.00 14.80 C
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+ATOM 583 N3 C A 27 20.479 15.798 20.105 1.00 17.00 N
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+ATOM 586 C5 C A 27 18.260 16.169 20.994 1.00 18.01 C
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+ATOM 591 O5' C A 28 19.610 20.144 15.774 1.00 19.71 O
+ATOM 592 C5' C A 28 20.419 20.627 14.675 1.00 18.88 C
+ATOM 593 C4' C A 28 21.548 19.643 14.465 1.00 20.19 C
+ATOM 594 O4' C A 28 21.821 18.918 15.645 1.00 20.55 O
+ATOM 595 C3' C A 28 21.258 18.564 13.415 1.00 19.77 C
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+ATOM 622 N7 A A 29 19.167 13.611 13.334 1.00 17.22 N
+ATOM 623 C5 A A 29 19.723 12.335 13.334 1.00 16.57 C
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+ATOM 1065 C5' C A 49 28.560 19.531 41.682 1.00 5.64 C
+ATOM 1066 C4' C A 49 29.036 20.852 42.264 1.00 5.09 C
+ATOM 1067 O4' C A 49 28.224 21.223 43.363 1.00 4.65 O
+ATOM 1068 C3' C A 49 30.452 20.835 42.829 1.00 8.88 C
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+ATOM 1070 C2' C A 49 30.422 22.010 43.799 1.00 7.00 C
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+ATOM 1087 C4' U A 50 34.376 23.303 44.090 1.00 0.00 C
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+ATOM 1092 O2' U A 50 36.504 24.096 45.949 1.00 8.34 O
+ATOM 1093 C1' U A 50 34.276 23.281 46.417 1.00 0.00 C
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+ATOM 1140 N3 U A 52 39.159 16.512 51.541 1.00 1.62 N
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+ATOM 1143 C5 U A 52 39.589 17.681 49.488 1.00 5.38 C
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+ATOM 1153 O3' G A 53 45.948 12.694 54.288 1.00 10.26 O
+ATOM 1154 C2' G A 53 43.563 13.296 54.288 1.00 0.85 C
+ATOM 1155 O2' G A 53 43.789 13.257 55.694 1.00 0.00 O
+ATOM 1156 C1' G A 53 42.847 14.555 53.852 1.00 0.58 C
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+ATOM 1161 C6 G A 53 39.522 12.554 50.862 1.00 0.00 C
+ATOM 1162 O6 G A 53 38.993 12.470 49.747 1.00 1.53 O
+ATOM 1163 N1 G A 53 39.059 11.744 51.880 1.00 0.04 N
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+ATOM 1166 N3 G A 53 40.578 12.548 53.545 1.00 2.56 N
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+ATOM 1168 N1 U A 54 41.857 8.978 52.284 1.00 0.00 N
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+ATOM 1171 C4 U A 54 41.444 9.777 49.698 1.00 0.00 C
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+ATOM 1173 C5M U A 54 43.446 11.328 49.844 1.00 0.00 C
+ATOM 1174 C6 U A 54 42.687 9.895 51.718 1.00 0.00 C
+ATOM 1175 O2 U A 54 40.042 7.612 52.074 1.00 0.71 O
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+ATOM 1177 C1' U A 54 42.014 8.500 53.674 1.00 3.38 C
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+ATOM 1179 O2' U A 54 42.580 6.364 54.741 1.00 4.00 O
+ATOM 1180 C3' U A 54 44.249 7.899 54.110 1.00 8.98 C
+ATOM 1181 C4' U A 54 43.819 9.001 55.064 1.00 7.57 C
+ATOM 1182 O3' U A 54 45.135 6.949 54.692 1.00 6.80 O
+ATOM 1183 O4' U A 54 42.613 9.495 54.514 1.00 7.24 O
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+ATOM 1194 C6 U A 55 44.346 6.977 49.827 1.00 3.80 C
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+ATOM 1196 O4 U A 55 42.430 5.987 47.064 1.00 5.16 O
+ATOM 1197 C1' U A 55 43.063 4.852 49.569 1.00 1.54 C
+ATOM 1198 C2' U A 55 43.886 3.716 48.987 1.00 0.00 C
+ATOM 1199 O2' U A 55 43.086 2.558 48.809 1.00 0.00 O
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+ATOM 1201 C4' U A 55 43.989 3.694 51.363 1.00 0.00 C
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+ATOM 1214 C4' C A 56 47.963 2.502 46.239 1.00 0.00 C
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+ATOM 1238 C2' G A 57 41.538 4.846 42.781 1.00 0.64 C
+ATOM 1239 O2' G A 57 41.261 4.970 41.391 1.00 2.20 O
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+ATOM 1259 C3' A A 58 37.804 9.529 43.314 1.00 0.00 C
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+ATOM 1278 O5' U A 59 34.476 10.294 41.456 1.00 13.10 O
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+ATOM 1282 C3' U A 59 32.767 10.822 43.524 1.00 7.99 C
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+ATOM 1284 C2' U A 59 31.265 10.659 43.718 1.00 5.68 C
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+ATOM 1335 P A A 62 31.598 9.715 55.969 1.00 0.00 P
+ATOM 1336 OP1 A A 62 30.669 9.321 57.084 1.00 13.83 O
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+ATOM 1338 O5' A A 62 33.083 9.928 56.470 1.00 5.65 O
+ATOM 1339 C5' A A 62 33.403 9.720 57.876 1.00 7.49 C
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+ATOM 1345 O2' A A 62 36.804 12.357 58.830 1.00 13.43 O
+ATOM 1346 C1' A A 62 36.328 11.379 56.680 1.00 2.51 C
+ATOM 1347 N9 A A 62 36.065 11.879 55.322 1.00 1.03 N
+ATOM 1348 C8 A A 62 35.142 11.452 54.417 1.00 0.95 C
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+ATOM 1350 C5 A A 62 36.188 13.049 53.464 1.00 0.00 C
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+ATOM 1362 C4' C A 63 35.462 16.135 59.848 1.00 11.64 C
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+ATOM 1365 O3' C A 63 34.582 18.389 60.414 1.00 12.92 O
+ATOM 1366 C2' C A 63 35.845 17.917 58.345 1.00 11.37 C
+ATOM 1367 O2' C A 63 36.897 18.541 59.088 1.00 12.44 O
+ATOM 1368 C1' C A 63 36.321 16.619 57.731 1.00 4.28 C
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+ATOM 1370 C2 C A 63 36.131 17.085 55.339 1.00 0.67 C
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+ATOM 1372 N3 C A 63 35.468 16.945 54.159 1.00 0.00 N
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+ATOM 1383 O4' A A 64 35.835 21.437 57.828 1.00 10.56 O
+ATOM 1384 C3' A A 64 34.459 23.298 57.763 1.00 9.53 C
+ATOM 1385 O3' A A 64 34.179 24.596 58.313 1.00 6.01 O
+ATOM 1386 C2' A A 64 35.285 23.320 56.486 1.00 9.55 C
+ATOM 1387 O2' A A 64 36.328 24.264 56.696 1.00 13.78 O
+ATOM 1388 C1' A A 64 35.832 21.920 56.486 1.00 10.59 C
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+ATOM 1403 C5' G A 65 32.317 26.564 57.214 1.00 9.01 C
+ATOM 1404 C4' G A 65 32.814 26.575 55.775 1.00 5.09 C
+ATOM 1405 O4' G A 65 33.303 25.310 55.355 1.00 8.92 O
+ATOM 1406 C3' G A 65 31.711 26.901 54.757 1.00 0.42 C
+ATOM 1407 O3' G A 65 31.378 28.295 54.724 1.00 0.15 O
+ATOM 1408 C2' G A 65 32.301 26.345 53.480 1.00 1.10 C
+ATOM 1409 O2' G A 65 33.217 27.329 52.995 1.00 0.00 O
+ATOM 1410 C1' G A 65 33.020 25.114 53.965 1.00 6.67 C
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+ATOM 1423 OP1 A A 66 29.596 29.858 55.646 1.00 8.00 O
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+ATOM 1425 O5' A A 66 29.263 28.594 53.383 1.00 0.00 O
+ATOM 1426 C5' A A 66 29.972 29.465 52.462 1.00 0.00 C
+ATOM 1427 C4' A A 66 29.626 29.116 51.040 1.00 0.34 C
+ATOM 1428 O4' A A 66 30.052 27.795 50.732 1.00 3.47 O
+ATOM 1429 C3' A A 66 28.134 29.094 50.716 1.00 2.03 C
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+ATOM 1431 C2' A A 66 28.070 28.189 49.472 1.00 0.26 C
+ATOM 1432 O2' A A 66 28.437 28.976 48.357 1.00 0.00 O
+ATOM 1433 C1' A A 66 29.143 27.188 49.795 1.00 0.00 C
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+ATOM 1435 C8 A A 66 28.577 25.631 51.735 1.00 0.00 C
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+ATOM 1437 C5 A A 66 27.557 24.056 50.732 1.00 0.30 C
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+ATOM 1439 N6 A A 66 26.468 21.943 51.153 1.00 0.00 N
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+ATOM 1441 C2 A A 66 27.001 23.775 48.114 1.00 0.12 C
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+ATOM 1443 C4 A A 66 27.907 24.967 49.747 1.00 0.18 C
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+ATOM 1445 OP1 A A 67 25.872 32.135 51.153 1.00 15.31 O
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+ATOM 1447 O5' A A 67 25.186 30.021 49.827 1.00 3.37 O
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+ATOM 1449 C4' A A 67 24.520 29.487 47.613 1.00 8.12 C
+ATOM 1450 O4' A A 67 25.169 28.228 47.710 1.00 11.83 O
+ATOM 1451 C3' A A 67 23.080 29.218 48.034 1.00 10.99 C
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+ATOM 1453 C2' A A 67 22.847 27.812 47.452 1.00 9.78 C
+ATOM 1454 O2' A A 67 22.531 27.969 46.078 1.00 7.59 O
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+ATOM 1457 C8 A A 67 24.626 26.727 50.118 1.00 0.00 C
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+ATOM 1459 C5 A A 67 23.800 24.776 50.328 1.00 2.64 C
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+ATOM 1462 N1 A A 67 22.747 22.758 49.779 1.00 0.00 N
+ATOM 1463 C2 A A 67 22.628 23.208 48.486 1.00 0.00 C
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+ATOM 1467 OP1 U A 68 20.409 31.983 48.098 1.00 15.56 O
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+ATOM 1469 O5' U A 68 19.773 29.521 48.227 1.00 13.99 O
+ATOM 1470 C5' U A 68 19.500 29.263 46.821 1.00 15.33 C
+ATOM 1471 C4' U A 68 18.947 27.857 46.724 1.00 11.41 C
+ATOM 1472 O4' U A 68 19.946 26.913 47.080 1.00 5.34 O
+ATOM 1473 C3' U A 68 17.781 27.570 47.678 1.00 10.61 C
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+ATOM 1475 C2' U A 68 17.844 26.047 47.775 1.00 8.89 C
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+ATOM 1489 O5' U A 69 14.923 27.435 49.084 1.00 9.24 O
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+ATOM 1492 O4' U A 69 15.219 24.827 49.391 1.00 9.85 O
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+ATOM 1494 O3' U A 69 11.825 25.395 50.474 1.00 18.44 O
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+ATOM 1496 O2' U A 69 13.081 23.078 50.846 1.00 10.10 O
+ATOM 1497 C1' U A 69 15.246 24.169 50.652 1.00 8.52 C
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+ATOM 1504 C5 U A 69 17.381 26.778 52.219 1.00 9.01 C
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+ATOM 1509 O5' C A 70 10.766 25.215 52.753 1.00 18.48 O
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+ATOM 1512 O4' C A 70 11.479 22.938 53.771 1.00 20.18 O
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+ATOM 1514 O3' C A 70 8.544 23.601 55.759 1.00 19.20 O
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+ATOM 1516 O2' C A 70 10.219 21.549 56.228 1.00 21.45 O
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+ATOM 1529 O5' G A 71 8.647 24.321 58.232 1.00 22.21 O
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+ATOM 1534 O3' G A 71 8.161 23.950 61.917 1.00 28.99 O
+ATOM 1535 C2' G A 71 10.573 23.483 61.626 1.00 25.65 C
+ATOM 1536 O2' G A 71 10.296 22.460 62.579 1.00 26.25 O
+ATOM 1537 C1' G A 71 11.322 22.938 60.446 1.00 24.32 C
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+ATOM 1539 C8 G A 71 11.955 24.720 58.733 1.00 19.05 C
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+ATOM 1541 C5 G A 71 13.737 25.507 59.589 1.00 17.04 C
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+ATOM 1543 O6 G A 71 15.456 27.121 59.266 1.00 20.31 O
+ATOM 1544 N1 G A 71 15.516 25.805 61.092 1.00 17.37 N
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+ATOM 1548 C4 G A 71 13.314 24.517 60.446 1.00 17.46 C
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+ATOM 1550 OP1 C A 72 6.309 25.406 62.854 1.00 27.88 O
+ATOM 1551 OP2 C A 72 7.828 26.215 61.044 1.00 29.12 O
+ATOM 1552 O5' C A 72 8.797 25.822 63.420 1.00 16.81 O
+ATOM 1553 C5' C A 72 8.887 24.816 64.470 1.00 21.29 C
+ATOM 1554 C4' C A 72 10.163 25.069 65.230 1.00 20.33 C
+ATOM 1555 O4' C A 72 11.279 24.877 64.389 1.00 24.21 O
+ATOM 1556 C3' C A 72 10.329 26.491 65.779 1.00 22.82 C
+ATOM 1557 O3' C A 72 9.623 26.733 66.992 1.00 25.84 O
+ATOM 1558 C2' C A 72 11.842 26.575 65.925 1.00 27.18 C
+ATOM 1559 O2' C A 72 12.158 25.934 67.169 1.00 29.23 O
+ATOM 1560 C1' C A 72 12.328 25.771 64.745 1.00 25.74 C
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+ATOM 1568 C6 C A 72 11.902 26.789 62.531 1.00 27.68 C
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+ATOM 1572 O5' A A 73 10.436 29.043 67.606 1.00 24.19 O
+ATOM 1573 C5' A A 73 11.199 28.745 68.802 1.00 27.37 C
+ATOM 1574 C4' A A 73 12.411 29.656 68.769 1.00 29.49 C
+ATOM 1575 O4' A A 73 13.251 29.291 67.670 1.00 29.13 O
+ATOM 1576 C3' A A 73 12.101 31.129 68.527 1.00 32.07 C
+ATOM 1577 O3' A A 73 11.682 31.832 69.690 1.00 34.60 O
+ATOM 1578 C2' A A 73 13.424 31.646 67.945 1.00 29.01 C
+ATOM 1579 O2' A A 73 14.297 31.894 69.044 1.00 27.53 O
+ATOM 1580 C1' A A 73 13.890 30.454 67.137 1.00 28.43 C
+ATOM 1581 N9 A A 73 13.554 30.679 65.731 1.00 26.68 N
+ATOM 1582 C8 A A 73 12.518 30.151 65.004 1.00 24.43 C
+ATOM 1583 N7 A A 73 12.495 30.550 63.743 1.00 23.16 N
+ATOM 1584 C5 A A 73 13.590 31.404 63.646 1.00 19.93 C
+ATOM 1585 C6 A A 73 14.103 32.152 62.563 1.00 20.89 C
+ATOM 1586 N6 A A 73 13.574 32.163 61.351 1.00 24.41 N
+ATOM 1587 N1 A A 73 15.219 32.889 62.838 1.00 21.91 N
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+ATOM 1590 C4 A A 73 14.250 31.489 64.858 1.00 22.52 C
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+ATOM 1592 OP1 C A 74 10.103 33.513 70.790 1.00 29.46 O
+ATOM 1593 OP2 C A 74 9.677 32.602 68.511 1.00 29.74 O
+ATOM 1594 O5' C A 74 11.682 34.204 68.866 1.00 37.49 O
+ATOM 1595 C5' C A 74 13.078 34.165 69.270 1.00 34.40 C
+ATOM 1596 C4' C A 74 13.850 35.064 68.333 1.00 33.09 C
+ATOM 1597 O4' C A 74 14.040 34.435 67.072 1.00 34.22 O
+ATOM 1598 C3' C A 74 13.144 36.386 68.010 1.00 31.87 C
+ATOM 1599 O3' C A 74 13.317 37.330 69.044 1.00 30.07 O
+ATOM 1600 C2' C A 74 13.804 36.779 66.684 1.00 33.18 C
+ATOM 1601 O2' C A 74 15.036 37.409 67.008 1.00 34.33 O
+ATOM 1602 C1' C A 74 14.027 35.419 66.022 1.00 31.93 C
+ATOM 1603 N1 C A 74 12.991 35.154 65.004 1.00 28.12 N
+ATOM 1604 C2 C A 74 13.161 35.795 63.775 1.00 28.57 C
+ATOM 1605 O2 C A 74 14.120 36.537 63.581 1.00 30.04 O
+ATOM 1606 N3 C A 74 12.228 35.570 62.806 1.00 27.74 N
+ATOM 1607 C4 C A 74 11.156 34.755 63.000 1.00 25.44 C
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+ATOM 1609 C5 C A 74 10.992 34.103 64.260 1.00 25.11 C
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+ATOM 1612 OP1 C A 75 13.464 39.624 70.127 1.00 39.27 O
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+ATOM 1614 O5' C A 75 12.255 39.365 67.897 1.00 31.83 O
+ATOM 1615 C5' C A 75 11.335 40.495 67.913 1.00 27.55 C
+ATOM 1616 C4' C A 75 11.006 40.805 66.458 1.00 26.80 C
+ATOM 1617 O4' C A 75 11.309 39.674 65.666 1.00 24.35 O
+ATOM 1618 C3' C A 75 9.537 41.102 66.183 1.00 28.28 C
+ATOM 1619 O3' C A 75 9.134 42.440 66.458 0.70 29.36 O
+ATOM 1620 C2' C A 75 9.437 40.771 64.697 1.00 26.31 C
+ATOM 1621 O2' C A 75 9.906 41.912 64.002 1.00 28.50 O
+ATOM 1622 C1' C A 75 10.393 39.590 64.567 1.00 24.36 C
+ATOM 1623 N1 C A 75 9.597 38.353 64.567 1.00 21.37 N
+ATOM 1624 C2 C A 75 8.867 38.095 63.403 1.00 25.62 C
+ATOM 1625 O2 C A 75 8.900 38.870 62.450 1.00 27.04 O
+ATOM 1626 N3 C A 75 8.114 36.953 63.371 1.00 25.19 N
+ATOM 1627 C4 C A 75 8.071 36.088 64.422 1.00 24.44 C
+ATOM 1628 N4 C A 75 7.315 34.991 64.309 1.00 24.63 N
+ATOM 1629 C5 C A 75 8.821 36.357 65.585 1.00 24.16 C
+ATOM 1630 C6 C A 75 9.553 37.487 65.618 1.00 23.86 C
+ATOM 1631 P A A 76 9.487 43.244 67.800 0.70 29.71 P
+ATOM 1632 OP1 A A 76 9.333 42.356 68.996 0.70 33.40 O
+ATOM 1633 OP2 A A 76 8.507 44.369 67.816 0.70 33.05 O
+ATOM 1634 O5' A A 76 10.989 43.722 67.606 0.70 35.56 O
+ATOM 1635 C5' A A 76 12.058 43.211 68.430 0.62 37.62 C
+ATOM 1636 C4' A A 76 13.161 44.251 68.414 0.62 39.32 C
+ATOM 1637 O4' A A 76 12.615 45.527 68.705 0.62 39.53 O
+ATOM 1638 C3' A A 76 14.267 44.048 69.448 0.62 40.32 C
+ATOM 1639 O3' A A 76 15.253 43.098 69.044 0.62 41.15 O
+ATOM 1640 C2' A A 76 14.826 45.465 69.577 0.62 40.57 C
+ATOM 1641 O2' A A 76 15.709 45.667 68.478 0.62 39.29 O
+ATOM 1642 C1' A A 76 13.580 46.308 69.416 0.62 40.91 C
+ATOM 1643 N9 A A 76 13.071 46.708 70.741 0.35 42.10 N
+ATOM 1644 C8 A A 76 13.727 47.365 71.759 0.35 42.72 C
+ATOM 1645 N7 A A 76 12.991 47.579 72.810 0.35 43.75 N
+ATOM 1646 C5 A A 76 11.762 47.022 72.487 0.35 43.24 C
+ATOM 1647 C6 A A 76 10.549 46.927 73.214 0.35 44.11 C
+ATOM 1648 N6 A A 76 10.379 47.399 74.442 0.35 44.46 N
+ATOM 1649 N1 A A 76 9.527 46.297 72.551 0.35 44.29 N
+ATOM 1650 C2 A A 76 9.683 45.802 71.291 0.35 43.56 C
+ATOM 1651 N3 A A 76 10.792 45.859 70.563 0.35 43.16 N
+ATOM 1652 C4 A A 76 11.795 46.483 71.226 0.35 42.87 C
Added: SwiftApps/modFTDock/Scoring/build1
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+ *
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+ application/octet-stream
Added: SwiftApps/modFTDock/Scoring/distances300r.exe
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+ *
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Added: SwiftApps/modFTDock/Scoring/modmerge
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+ *
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+ application/octet-stream
Added: SwiftApps/modFTDock/Scoring/pdb.all
===================================================================
--- SwiftApps/modFTDock/Scoring/pdb.all (rev 0)
+++ SwiftApps/modFTDock/Scoring/pdb.all 2011-07-15 20:30:00 UTC (rev 4825)
@@ -0,0 +1 @@
+2RNK
Added: SwiftApps/modFTDock/Scoring/run_short.bat
===================================================================
--- SwiftApps/modFTDock/Scoring/run_short.bat (rev 0)
+++ SwiftApps/modFTDock/Scoring/run_short.bat 2011-07-15 20:30:00 UTC (rev 4825)
@@ -0,0 +1,12 @@
+#!/bin/bash
+
+# destroy results files
+rm 2RNK.dat 2RNK.res.gz
+
+# prepare DAT files
+tar xvf some_dat.tar
+rm 2RNK_0{1,2,3,4,5,6,7,8,9}?.dat
+rm 2RNK_00{1,2,3,4,5,6,7,8,9}.dat
+
+# make the run
+time ./scoredat.bat 2RNK
Property changes on: SwiftApps/modFTDock/Scoring/run_short.bat
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+ *
Added: SwiftApps/modFTDock/Scoring/run_test.bat
===================================================================
--- SwiftApps/modFTDock/Scoring/run_test.bat (rev 0)
+++ SwiftApps/modFTDock/Scoring/run_test.bat 2011-07-15 20:30:00 UTC (rev 4825)
@@ -0,0 +1,10 @@
+#!/bin/bash
+
+# destroy results files
+rm 2RNK.dat 2RNK.res.gz
+
+# prepare DAT files
+tar xvf some_dat.tar
+
+# make the run
+time ./scoredat.bat 2RNK
Property changes on: SwiftApps/modFTDock/Scoring/run_test.bat
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+ *
Added: SwiftApps/modFTDock/Scoring/scoredat.bat
===================================================================
--- SwiftApps/modFTDock/Scoring/scoredat.bat (rev 0)
+++ SwiftApps/modFTDock/Scoring/scoredat.bat 2011-07-15 20:30:00 UTC (rev 4825)
@@ -0,0 +1,107 @@
+#!/bin/bash
+#$ -S /bin/bash
+#$ -j y
+
+##### IMPORTANT NOTICE #####
+# run only one instance per node
+# as many would use the same files and crash one another...
+
+# * to run a test (takes > 1h):
+# ./run_test.bat
+# * to run a shorter test (about 1 minute):
+# ./run_short.bat
+
+############################
+
+
+
+## $1 is a protein : 1jos-A
+## qsub -cwd -pe threaded 3 ~/Database/scoredat.bat 1jos-A
+## for i in `ls ????-?_???.dat | cut -c 1-6 | sort | uniq`; do qsub -cwd -pe threaded 3 ~/Database/scoredat.bat ${i}; done
+
+## NB we use "-pe threaded 3" because nodes on godzilla have 4-cores
+## hence prevents more than 2 of these to run on same node
+
+
+
+##################################################
+# prolog
+#
+
+echo ""
+## useful to know which computer did the job!
+uname -a
+echo "processing res file for: " ${1}
+
+
+
+##################################################
+# make local copies for executables/data
+# because they are used extensively
+
+for fullpath in ./build1 ./scoredat.exe ./distances300r.exe ./eval300.exe ./tRNA_score.exe
+do
+
+ myfile="${fullpath##*/}"
+ mydir="${fullpath:0:${#fullpath} - ${#filename}}"
+
+if [ ! -e /tmp/${myfile} ] || [ ${fullpath} -nt /tmp/${myfile} ]
+then
+ # copy if file not there or if
+ # the source one is newer than the local copy
+ cp --verbose ${fullpath} /tmp/${myfile}
+fi
+
+done
+
+
+
+##################################################
+# merge .dat files into one
+#
+
+if [ -e ${1}.dat ]
+then
+ echo ${1} " already merged!"
+else
+ ## proceed with computation
+ ## this is where the 100 dat files are
+ ## merged into 1 single large file
+ ls ${1}_???.dat | wc -l
+ ./modmerge ./ "${1}_???.dat" > ${1}.dat
+fi
+rm -f ${1}_???.dat
+
+
+
+##################################################
+# make the .res file
+#
+
+if [ -e ${1}.res.gz ]
+then
+ echo ${1} " already resed!"
+elif [ -e ${1}.dat ]
+then
+ ## this will also reduce the nfsd traffic
+ ## copy over the local versions
+
+ ## copy the DAT file
+ cp --verbose ${1}.dat /tmp/
+ ## copy the static PDB file
+ cp --verbose `grep -h "Static molecule" ${1}*.dat | head -1 | awk '{print $4}'` /tmp/
+ ## copy the mobile PDB file
+ cp --verbose `grep -h "Mobile molecule" ${1}*.dat | head -1 | awk '{print $4}'` /tmp/
+
+ ## proceed with computation
+ ## remember that all execs/data are local
+ echo "computing res file..."
+ /tmp/scoredat.exe /tmp/distances300r.exe /tmp/eval300.exe /tmp/${1}.dat /tmp/tRNA_score.exe > /tmp/${1}.res
+
+ gzip -9 /tmp/${1}.res
+ mv /tmp/${1}.res.gz ${1}.res.gz
+ echo "done with " ${1}
+
+ ## cleanup
+ rm /tmp/${1}.dat
+fi
Property changes on: SwiftApps/modFTDock/Scoring/scoredat.bat
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+ *
Added: SwiftApps/modFTDock/Scoring/scoredat.exe
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Added: SwiftApps/modFTDock/Scoring/tRNA_score.exe
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___________________________________________________________________
Added: svn:executable
+ *
Added: svn:mime-type
+ application/octet-stream
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