Browse entries in the PDBbind-CN Database
HEADER 6G2E_COMPLEX COMPND 6G2E_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 79 VAL LYS PHE GLN VAL GLY ASP LEU VAL TRP SER LYS VAL SEQRES 2 A 79 GLY THR TYR PRO TRP TRP PRO CYS MET VAL SER SER ASP SEQRES 3 A 79 PRO GLN LEU GLU VAL HIS THR LYS ILE ASN THR ARG GLY SEQRES 4 A 79 ALA ARG GLU TYR HIS VAL GLN PHE PHE SER ASN GLN PRO SEQRES 5 A 79 GLU ARG ALA TRP VAL HIS GLU LYS ARG VAL ARG GLU TYR SEQRES 6 A 79 LYS GLY HIS LYS GLN TYR GLU GLU LEU LEU ALA GLU ALA SEQRES 7 A 79 THR SEQRES 1 A 42 LYS ILE ARG LYS PRO ARG PRO GLN ARG GLU ARG ALA GLN SEQRES 2 A 42 TRP ASP ILE GLY ILE ALA HIS ALA GLU LYS ALA LEU LYS SEQRES 3 A 42 MET THR ARG GLU GLU ARG ILE GLU GLN TYR THR PHE ILE SEQRES 4 A 42 TYR ILE ASP HET EHH A 206 43 ATOM 1 N VAL A 266 -23.181 2.358 -7.374 1.00 51.46 N ATOM 2 CA VAL A 266 -22.552 3.667 -7.594 1.00 50.25 C ATOM 3 C VAL A 266 -21.843 4.166 -6.316 1.00 52.35 C ATOM 4 O VAL A 266 -22.502 4.581 -5.361 1.00 54.26 O ATOM 5 CB VAL A 266 -23.521 4.739 -8.174 1.00 53.89 C ATOM 6 CG1 VAL A 266 -22.743 5.911 -8.769 1.00 53.49 C ATOM 7 CG2 VAL A 266 -24.467 4.148 -9.216 1.00 53.82 C ATOM 8 HN3 VAL A 266 -23.884 2.436 -6.612 1.00 0.00 H ATOM 9 HN2 VAL A 266 -22.453 1.666 -7.105 1.00 0.00 H ATOM 10 HN1 VAL A 266 -23.649 2.048 -8.249 1.00 0.00 H ATOM 11 N LYS A 267 -20.503 4.142 -6.318 1.00 44.95 N ATOM 12 CA LYS A 267 -19.654 4.587 -5.207 1.00 43.15 C ATOM 13 C LYS A 267 -19.080 5.991 -5.449 1.00 43.46 C ATOM 14 O LYS A 267 -18.661 6.652 -4.493 1.00 43.81 O ATOM 15 CB LYS A 267 -18.498 3.596 -4.980 1.00 45.52 C ATOM 16 CG LYS A 267 -18.925 2.243 -4.423 1.00 65.58 C ATOM 17 CD LYS A 267 -17.718 1.341 -4.230 1.00 80.68 C ATOM 18 CE LYS A 267 -18.103 -0.061 -3.831 1.00 93.94 C ATOM 19 NZ LYS A 267 -16.906 -0.921 -3.643 1.00104.23 N ATOM 20 HZ1 LYS A 267 -16.370 -0.967 -4.533 1.00 0.00 H ATOM 21 HZ2 LYS A 267 -16.305 -0.518 -2.896 1.00 0.00 H ATOM 22 HZ3 LYS A 267 -17.208 -1.878 -3.369 1.00 0.00 H ATOM 23 H LYS A 267 -20.030 3.781 -7.171 1.00 0.00 H ATOM 24 N PHE A 268 -19.017 6.430 -6.721 1.00 35.92 N ATOM 25 CA PHE A 268 -18.448 7.742 -7.058 1.00 33.56 C ATOM 26 C PHE A 268 -19.401 8.642 -7.800 1.00 36.39 C ATOM 27 O PHE A 268 -20.236 8.162 -8.568 1.00 37.25 O ATOM 28 CB PHE A 268 -17.123 7.607 -7.829 1.00 33.98 C ATOM 29 CG PHE A 268 -16.059 6.808 -7.110 1.00 34.36 C ATOM 30 CD1 PHE A 268 -15.351 7.358 -6.045 1.00 36.26 C ATOM 31 CD2 PHE A 268 -15.760 5.512 -7.500 1.00 35.85 C ATOM 32 CE1 PHE A 268 -14.374 6.615 -5.374 1.00 36.85 C ATOM 33 CE2 PHE A 268 -14.778 4.771 -6.829 1.00 38.68 C ATOM 34 CZ PHE A 268 -14.095 5.329 -5.770 1.00 36.11 C ATOM 35 H PHE A 268 -19.381 5.824 -7.484 1.00 0.00 H ATOM 36 N GLN A 269 -19.277 9.956 -7.569 1.00 31.97 N ATOM 37 CA GLN A 269 -20.104 10.970 -8.227 1.00 31.75 C ATOM 38 C GLN A 269 -19.220 11.945 -8.987 1.00 32.14 C ATOM 39 O GLN A 269 -18.015 11.982 -8.759 1.00 29.63 O ATOM 40 CB GLN A 269 -20.980 11.731 -7.207 1.00 33.45 C ATOM 41 CG GLN A 269 -21.997 10.847 -6.453 1.00 55.77 C ATOM 42 CD GLN A 269 -23.008 10.148 -7.346 1.00 78.47 C ATOM 43 OE1 GLN A 269 -23.603 10.740 -8.260 1.00 73.23 O ATOM 44 NE2 GLN A 269 -23.246 8.874 -7.072 1.00 69.68 N ATOM 45 HE22 GLN A 269 -22.732 8.403 -6.300 1.00 0.00 H ATOM 46 HE21 GLN A 269 -23.947 8.344 -7.629 1.00 0.00 H ATOM 47 H GLN A 269 -18.557 10.272 -6.888 1.00 0.00 H ATOM 48 N VAL A 270 -19.825 12.758 -9.866 1.00 28.77 N ATOM 49 CA VAL A 270 -19.105 13.770 -10.651 1.00 27.26 C ATOM 50 C VAL A 270 -18.307 14.705 -9.709 1.00 31.88 C ATOM 51 O VAL A 270 -18.848 15.185 -8.713 1.00 31.63 O ATOM 52 CB VAL A 270 -20.109 14.551 -11.556 1.00 29.38 C ATOM 53 CG1 VAL A 270 -19.451 15.762 -12.212 1.00 28.36 C ATOM 54 CG2 VAL A 270 -20.738 13.629 -12.608 1.00 28.84 C ATOM 55 H VAL A 270 -20.853 12.668 -9.998 1.00 0.00 H ATOM 56 N GLY A 271 -17.040 14.933 -10.020 1.00 28.45 N ATOM 57 CA GLY A 271 -16.200 15.812 -9.225 1.00 28.42 C ATOM 58 C GLY A 271 -15.334 15.109 -8.206 1.00 31.27 C ATOM 59 O GLY A 271 -14.436 15.730 -7.639 1.00 31.46 O ATOM 60 H GLY A 271 -16.635 14.469 -10.858 1.00 0.00 H ATOM 61 N ASP A 272 -15.623 13.821 -7.939 1.00 29.18 N ATOM 62 CA ASP A 272 -14.829 12.987 -7.033 1.00 27.38 C ATOM 63 C ASP A 272 -13.437 12.777 -7.622 1.00 31.26 C ATOM 64 O ASP A 272 -13.293 12.531 -8.835 1.00 29.45 O ATOM 65 CB ASP A 272 -15.487 11.615 -6.804 1.00 28.28 C ATOM 66 CG ASP A 272 -16.638 11.601 -5.810 1.00 33.39 C ATOM 67 OD1 ASP A 272 -16.899 12.646 -5.188 1.00 36.35 O ATOM 68 OD2 ASP A 272 -17.279 10.554 -5.670 1.00 35.44 O ATOM 69 H ASP A 272 -16.453 13.396 -8.400 1.00 0.00 H ATOM 70 N LEU A 273 -12.416 12.872 -6.753 1.00 26.73 N ATOM 71 CA LEU A 273 -11.041 12.619 -7.132 1.00 27.24 C ATOM 72 C LEU A 273 -10.760 11.145 -6.917 1.00 30.02 C ATOM 73 O LEU A 273 -11.061 10.575 -5.852 1.00 27.71 O ATOM 74 CB LEU A 273 -10.067 13.499 -6.332 1.00 27.45 C ATOM 75 CG LEU A 273 -10.204 15.007 -6.527 1.00 32.23 C ATOM 76 CD1 LEU A 273 -9.101 15.722 -5.777 1.00 33.18 C ATOM 77 CD2 LEU A 273 -10.158 15.398 -8.018 1.00 31.63 C ATOM 78 H LEU A 273 -12.621 13.138 -5.769 1.00 0.00 H ATOM 79 N VAL A 274 -10.220 10.514 -7.954 1.00 27.18 N ATOM 80 CA VAL A 274 -9.908 9.092 -7.957 1.00 26.07 C ATOM 81 C VAL A 274 -8.558 8.818 -8.589 1.00 28.20 C ATOM 82 O VAL A 274 -8.033 9.650 -9.317 1.00 26.11 O ATOM 83 CB VAL A 274 -11.020 8.250 -8.669 1.00 29.31 C ATOM 84 CG1 VAL A 274 -12.359 8.326 -7.939 1.00 29.02 C ATOM 85 CG2 VAL A 274 -11.185 8.627 -10.157 1.00 28.51 C ATOM 86 H VAL A 274 -10.009 11.066 -8.810 1.00 0.00 H ATOM 87 N TRP A 275 -7.995 7.644 -8.289 1.00 25.99 N ATOM 88 CA TRP A 275 -6.823 7.096 -8.944 1.00 25.79 C ATOM 89 C TRP A 275 -7.391 6.103 -9.944 1.00 28.18 C ATOM 90 O TRP A 275 -8.288 5.340 -9.579 1.00 28.92 O ATOM 91 CB TRP A 275 -5.968 6.289 -7.967 1.00 25.27 C ATOM 92 CG TRP A 275 -5.227 7.073 -6.933 1.00 25.93 C ATOM 93 CD1 TRP A 275 -5.585 7.247 -5.627 1.00 28.80 C ATOM 94 CD2 TRP A 275 -3.923 7.638 -7.075 1.00 25.61 C ATOM 95 NE1 TRP A 275 -4.576 7.891 -4.944 1.00 28.05 N ATOM 96 CE2 TRP A 275 -3.539 8.131 -5.806 1.00 29.38 C ATOM 97 CE3 TRP A 275 -3.015 7.744 -8.146 1.00 26.97 C ATOM 98 CZ2 TRP A 275 -2.298 8.737 -5.585 1.00 28.08 C ATOM 99 CZ3 TRP A 275 -1.801 8.382 -7.932 1.00 28.55 C ATOM 100 CH2 TRP A 275 -1.450 8.858 -6.659 1.00 29.02 C ATOM 101 HE1 TRP A 275 -4.598 8.152 -3.938 1.00 0.00 H ATOM 102 H TRP A 275 -8.429 7.082 -7.530 1.00 0.00 H ATOM 103 N SER A 276 -6.861 6.061 -11.179 1.00 25.28 N ATOM 104 CA SER A 276 -7.309 5.065 -12.166 1.00 24.65 C ATOM 105 C SER A 276 -6.112 4.298 -12.681 1.00 28.06 C ATOM 106 O SER A 276 -5.088 4.910 -12.979 1.00 28.71 O ATOM 107 CB SER A 276 -8.037 5.715 -13.341 1.00 25.43 C ATOM 108 OG SER A 276 -9.151 6.469 -12.903 1.00 30.41 O ATOM 109 HG SER A 276 -9.600 6.876 -13.685 1.00 0.00 H ATOM 110 H SER A 276 -6.122 6.744 -11.441 1.00 0.00 H ATOM 111 N LYS A 277 -6.249 2.966 -12.821 1.00 27.04 N ATOM 112 CA LYS A 277 -5.196 2.069 -13.325 1.00 27.65 C ATOM 113 C LYS A 277 -5.637 1.626 -14.714 1.00 32.54 C ATOM 114 O LYS A 277 -6.584 0.849 -14.831 1.00 31.17 O ATOM 115 CB LYS A 277 -5.002 0.866 -12.369 1.00 29.93 C ATOM 116 CG LYS A 277 -3.843 -0.080 -12.753 1.00 35.73 C ATOM 117 CD LYS A 277 -2.459 0.458 -12.341 1.00 42.23 C ATOM 118 CE LYS A 277 -1.337 -0.521 -12.644 1.00 46.04 C ATOM 119 NZ LYS A 277 -0.939 -0.478 -14.078 1.00 51.83 N ATOM 120 HZ1 LYS A 277 -1.757 -0.724 -14.671 1.00 0.00 H ATOM 121 HZ2 LYS A 277 -0.611 0.480 -14.317 1.00 0.00 H ATOM 122 HZ3 LYS A 277 -0.171 -1.160 -14.244 1.00 0.00 H ATOM 123 H LYS A 277 -7.161 2.542 -12.555 1.00 0.00 H ATOM 124 N VAL A 278 -5.001 2.172 -15.768 1.00 29.94 N ATOM 125 CA VAL A 278 -5.412 1.924 -17.149 1.00 30.07 C ATOM 126 C VAL A 278 -4.239 1.463 -18.031 1.00 35.49 C ATOM 127 O VAL A 278 -3.188 2.097 -18.052 1.00 33.93 O ATOM 128 CB VAL A 278 -6.120 3.189 -17.724 1.00 33.90 C ATOM 129 CG1 VAL A 278 -6.424 3.048 -19.214 1.00 34.26 C ATOM 130 CG2 VAL A 278 -7.397 3.526 -16.948 1.00 33.02 C ATOM 131 H VAL A 278 -4.186 2.794 -15.593 1.00 0.00 H ATOM 132 N GLY A 279 -4.461 0.390 -18.781 1.00 33.97 N ATOM 133 CA GLY A 279 -3.473 -0.162 -19.699 1.00 33.79 C ATOM 134 C GLY A 279 -2.132 -0.410 -19.045 1.00 35.80 C ATOM 135 O GLY A 279 -2.067 -1.012 -17.974 1.00 36.07 O ATOM 136 H GLY A 279 -5.386 -0.080 -18.710 1.00 0.00 H ATOM 137 N THR A 280 -1.077 0.142 -19.646 1.00 32.53 N ATOM 138 CA THR A 280 0.312 0.002 -19.190 1.00 31.90 C ATOM 139 C THR A 280 0.734 1.116 -18.239 1.00 34.99 C ATOM 140 O THR A 280 1.890 1.164 -17.818 1.00 34.20 O ATOM 141 CB THR A 280 1.262 -0.015 -20.409 1.00 42.45 C ATOM 142 OG1 THR A 280 1.183 1.230 -21.101 1.00 38.03 O ATOM 143 CG2 THR A 280 0.990 -1.164 -21.350 1.00 40.20 C ATOM 144 HG1 THR A 280 1.794 1.212 -21.880 1.00 0.00 H ATOM 145 H THR A 280 -1.250 0.712 -20.498 1.00 0.00 H ATOM 146 N TYR A 281 -0.196 2.021 -17.909 1.00 31.20 N ATOM 147 CA TYR A 281 0.109 3.179 -17.089 1.00 30.24 C ATOM 148 C TYR A 281 -0.015 2.928 -15.592 1.00 32.14 C ATOM 149 O TYR A 281 -0.830 2.108 -15.152 1.00 31.28 O ATOM 150 CB TYR A 281 -0.750 4.373 -17.537 1.00 31.73 C ATOM 151 CG TYR A 281 -0.463 4.794 -18.963 1.00 34.42 C ATOM 152 CD1 TYR A 281 -1.118 4.189 -20.032 1.00 37.34 C ATOM 153 CD2 TYR A 281 0.469 5.788 -19.245 1.00 35.72 C ATOM 154 CE1 TYR A 281 -0.861 4.569 -21.346 1.00 38.76 C ATOM 155 CE2 TYR A 281 0.755 6.157 -20.562 1.00 37.13 C ATOM 156 CZ TYR A 281 0.081 5.546 -21.607 1.00 46.79 C ATOM 157 OH TYR A 281 0.327 5.895 -22.915 1.00 53.26 O ATOM 158 HH TYR A 281 -0.246 5.353 -23.513 1.00 0.00 H ATOM 159 H TYR A 281 -1.169 1.890 -18.252 1.00 0.00 H ATOM 160 N PRO A 282 0.788 3.643 -14.778 1.00 28.87 N ATOM 161 CA PRO A 282 0.670 3.488 -13.321 1.00 27.92 C ATOM 162 C PRO A 282 -0.624 4.127 -12.813 1.00 30.68 C ATOM 163 O PRO A 282 -1.247 4.901 -13.555 1.00 29.17 O ATOM 164 CB PRO A 282 1.876 4.282 -12.805 1.00 29.78 C ATOM 165 CG PRO A 282 2.077 5.353 -13.799 1.00 33.48 C ATOM 166 CD PRO A 282 1.788 4.681 -15.126 1.00 29.92 C ATOM 167 N TRP A 283 -1.024 3.825 -11.558 1.00 28.02 N ATOM 168 CA TRP A 283 -2.184 4.464 -10.922 1.00 28.61 C ATOM 169 C TRP A 283 -2.058 5.979 -11.180 1.00 32.27 C ATOM 170 O TRP A 283 -0.991 6.570 -10.946 1.00 31.11 O ATOM 171 CB TRP A 283 -2.182 4.169 -9.430 1.00 27.96 C ATOM 172 CG TRP A 283 -2.601 2.766 -9.111 1.00 29.34 C ATOM 173 CD1 TRP A 283 -1.789 1.701 -8.835 1.00 32.40 C ATOM 174 CD2 TRP A 283 -3.943 2.274 -9.055 1.00 29.11 C ATOM 175 NE1 TRP A 283 -2.550 0.576 -8.601 1.00 31.69 N ATOM 176 CE2 TRP A 283 -3.875 0.902 -8.718 1.00 33.04 C ATOM 177 CE3 TRP A 283 -5.204 2.868 -9.230 1.00 30.18 C ATOM 178 CZ2 TRP A 283 -5.020 0.114 -8.555 1.00 32.64 C ATOM 179 CZ3 TRP A 283 -6.340 2.082 -9.087 1.00 32.26 C ATOM 180 CH2 TRP A 283 -6.242 0.722 -8.747 1.00 33.20 C ATOM 181 HE1 TRP A 283 -2.178 -0.368 -8.372 1.00 0.00 H ATOM 182 H TRP A 283 -0.490 3.112 -11.021 1.00 0.00 H ATOM 183 N TRP A 284 -3.105 6.568 -11.778 1.00 28.20 N ATOM 184 CA TRP A 284 -3.063 7.936 -12.251 1.00 26.78 C ATOM 185 C TRP A 284 -4.109 8.837 -11.611 1.00 26.70 C ATOM 186 O TRP A 284 -5.257 8.418 -11.523 1.00 27.54 O ATOM 187 CB TRP A 284 -3.231 7.925 -13.785 1.00 26.29 C ATOM 188 CG TRP A 284 -2.593 9.103 -14.458 1.00 27.60 C ATOM 189 CD1 TRP A 284 -3.109 10.363 -14.579 1.00 30.57 C ATOM 190 CD2 TRP A 284 -1.277 9.149 -15.024 1.00 27.74 C ATOM 191 NE1 TRP A 284 -2.194 11.194 -15.193 1.00 30.42 N ATOM 192 CE2 TRP A 284 -1.076 10.464 -15.513 1.00 32.21 C ATOM 193 CE3 TRP A 284 -0.273 8.183 -15.243 1.00 28.79 C ATOM 194 CZ2 TRP A 284 0.097 10.845 -16.170 1.00 31.88 C ATOM 195 CZ3 TRP A 284 0.883 8.559 -15.904 1.00 30.42 C ATOM 196 CH2 TRP A 284 1.060 9.872 -16.366 1.00 31.15 C ATOM 197 HE1 TRP A 284 -2.329 12.208 -15.382 1.00 0.00 H ATOM 198 H TRP A 284 -3.980 6.021 -11.907 1.00 0.00 H ATOM 199 N PRO A 285 -3.752 10.091 -11.230 1.00 23.47 N ATOM 200 CA PRO A 285 -4.766 11.011 -10.647 1.00 23.50 C ATOM 201 C PRO A 285 -5.824 11.414 -11.697 1.00 26.47 C ATOM 202 O PRO A 285 -5.477 11.794 -12.825 1.00 25.26 O ATOM 203 CB PRO A 285 -3.931 12.221 -10.202 1.00 24.08 C ATOM 204 CG PRO A 285 -2.717 12.193 -11.069 1.00 28.07 C ATOM 205 CD PRO A 285 -2.413 10.733 -11.279 1.00 24.17 C ATOM 206 N CYS A 286 -7.110 11.269 -11.323 1.00 24.37 N ATOM 207 CA CYS A 286 -8.287 11.519 -12.161 1.00 23.95 C ATOM 208 C CYS A 286 -9.399 12.274 -11.442 1.00 25.70 C ATOM 209 O CYS A 286 -9.436 12.334 -10.218 1.00 24.90 O ATOM 210 CB CYS A 286 -8.830 10.191 -12.693 1.00 23.80 C ATOM 211 SG CYS A 286 -7.677 9.278 -13.743 1.00 27.53 S ATOM 212 H CYS A 286 -7.284 10.950 -10.349 1.00 0.00 H ATOM 213 N MET A 287 -10.362 12.775 -12.222 1.00 23.43 N ATOM 214 CA MET A 287 -11.600 13.352 -11.683 1.00 23.13 C ATOM 215 C MET A 287 -12.758 12.664 -12.403 1.00 26.59 C ATOM 216 O MET A 287 -12.750 12.606 -13.635 1.00 24.77 O ATOM 217 CB MET A 287 -11.672 14.884 -11.846 1.00 24.72 C ATOM 218 CG MET A 287 -12.926 15.475 -11.185 1.00 27.35 C ATOM 219 SD MET A 287 -13.183 17.242 -11.439 1.00 30.10 S ATOM 220 CE MET A 287 -13.653 17.290 -13.132 1.00 26.66 C ATOM 221 H MET A 287 -10.229 12.755 -13.253 1.00 0.00 H ATOM 222 N VAL A 288 -13.740 12.131 -11.639 1.00 24.31 N ATOM 223 CA VAL A 288 -14.953 11.524 -12.201 1.00 24.61 C ATOM 224 C VAL A 288 -15.753 12.634 -12.911 1.00 26.71 C ATOM 225 O VAL A 288 -15.912 13.737 -12.382 1.00 26.74 O ATOM 226 CB VAL A 288 -15.807 10.799 -11.110 1.00 28.78 C ATOM 227 CG1 VAL A 288 -17.081 10.206 -11.711 1.00 28.84 C ATOM 228 CG2 VAL A 288 -14.993 9.707 -10.411 1.00 28.60 C ATOM 229 H VAL A 288 -13.630 12.152 -10.605 1.00 0.00 H ATOM 230 N SER A 289 -16.220 12.354 -14.119 1.00 23.18 N ATOM 231 CA SER A 289 -16.991 13.338 -14.875 1.00 22.58 C ATOM 232 C SER A 289 -18.086 12.630 -15.700 1.00 28.33 C ATOM 233 O SER A 289 -17.998 11.435 -15.940 1.00 26.89 O ATOM 234 CB SER A 289 -16.059 14.126 -15.796 1.00 23.68 C ATOM 235 OG SER A 289 -15.549 13.292 -16.831 1.00 28.17 O ATOM 236 HG SER A 289 -14.949 13.821 -17.414 1.00 0.00 H ATOM 237 H SER A 289 -16.035 11.419 -14.535 1.00 0.00 H ATOM 238 N SER A 290 -19.069 13.391 -16.190 1.00 27.78 N ATOM 239 CA SER A 290 -20.124 12.862 -17.061 1.00 28.08 C ATOM 240 C SER A 290 -19.590 12.712 -18.505 1.00 32.15 C ATOM 241 O SER A 290 -18.930 13.617 -19.015 1.00 32.19 O ATOM 242 CB SER A 290 -21.328 13.802 -17.023 1.00 32.69 C ATOM 243 OG SER A 290 -22.439 13.263 -17.714 1.00 48.05 O ATOM 244 HG SER A 290 -23.196 13.899 -17.667 1.00 0.00 H ATOM 245 H SER A 290 -19.087 14.401 -15.943 1.00 0.00 H ATOM 246 N ASP A 291 -19.797 11.540 -19.130 1.00 29.68 N ATOM 247 CA ASP A 291 -19.366 11.307 -20.513 1.00 30.62 C ATOM 248 C ASP A 291 -20.049 12.377 -21.406 1.00 37.37 C ATOM 249 O ASP A 291 -21.239 12.631 -21.226 1.00 36.25 O ATOM 250 CB ASP A 291 -19.753 9.883 -20.972 1.00 32.33 C ATOM 251 CG ASP A 291 -19.371 9.549 -22.407 1.00 42.02 C ATOM 252 OD1 ASP A 291 -19.907 10.193 -23.332 1.00 45.14 O ATOM 253 OD2 ASP A 291 -18.555 8.641 -22.603 1.00 45.53 O ATOM 254 H ASP A 291 -20.278 10.774 -18.617 1.00 0.00 H ATOM 255 N PRO A 292 -19.316 13.059 -22.317 1.00 38.64 N ATOM 256 CA PRO A 292 -19.949 14.119 -23.131 1.00 40.06 C ATOM 257 C PRO A 292 -21.141 13.694 -24.002 1.00 48.09 C ATOM 258 O PRO A 292 -22.011 14.526 -24.272 1.00 48.97 O ATOM 259 CB PRO A 292 -18.787 14.639 -23.985 1.00 41.47 C ATOM 260 CG PRO A 292 -17.817 13.498 -24.032 1.00 45.18 C ATOM 261 CD PRO A 292 -17.882 12.935 -22.645 1.00 40.48 C ATOM 262 N GLN A 293 -21.184 12.413 -24.426 1.00 45.49 N ATOM 263 CA GLN A 293 -22.229 11.845 -25.288 1.00 45.78 C ATOM 264 C GLN A 293 -23.297 11.038 -24.548 1.00 47.98 C ATOM 265 O GLN A 293 -24.485 11.214 -24.823 1.00 47.66 O ATOM 266 CB GLN A 293 -21.603 10.988 -26.399 1.00 47.78 C ATOM 267 CG GLN A 293 -21.081 11.807 -27.579 1.00 70.86 C ATOM 268 CD GLN A 293 -19.590 12.013 -27.521 1.00 93.59 C ATOM 269 OE1 GLN A 293 -18.802 11.098 -27.781 1.00 92.04 O ATOM 270 NE2 GLN A 293 -19.169 13.230 -27.227 1.00 85.17 N ATOM 271 HE22 GLN A 293 -19.856 13.980 -27.012 1.00 0.00 H ATOM 272 HE21 GLN A 293 -18.150 13.438 -27.210 1.00 0.00 H ATOM 273 H GLN A 293 -20.418 11.780 -24.119 1.00 0.00 H ATOM 274 N LEU A 294 -22.890 10.149 -23.623 1.00 41.89 N ATOM 275 CA LEU A 294 -23.852 9.327 -22.886 1.00 41.00 C ATOM 276 C LEU A 294 -24.546 10.086 -21.767 1.00 42.81 C ATOM 277 O LEU A 294 -25.576 9.631 -21.267 1.00 42.38 O ATOM 278 CB LEU A 294 -23.194 8.039 -22.356 1.00 41.29 C ATOM 279 CG LEU A 294 -22.611 7.091 -23.411 1.00 46.11 C ATOM 280 CD1 LEU A 294 -21.759 6.025 -22.764 1.00 45.87 C ATOM 281 CD2 LEU A 294 -23.718 6.447 -24.259 1.00 49.43 C ATOM 282 H LEU A 294 -21.874 10.044 -23.428 1.00 0.00 H ATOM 283 N GLU A 295 -23.953 11.230 -21.353 1.00 38.26 N ATOM 284 CA GLU A 295 -24.422 12.126 -20.288 1.00 37.90 C ATOM 285 C GLU A 295 -24.614 11.398 -18.942 1.00 40.45 C ATOM 286 O GLU A 295 -25.511 11.729 -18.155 1.00 41.39 O ATOM 287 CB GLU A 295 -25.671 12.921 -20.725 1.00 38.97 C ATOM 288 CG GLU A 295 -25.369 13.861 -21.879 1.00 47.04 C ATOM 289 CD GLU A 295 -26.528 14.715 -22.366 1.00 69.82 C ATOM 290 OE1 GLU A 295 -27.670 14.203 -22.425 1.00 59.87 O ATOM 291 OE2 GLU A 295 -26.281 15.887 -22.731 1.00 59.73 O ATOM 292 H GLU A 295 -23.075 11.503 -21.839 1.00 0.00 H ATOM 293 N VAL A 296 -23.729 10.411 -18.677 1.00 35.33 N ATOM 294 CA VAL A 296 -23.665 9.642 -17.427 1.00 33.63 C ATOM 295 C VAL A 296 -22.188 9.550 -16.989 1.00 34.66 C ATOM 296 O VAL A 296 -21.302 9.498 -17.848 1.00 33.19 O ATOM 297 CB VAL A 296 -24.306 8.227 -17.510 1.00 38.11 C ATOM 298 CG1 VAL A 296 -25.831 8.295 -17.506 1.00 38.38 C ATOM 299 CG2 VAL A 296 -23.783 7.428 -18.703 1.00 38.05 C ATOM 300 H VAL A 296 -23.038 10.177 -19.418 1.00 0.00 H ATOM 301 N HIS A 297 -21.935 9.506 -15.672 1.00 30.24 N ATOM 302 CA HIS A 297 -20.581 9.380 -15.122 1.00 29.20 C ATOM 303 C HIS A 297 -20.300 7.909 -14.757 1.00 33.21 C ATOM 304 O HIS A 297 -19.180 7.542 -14.378 1.00 32.42 O ATOM 305 CB HIS A 297 -20.405 10.310 -13.904 1.00 29.55 C ATOM 306 CG HIS A 297 -21.104 9.809 -12.683 1.00 33.36 C ATOM 307 ND1 HIS A 297 -22.448 10.049 -12.479 1.00 35.34 N ATOM 308 CD2 HIS A 297 -20.639 9.022 -11.682 1.00 35.34 C ATOM 309 CE1 HIS A 297 -22.758 9.423 -11.355 1.00 35.24 C ATOM 310 NE2 HIS A 297 -21.700 8.789 -10.838 1.00 35.45 N ATOM 311 H HIS A 297 -22.736 9.564 -15.011 1.00 0.00 H ATOM 312 N THR A 298 -21.345 7.074 -14.835 1.00 30.28 N ATOM 313 CA THR A 298 -21.252 5.656 -14.528 1.00 30.18 C ATOM 314 C THR A 298 -22.164 4.862 -15.464 1.00 34.17 C ATOM 315 O THR A 298 -23.126 5.424 -16.007 1.00 32.57 O ATOM 316 CB THR A 298 -21.512 5.388 -13.029 1.00 33.44 C ATOM 317 OG1 THR A 298 -21.173 4.039 -12.744 1.00 33.21 O ATOM 318 CG2 THR A 298 -22.961 5.667 -12.607 1.00 35.44 C ATOM 319 HG1 THR A 298 -20.217 3.889 -12.953 1.00 0.00 H ATOM 320 H THR A 298 -22.266 7.458 -15.129 1.00 0.00 H ATOM 321 N LYS A 299 -21.837 3.577 -15.669 1.00 31.10 N ATOM 322 CA LYS A 299 -22.621 2.662 -16.512 1.00 31.56 C ATOM 323 C LYS A 299 -22.247 1.233 -16.238 1.00 36.53 C ATOM 324 O LYS A 299 -21.187 0.945 -15.662 1.00 35.33 O ATOM 325 CB LYS A 299 -22.421 2.964 -18.024 1.00 33.72 C ATOM 326 CG LYS A 299 -21.099 2.461 -18.591 1.00 38.81 C ATOM 327 CD LYS A 299 -20.914 2.844 -20.017 1.00 40.24 C ATOM 328 CE LYS A 299 -19.667 2.205 -20.558 1.00 43.12 C ATOM 329 NZ LYS A 299 -19.316 2.758 -21.895 1.00 45.08 N ATOM 330 HZ1 LYS A 299 -20.096 2.579 -22.559 1.00 0.00 H ATOM 331 HZ2 LYS A 299 -19.157 3.783 -21.814 1.00 0.00 H ATOM 332 HZ3 LYS A 299 -18.451 2.298 -22.243 1.00 0.00 H ATOM 333 H LYS A 299 -20.982 3.208 -15.206 1.00 0.00 H ATOM 334 N ILE A 300 -23.096 0.319 -16.718 1.00 33.84 N ATOM 335 CA ILE A 300 -22.808 -1.105 -16.673 1.00 32.95 C ATOM 336 C ILE A 300 -22.331 -1.400 -18.087 1.00 36.87 C ATOM 337 O ILE A 300 -22.992 -0.989 -19.057 1.00 36.53 O ATOM 338 CB ILE A 300 -24.067 -1.927 -16.248 1.00 36.40 C ATOM 339 CG1 ILE A 300 -24.621 -1.453 -14.863 1.00 37.24 C ATOM 340 CG2 ILE A 300 -23.794 -3.427 -16.255 1.00 36.28 C ATOM 341 CD1 ILE A 300 -23.627 -1.522 -13.656 1.00 48.88 C ATOM 342 H ILE A 300 -23.993 0.637 -17.138 1.00 0.00 H ATOM 343 N ASN A 301 -21.160 -2.042 -18.208 1.00 32.89 N ATOM 344 CA ASN A 301 -20.554 -2.373 -19.497 1.00 34.07 C ATOM 345 C ASN A 301 -21.168 -3.638 -20.133 1.00 40.02 C ATOM 346 O ASN A 301 -22.020 -4.287 -19.519 1.00 37.72 O ATOM 347 CB ASN A 301 -19.006 -2.462 -19.375 1.00 34.60 C ATOM 348 CG ASN A 301 -18.446 -3.622 -18.577 1.00 52.80 C ATOM 349 OD1 ASN A 301 -19.054 -4.691 -18.419 1.00 43.43 O ATOM 350 ND2 ASN A 301 -17.212 -3.469 -18.137 1.00 43.22 N ATOM 351 HD22 ASN A 301 -16.718 -2.565 -18.279 1.00 0.00 H ATOM 352 HD21 ASN A 301 -16.733 -4.252 -17.648 1.00 0.00 H ATOM 353 H ASN A 301 -20.657 -2.319 -17.341 1.00 0.00 H ATOM 354 N THR A 302 -20.689 -4.009 -21.337 1.00 40.41 N ATOM 355 CA THR A 302 -21.163 -5.159 -22.133 1.00 41.45 C ATOM 356 C THR A 302 -20.877 -6.521 -21.480 1.00 45.93 C ATOM 357 O THR A 302 -21.426 -7.540 -21.917 1.00 45.03 O ATOM 358 CB THR A 302 -20.617 -5.076 -23.556 1.00 54.39 C ATOM 359 OG1 THR A 302 -19.193 -5.015 -23.509 1.00 57.29 O ATOM 360 CG2 THR A 302 -21.164 -3.882 -24.315 1.00 55.42 C ATOM 361 HG1 THR A 302 -18.836 -4.961 -24.431 1.00 0.00 H ATOM 362 H THR A 302 -19.920 -3.436 -21.740 1.00 0.00 H ATOM 363 N ARG A 303 -20.034 -6.539 -20.429 1.00 42.70 N ATOM 364 CA ARG A 303 -19.721 -7.746 -19.662 1.00 42.12 C ATOM 365 C ARG A 303 -20.503 -7.760 -18.340 1.00 43.73 C ATOM 366 O ARG A 303 -20.356 -8.689 -17.544 1.00 43.80 O ATOM 367 CB ARG A 303 -18.206 -7.893 -19.443 1.00 44.44 C ATOM 368 CG ARG A 303 -17.462 -8.339 -20.695 1.00 60.82 C ATOM 369 CD ARG A 303 -15.967 -8.414 -20.464 1.00 80.05 C ATOM 370 NE ARG A 303 -15.241 -8.650 -21.714 1.00 97.57 N ATOM 371 CZ ARG A 303 -13.919 -8.760 -21.809 1.00117.12 C ATOM 372 NH1 ARG A 303 -13.157 -8.662 -20.726 1.00108.64 N ATOM 373 NH2 ARG A 303 -13.348 -8.971 -22.988 1.00104.35 N ATOM 374 HE ARG A 303 -15.798 -8.738 -22.588 1.00 0.00 H ATOM 375 HH12 ARG A 303 -12.124 -8.749 -20.807 1.00 0.00 H ATOM 376 HH11 ARG A 303 -13.593 -8.498 -19.796 1.00 0.00 H ATOM 377 HH22 ARG A 303 -12.314 -9.056 -23.057 1.00 0.00 H ATOM 378 HH21 ARG A 303 -13.935 -9.051 -23.843 1.00 0.00 H ATOM 379 H ARG A 303 -19.581 -5.646 -20.147 1.00 0.00 H ATOM 380 N GLY A 304 -21.338 -6.740 -18.135 1.00 39.11 N ATOM 381 CA GLY A 304 -22.187 -6.607 -16.951 1.00 38.26 C ATOM 382 C GLY A 304 -21.511 -6.021 -15.727 1.00 42.36 C ATOM 383 O GLY A 304 -22.009 -6.181 -14.610 1.00 42.01 O ATOM 384 H GLY A 304 -21.388 -5.996 -18.859 1.00 0.00 H ATOM 385 N ALA A 305 -20.389 -5.299 -15.926 1.00 37.96 N ATOM 386 CA ALA A 305 -19.637 -4.720 -14.821 1.00 37.11 C ATOM 387 C ALA A 305 -19.709 -3.202 -14.785 1.00 40.02 C ATOM 388 O ALA A 305 -19.813 -2.564 -15.835 1.00 39.86 O ATOM 389 CB ALA A 305 -18.197 -5.187 -14.881 1.00 37.67 C ATOM 390 H ALA A 305 -20.051 -5.151 -16.898 1.00 0.00 H ATOM 391 N ARG A 306 -19.664 -2.618 -13.577 1.00 35.54 N ATOM 392 CA ARG A 306 -19.727 -1.166 -13.449 1.00 34.97 C ATOM 393 C ARG A 306 -18.415 -0.494 -13.886 1.00 35.19 C ATOM 394 O ARG A 306 -17.321 -0.990 -13.603 1.00 33.67 O ATOM 395 CB ARG A 306 -20.137 -0.720 -12.038 1.00 36.00 C ATOM 396 CG ARG A 306 -20.295 0.808 -11.917 1.00 43.01 C ATOM 397 CD ARG A 306 -21.080 1.270 -10.714 1.00 47.92 C ATOM 398 NE ARG A 306 -22.433 0.706 -10.661 1.00 52.94 N ATOM 399 CZ ARG A 306 -23.503 1.204 -11.277 1.00 64.73 C ATOM 400 NH1 ARG A 306 -24.686 0.621 -11.134 1.00 59.05 N ATOM 401 NH2 ARG A 306 -23.398 2.279 -12.049 1.00 41.49 N ATOM 402 HE ARG A 306 -22.568 -0.156 -10.094 1.00 0.00 H ATOM 403 HH12 ARG A 306 -25.520 1.012 -11.616 1.00 0.00 H ATOM 404 HH11 ARG A 306 -24.779 -0.227 -10.540 1.00 0.00 H ATOM 405 HH22 ARG A 306 -24.240 2.661 -12.526 1.00 0.00 H ATOM 406 HH21 ARG A 306 -22.474 2.739 -12.177 1.00 0.00 H ATOM 407 H ARG A 306 -19.583 -3.207 -12.724 1.00 0.00 H ATOM 408 N GLU A 307 -18.561 0.615 -14.616 1.00 32.15 N ATOM 409 CA GLU A 307 -17.460 1.460 -15.070 1.00 31.40 C ATOM 410 C GLU A 307 -17.744 2.920 -14.684 1.00 34.69 C ATOM 411 O GLU A 307 -18.901 3.306 -14.520 1.00 34.55 O ATOM 412 CB GLU A 307 -17.226 1.327 -16.588 1.00 32.51 C ATOM 413 CG GLU A 307 -16.583 0.014 -17.025 1.00 33.80 C ATOM 414 CD GLU A 307 -16.353 -0.125 -18.520 1.00 43.53 C ATOM 415 OE1 GLU A 307 -16.793 0.765 -19.282 1.00 38.84 O ATOM 416 OE2 GLU A 307 -15.747 -1.139 -18.936 1.00 39.93 O ATOM 417 H GLU A 307 -19.527 0.897 -14.880 1.00 0.00 H ATOM 418 N TYR A 308 -16.679 3.720 -14.520 1.00 29.61 N ATOM 419 CA TYR A 308 -16.775 5.141 -14.220 1.00 28.76 C ATOM 420 C TYR A 308 -16.080 5.915 -15.303 1.00 28.55 C ATOM 421 O TYR A 308 -15.074 5.453 -15.839 1.00 27.14 O ATOM 422 CB TYR A 308 -16.144 5.492 -12.859 1.00 29.95 C ATOM 423 CG TYR A 308 -16.943 4.938 -11.703 1.00 31.72 C ATOM 424 CD1 TYR A 308 -18.098 5.577 -11.258 1.00 33.63 C ATOM 425 CD2 TYR A 308 -16.573 3.749 -11.083 1.00 32.65 C ATOM 426 CE1 TYR A 308 -18.862 5.048 -10.217 1.00 35.34 C ATOM 427 CE2 TYR A 308 -17.322 3.216 -10.034 1.00 33.78 C ATOM 428 CZ TYR A 308 -18.475 3.860 -9.619 1.00 39.31 C ATOM 429 OH TYR A 308 -19.202 3.338 -8.586 1.00 42.58 O ATOM 430 HH TYR A 308 -19.990 3.913 -8.415 1.00 0.00 H ATOM 431 H TYR A 308 -15.732 3.301 -14.612 1.00 0.00 H ATOM 432 N HIS A 309 -16.629 7.068 -15.637 1.00 24.13 N ATOM 433 CA HIS A 309 -16.056 7.945 -16.648 1.00 23.86 C ATOM 434 C HIS A 309 -15.129 8.912 -15.929 1.00 25.42 C ATOM 435 O HIS A 309 -15.541 9.550 -14.969 1.00 24.07 O ATOM 436 CB HIS A 309 -17.142 8.703 -17.415 1.00 24.54 C ATOM 437 CG HIS A 309 -16.578 9.575 -18.489 1.00 27.01 C ATOM 438 ND1 HIS A 309 -16.216 10.891 -18.238 1.00 28.54 N ATOM 439 CD2 HIS A 309 -16.288 9.274 -19.775 1.00 28.62 C ATOM 440 CE1 HIS A 309 -15.737 11.350 -19.386 1.00 28.16 C ATOM 441 NE2 HIS A 309 -15.734 10.398 -20.328 1.00 28.15 N ATOM 442 H HIS A 309 -17.505 7.361 -15.159 1.00 0.00 H ATOM 443 N VAL A 310 -13.860 8.988 -16.364 1.00 23.05 N ATOM 444 CA VAL A 310 -12.897 9.853 -15.663 1.00 22.75 C ATOM 445 C VAL A 310 -12.134 10.750 -16.624 1.00 26.39 C ATOM 446 O VAL A 310 -11.949 10.396 -17.791 1.00 25.92 O ATOM 447 CB VAL A 310 -11.905 9.021 -14.780 1.00 27.01 C ATOM 448 CG1 VAL A 310 -12.650 8.162 -13.742 1.00 27.36 C ATOM 449 CG2 VAL A 310 -10.964 8.150 -15.637 1.00 26.72 C ATOM 450 H VAL A 310 -13.559 8.437 -17.193 1.00 0.00 H ATOM 451 N GLN A 311 -11.614 11.852 -16.093 1.00 22.11 N ATOM 452 CA GLN A 311 -10.701 12.768 -16.763 1.00 22.22 C ATOM 453 C GLN A 311 -9.342 12.494 -16.140 1.00 26.77 C ATOM 454 O GLN A 311 -9.242 12.443 -14.910 1.00 25.30 O ATOM 455 CB GLN A 311 -11.051 14.220 -16.415 1.00 23.24 C ATOM 456 CG GLN A 311 -12.396 14.678 -16.953 1.00 27.40 C ATOM 457 CD GLN A 311 -12.603 16.171 -16.898 1.00 30.28 C ATOM 458 OE1 GLN A 311 -13.584 16.671 -17.426 1.00 28.57 O ATOM 459 NE2 GLN A 311 -11.700 16.934 -16.284 1.00 27.42 N ATOM 460 HE22 GLN A 311 -10.868 16.498 -15.837 1.00 0.00 H ATOM 461 HE21 GLN A 311 -11.827 17.966 -16.251 1.00 0.00 H ATOM 462 H GLN A 311 -11.882 12.080 -15.114 1.00 0.00 H ATOM 463 N PHE A 312 -8.289 12.389 -16.954 1.00 23.69 N ATOM 464 CA PHE A 312 -6.943 12.209 -16.419 1.00 23.88 C ATOM 465 C PHE A 312 -6.293 13.581 -16.202 1.00 28.01 C ATOM 466 O PHE A 312 -6.292 14.401 -17.122 1.00 28.42 O ATOM 467 CB PHE A 312 -6.066 11.377 -17.379 1.00 25.50 C ATOM 468 CG PHE A 312 -6.493 9.938 -17.466 1.00 26.10 C ATOM 469 CD1 PHE A 312 -7.552 9.559 -18.283 1.00 28.11 C ATOM 470 CD2 PHE A 312 -5.853 8.960 -16.711 1.00 27.79 C ATOM 471 CE1 PHE A 312 -8.006 8.245 -18.293 1.00 28.84 C ATOM 472 CE2 PHE A 312 -6.275 7.633 -16.766 1.00 30.41 C ATOM 473 CZ PHE A 312 -7.343 7.283 -17.566 1.00 27.91 C ATOM 474 H PHE A 312 -8.430 12.436 -17.983 1.00 0.00 H ATOM 475 N PHE A 313 -5.779 13.838 -14.993 1.00 24.55 N ATOM 476 CA PHE A 313 -5.032 15.068 -14.697 1.00 24.55 C ATOM 477 C PHE A 313 -3.693 14.894 -15.366 1.00 30.07 C ATOM 478 O PHE A 313 -3.040 13.867 -15.156 1.00 29.67 O ATOM 479 CB PHE A 313 -4.830 15.260 -13.191 1.00 26.03 C ATOM 480 CG PHE A 313 -6.065 15.742 -12.472 1.00 26.71 C ATOM 481 CD1 PHE A 313 -6.522 17.049 -12.637 1.00 29.26 C ATOM 482 CD2 PHE A 313 -6.751 14.909 -11.602 1.00 27.00 C ATOM 483 CE1 PHE A 313 -7.628 17.516 -11.920 1.00 28.50 C ATOM 484 CE2 PHE A 313 -7.872 15.375 -10.901 1.00 29.52 C ATOM 485 CZ PHE A 313 -8.289 16.678 -11.052 1.00 27.26 C ATOM 486 H PHE A 313 -5.914 13.140 -14.234 1.00 0.00 H ATOM 487 N SER A 314 -3.277 15.887 -16.165 1.00 27.85 N ATOM 488 CA SER A 314 -2.072 15.798 -16.995 1.00 28.98 C ATOM 489 C SER A 314 -1.952 17.074 -17.826 1.00 36.70 C ATOM 490 O SER A 314 -2.897 17.861 -17.878 1.00 36.68 O ATOM 491 CB SER A 314 -2.277 14.661 -18.003 1.00 30.93 C ATOM 492 OG SER A 314 -1.202 14.453 -18.896 1.00 34.71 O ATOM 493 HG SER A 314 -1.421 13.705 -19.506 1.00 0.00 H ATOM 494 H SER A 314 -3.836 16.763 -16.198 1.00 0.00 H ATOM 495 N ASN A 315 -0.834 17.210 -18.577 1.00 34.58 N ATOM 496 CA ASN A 315 -0.647 18.296 -19.542 1.00 35.12 C ATOM 497 C ASN A 315 -1.348 17.870 -20.841 1.00 39.80 C ATOM 498 O ASN A 315 -1.618 18.712 -21.693 1.00 40.43 O ATOM 499 CB ASN A 315 0.848 18.554 -19.804 1.00 38.06 C ATOM 500 CG ASN A 315 1.566 17.343 -20.362 1.00 61.37 C ATOM 501 OD1 ASN A 315 1.530 16.247 -19.780 1.00 52.25 O ATOM 502 ND2 ASN A 315 2.150 17.491 -21.546 1.00 52.72 N ATOM 503 HD22 ASN A 315 2.163 18.423 -22.007 1.00 0.00 H ATOM 504 HD21 ASN A 315 2.595 16.675 -22.012 1.00 0.00 H ATOM 505 H ASN A 315 -0.072 16.511 -18.464 1.00 0.00 H ATOM 506 N GLN A 316 -1.646 16.552 -20.983 1.00 34.92 N ATOM 507 CA GLN A 316 -2.331 15.973 -22.135 1.00 33.51 C ATOM 508 C GLN A 316 -3.752 15.568 -21.673 1.00 37.61 C ATOM 509 O GLN A 316 -3.908 14.517 -21.056 1.00 36.63 O ATOM 510 CB GLN A 316 -1.540 14.766 -22.664 1.00 34.14 C ATOM 511 CG GLN A 316 -2.205 14.006 -23.825 1.00 35.47 C ATOM 512 CD GLN A 316 -1.521 12.688 -24.098 1.00 52.84 C ATOM 513 OE1 GLN A 316 -0.334 12.505 -23.815 1.00 49.18 O ATOM 514 NE2 GLN A 316 -2.246 11.742 -24.677 1.00 44.41 N ATOM 515 HE22 GLN A 316 -3.245 11.919 -24.906 1.00 0.00 H ATOM 516 HE21 GLN A 316 -1.816 10.822 -24.902 1.00 0.00 H ATOM 517 H GLN A 316 -1.366 15.909 -20.215 1.00 0.00 H ATOM 518 N PRO A 317 -4.788 16.399 -21.903 1.00 35.00 N ATOM 519 CA PRO A 317 -6.133 16.032 -21.413 1.00 34.08 C ATOM 520 C PRO A 317 -6.727 14.829 -22.124 1.00 34.83 C ATOM 521 O PRO A 317 -6.726 14.774 -23.345 1.00 34.76 O ATOM 522 CB PRO A 317 -6.950 17.307 -21.605 1.00 36.14 C ATOM 523 CG PRO A 317 -6.245 18.063 -22.674 1.00 41.19 C ATOM 524 CD PRO A 317 -4.795 17.710 -22.593 1.00 36.92 C ATOM 525 N GLU A 318 -7.180 13.830 -21.350 1.00 27.93 N ATOM 526 CA GLU A 318 -7.773 12.606 -21.881 1.00 26.70 C ATOM 527 C GLU A 318 -8.857 12.140 -20.921 1.00 28.07 C ATOM 528 O GLU A 318 -8.801 12.451 -19.729 1.00 25.94 O ATOM 529 CB GLU A 318 -6.727 11.468 -22.020 1.00 27.87 C ATOM 530 CG GLU A 318 -5.576 11.702 -23.002 1.00 38.06 C ATOM 531 CD GLU A 318 -5.871 11.924 -24.479 1.00 47.29 C ATOM 532 OE1 GLU A 318 -7.027 11.721 -24.914 1.00 33.93 O ATOM 533 OE2 GLU A 318 -4.922 12.270 -25.217 1.00 44.38 O ATOM 534 H GLU A 318 -7.105 13.933 -20.318 1.00 0.00 H ATOM 535 N ARG A 319 -9.787 11.345 -21.434 1.00 24.84 N ATOM 536 CA ARG A 319 -10.885 10.754 -20.671 1.00 25.40 C ATOM 537 C ARG A 319 -10.958 9.261 -20.990 1.00 29.56 C ATOM 538 O ARG A 319 -10.433 8.824 -22.024 1.00 28.54 O ATOM 539 CB ARG A 319 -12.235 11.440 -21.026 1.00 26.32 C ATOM 540 CG ARG A 319 -12.468 11.507 -22.556 1.00 40.56 C ATOM 541 CD ARG A 319 -13.899 11.654 -23.014 1.00 55.81 C ATOM 542 NE ARG A 319 -14.649 10.402 -22.928 1.00 67.04 N ATOM 543 CZ ARG A 319 -14.651 9.451 -23.855 1.00 84.69 C ATOM 544 NH1 ARG A 319 -15.361 8.346 -23.675 1.00 80.42 N ATOM 545 NH2 ARG A 319 -13.930 9.590 -24.962 1.00 67.03 N ATOM 546 HE ARG A 319 -15.225 10.244 -22.076 1.00 0.00 H ATOM 547 HH12 ARG A 319 -15.360 7.603 -24.403 1.00 0.00 H ATOM 548 HH11 ARG A 319 -15.919 8.222 -22.806 1.00 0.00 H ATOM 549 HH22 ARG A 319 -13.936 8.841 -25.684 1.00 0.00 H ATOM 550 HH21 ARG A 319 -13.359 10.447 -25.107 1.00 0.00 H ATOM 551 H ARG A 319 -9.731 11.127 -22.449 1.00 0.00 H ATOM 552 N ALA A 320 -11.612 8.474 -20.117 1.00 27.43 N ATOM 553 CA ALA A 320 -11.809 7.038 -20.372 1.00 26.95 C ATOM 554 C ALA A 320 -12.883 6.485 -19.469 1.00 30.37 C ATOM 555 O ALA A 320 -13.117 7.028 -18.383 1.00 28.94 O ATOM 556 CB ALA A 320 -10.509 6.261 -20.123 1.00 27.52 C ATOM 557 H ALA A 320 -11.987 8.890 -19.241 1.00 0.00 H ATOM 558 N TRP A 321 -13.505 5.375 -19.901 1.00 28.26 N ATOM 559 CA TRP A 321 -14.400 4.575 -19.066 1.00 28.35 C ATOM 560 C TRP A 321 -13.476 3.558 -18.412 1.00 31.03 C ATOM 561 O TRP A 321 -12.698 2.887 -19.101 1.00 30.16 O ATOM 562 CB TRP A 321 -15.499 3.874 -19.890 1.00 27.14 C ATOM 563 CG TRP A 321 -16.619 4.804 -20.221 1.00 27.87 C ATOM 564 CD1 TRP A 321 -16.788 5.509 -21.375 1.00 30.85 C ATOM 565 CD2 TRP A 321 -17.669 5.220 -19.337 1.00 27.33 C ATOM 566 NE1 TRP A 321 -17.910 6.300 -21.284 1.00 30.41 N ATOM 567 CE2 TRP A 321 -18.482 6.125 -20.050 1.00 31.04 C ATOM 568 CE3 TRP A 321 -18.052 4.845 -18.037 1.00 28.46 C ATOM 569 CZ2 TRP A 321 -19.641 6.682 -19.502 1.00 30.36 C ATOM 570 CZ3 TRP A 321 -19.198 5.408 -17.491 1.00 29.55 C ATOM 571 CH2 TRP A 321 -19.985 6.304 -18.222 1.00 29.86 C ATOM 572 HE1 TRP A 321 -18.267 6.929 -22.031 1.00 0.00 H ATOM 573 H TRP A 321 -13.341 5.069 -20.881 1.00 0.00 H ATOM 574 N VAL A 322 -13.518 3.483 -17.075 1.00 28.17 N ATOM 575 CA VAL A 322 -12.629 2.613 -16.314 1.00 27.36 C ATOM 576 C VAL A 322 -13.455 1.671 -15.431 1.00 32.39 C ATOM 577 O VAL A 322 -14.367 2.128 -14.739 1.00 31.41 O ATOM 578 CB VAL A 322 -11.617 3.448 -15.469 1.00 30.39 C ATOM 579 CG1 VAL A 322 -10.602 2.544 -14.757 1.00 30.61 C ATOM 580 CG2 VAL A 322 -10.884 4.479 -16.332 1.00 29.54 C ATOM 581 H VAL A 322 -14.209 4.066 -16.562 1.00 0.00 H ATOM 582 N HIS A 323 -13.113 0.368 -15.453 1.00 31.57 N ATOM 583 CA HIS A 323 -13.742 -0.666 -14.629 1.00 32.71 C ATOM 584 C HIS A 323 -13.641 -0.257 -13.149 1.00 36.05 C ATOM 585 O HIS A 323 -12.578 0.187 -12.711 1.00 35.35 O ATOM 586 CB HIS A 323 -13.043 -2.024 -14.865 1.00 34.22 C ATOM 587 CG HIS A 323 -13.793 -3.204 -14.316 1.00 38.22 C ATOM 588 ND1 HIS A 323 -13.767 -3.513 -12.971 1.00 40.44 N ATOM 589 CD2 HIS A 323 -14.533 -4.137 -14.960 1.00 40.58 C ATOM 590 CE1 HIS A 323 -14.516 -4.599 -12.830 1.00 40.00 C ATOM 591 NE2 HIS A 323 -14.987 -5.017 -14.000 1.00 40.34 N ATOM 592 H HIS A 323 -12.351 0.077 -16.099 1.00 0.00 H ATOM 593 N GLU A 324 -14.747 -0.365 -12.392 1.00 33.21 N ATOM 594 CA GLU A 324 -14.770 0.004 -10.970 1.00 34.54 C ATOM 595 C GLU A 324 -13.612 -0.613 -10.136 1.00 38.32 C ATOM 596 O GLU A 324 -13.126 0.052 -9.223 1.00 38.60 O ATOM 597 CB GLU A 324 -16.145 -0.275 -10.321 1.00 36.53 C ATOM 598 CG GLU A 324 -16.592 -1.731 -10.347 1.00 48.32 C ATOM 599 CD GLU A 324 -17.828 -2.042 -9.522 1.00 69.58 C ATOM 600 OE1 GLU A 324 -18.097 -3.243 -9.295 1.00 67.54 O ATOM 601 OE2 GLU A 324 -18.530 -1.092 -9.103 1.00 61.43 O ATOM 602 H GLU A 324 -15.620 -0.723 -12.830 1.00 0.00 H ATOM 603 N LYS A 325 -13.137 -1.834 -10.484 1.00 34.77 N ATOM 604 CA LYS A 325 -12.015 -2.492 -9.777 1.00 34.72 C ATOM 605 C LYS A 325 -10.662 -1.784 -10.027 1.00 37.84 C ATOM 606 O LYS A 325 -9.693 -2.022 -9.298 1.00 37.27 O ATOM 607 CB LYS A 325 -11.901 -3.974 -10.182 1.00 36.92 C ATOM 608 CG LYS A 325 -12.968 -4.878 -9.575 1.00 49.29 C ATOM 609 CD LYS A 325 -12.819 -6.312 -10.079 1.00 60.31 C ATOM 610 CE LYS A 325 -13.992 -7.182 -9.693 1.00 72.37 C ATOM 611 NZ LYS A 325 -13.764 -8.602 -10.066 1.00 79.34 N ATOM 612 HZ1 LYS A 325 -13.627 -8.671 -11.095 1.00 0.00 H ATOM 613 HZ2 LYS A 325 -12.917 -8.956 -9.578 1.00 0.00 H ATOM 614 HZ3 LYS A 325 -14.589 -9.170 -9.786 1.00 0.00 H ATOM 615 H LYS A 325 -13.580 -2.331 -11.283 1.00 0.00 H ATOM 616 N ARG A 326 -10.593 -0.953 -11.080 1.00 33.57 N ATOM 617 CA ARG A 326 -9.387 -0.201 -11.439 1.00 32.63 C ATOM 618 C ARG A 326 -9.501 1.280 -11.029 1.00 34.68 C ATOM 619 O ARG A 326 -8.722 2.109 -11.495 1.00 32.34 O ATOM 620 CB ARG A 326 -9.078 -0.359 -12.936 1.00 35.67 C ATOM 621 CG ARG A 326 -8.837 -1.799 -13.384 1.00 47.84 C ATOM 622 CD ARG A 326 -7.372 -2.178 -13.471 1.00 63.33 C ATOM 623 NE ARG A 326 -7.187 -3.292 -14.403 1.00 77.01 N ATOM 624 CZ ARG A 326 -6.830 -3.162 -15.678 1.00 91.10 C ATOM 625 NH1 ARG A 326 -6.715 -4.232 -16.453 1.00 79.76 N ATOM 626 NH2 ARG A 326 -6.579 -1.960 -16.186 1.00 74.73 N ATOM 627 HE ARG A 326 -7.346 -4.254 -14.042 1.00 0.00 H ATOM 628 HH12 ARG A 326 -6.436 -4.125 -17.449 1.00 0.00 H ATOM 629 HH11 ARG A 326 -6.904 -5.178 -16.065 1.00 0.00 H ATOM 630 HH22 ARG A 326 -6.300 -1.865 -17.183 1.00 0.00 H ATOM 631 HH21 ARG A 326 -6.661 -1.114 -15.586 1.00 0.00 H ATOM 632 H ARG A 326 -11.440 -0.837 -11.672 1.00 0.00 H ATOM 633 N VAL A 327 -10.457 1.606 -10.129 1.00 32.29 N ATOM 634 CA VAL A 327 -10.675 2.966 -9.618 1.00 31.84 C ATOM 635 C VAL A 327 -10.583 2.957 -8.076 1.00 37.60 C ATOM 636 O VAL A 327 -11.194 2.091 -7.441 1.00 37.87 O ATOM 637 CB VAL A 327 -12.034 3.561 -10.115 1.00 34.30 C ATOM 638 CG1 VAL A 327 -12.268 4.961 -9.580 1.00 33.92 C ATOM 639 CG2 VAL A 327 -12.127 3.569 -11.641 1.00 33.70 C ATOM 640 H VAL A 327 -11.075 0.847 -9.777 1.00 0.00 H ATOM 641 N ARG A 328 -9.843 3.920 -7.479 1.00 33.46 N ATOM 642 CA ARG A 328 -9.739 4.055 -6.006 1.00 33.01 C ATOM 643 C ARG A 328 -9.943 5.507 -5.626 1.00 35.98 C ATOM 644 O ARG A 328 -9.496 6.374 -6.366 1.00 33.94 O ATOM 645 CB ARG A 328 -8.347 3.622 -5.479 1.00 32.51 C ATOM 646 CG ARG A 328 -7.931 2.177 -5.782 1.00 39.91 C ATOM 647 CD ARG A 328 -8.603 1.124 -4.913 1.00 44.09 C ATOM 648 NE ARG A 328 -8.095 -0.211 -5.240 1.00 46.56 N ATOM 649 CZ ARG A 328 -8.595 -0.999 -6.188 1.00 62.41 C ATOM 650 NH1 ARG A 328 -8.056 -2.189 -6.422 1.00 53.02 N ATOM 651 NH2 ARG A 328 -9.637 -0.603 -6.909 1.00 47.68 N ATOM 652 HE ARG A 328 -7.286 -0.568 -4.692 1.00 0.00 H ATOM 653 HH12 ARG A 328 -8.450 -2.802 -7.164 1.00 0.00 H ATOM 654 HH11 ARG A 328 -7.239 -2.509 -5.863 1.00 0.00 H ATOM 655 HH22 ARG A 328 -10.023 -1.223 -7.649 1.00 0.00 H ATOM 656 HH21 ARG A 328 -10.067 0.328 -6.734 1.00 0.00 H ATOM 657 H ARG A 328 -9.325 4.594 -8.079 1.00 0.00 H ATOM 658 N GLU A 329 -10.531 5.785 -4.447 1.00 32.22 N ATOM 659 CA GLU A 329 -10.666 7.161 -3.954 1.00 32.34 C ATOM 660 C GLU A 329 -9.267 7.811 -3.820 1.00 34.57 C ATOM 661 O GLU A 329 -8.314 7.159 -3.376 1.00 34.41 O ATOM 662 CB GLU A 329 -11.412 7.192 -2.602 1.00 33.48 C ATOM 663 CG GLU A 329 -11.544 8.583 -1.996 1.00 44.25 C ATOM 664 CD GLU A 329 -12.057 8.659 -0.569 1.00 65.87 C ATOM 665 OE1 GLU A 329 -12.065 9.778 -0.007 1.00 60.08 O ATOM 666 OE2 GLU A 329 -12.459 7.610 -0.015 1.00 56.66 O ATOM 667 H GLU A 329 -10.900 5.003 -3.869 1.00 0.00 H ATOM 668 N TYR A 330 -9.126 9.049 -4.301 1.00 30.71 N ATOM 669 CA TYR A 330 -7.865 9.773 -4.204 1.00 29.88 C ATOM 670 C TYR A 330 -7.874 10.540 -2.873 1.00 35.74 C ATOM 671 O TYR A 330 -8.604 11.514 -2.728 1.00 33.98 O ATOM 672 CB TYR A 330 -7.660 10.723 -5.398 1.00 29.23 C ATOM 673 CG TYR A 330 -6.322 11.430 -5.411 1.00 28.76 C ATOM 674 CD1 TYR A 330 -6.130 12.618 -4.707 1.00 30.94 C ATOM 675 CD2 TYR A 330 -5.267 10.954 -6.182 1.00 28.59 C ATOM 676 CE1 TYR A 330 -4.913 13.299 -4.751 1.00 30.22 C ATOM 677 CE2 TYR A 330 -4.054 11.636 -6.250 1.00 29.26 C ATOM 678 CZ TYR A 330 -3.875 12.800 -5.519 1.00 32.97 C ATOM 679 OH TYR A 330 -2.676 13.466 -5.577 1.00 31.15 O ATOM 680 HH TYR A 330 -2.718 14.270 -5.000 1.00 0.00 H ATOM 681 H TYR A 330 -9.939 9.509 -4.758 1.00 0.00 H ATOM 682 N LYS A 331 -7.064 10.091 -1.910 1.00 34.28 N ATOM 683 CA LYS A 331 -6.973 10.730 -0.587 1.00 34.51 C ATOM 684 C LYS A 331 -5.775 11.677 -0.521 1.00 38.36 C ATOM 685 O LYS A 331 -5.765 12.595 0.287 1.00 40.06 O ATOM 686 CB LYS A 331 -6.887 9.665 0.520 1.00 36.91 C ATOM 687 CG LYS A 331 -8.157 8.830 0.669 1.00 55.00 C ATOM 688 CD LYS A 331 -7.875 7.511 1.389 1.00 65.57 C ATOM 689 CE LYS A 331 -9.122 6.691 1.624 1.00 77.17 C ATOM 690 NZ LYS A 331 -9.984 7.276 2.690 1.00 89.98 N ATOM 691 HZ1 LYS A 331 -9.450 7.318 3.582 1.00 0.00 H ATOM 692 HZ2 LYS A 331 -10.274 8.235 2.412 1.00 0.00 H ATOM 693 HZ3 LYS A 331 -10.827 6.681 2.817 1.00 0.00 H ATOM 694 H LYS A 331 -6.474 9.256 -2.103 1.00 0.00 H ATOM 695 N GLY A 332 -4.794 11.459 -1.384 1.00 34.10 N ATOM 696 CA GLY A 332 -3.584 12.269 -1.457 1.00 32.91 C ATOM 697 C GLY A 332 -2.498 11.582 -2.243 1.00 35.32 C ATOM 698 O GLY A 332 -2.543 10.363 -2.382 1.00 35.19 O ATOM 699 H GLY A 332 -4.893 10.664 -2.048 1.00 0.00 H ATOM 700 N HIS A 333 -1.510 12.346 -2.760 1.00 32.52 N ATOM 701 CA HIS A 333 -0.413 11.800 -3.559 1.00 33.63 C ATOM 702 C HIS A 333 0.408 10.703 -2.853 1.00 39.28 C ATOM 703 O HIS A 333 0.905 9.804 -3.528 1.00 38.15 O ATOM 704 CB HIS A 333 0.511 12.910 -4.089 1.00 35.44 C ATOM 705 CG HIS A 333 1.422 13.534 -3.067 1.00 39.82 C ATOM 706 ND1 HIS A 333 0.960 14.489 -2.167 1.00 42.46 N ATOM 707 CD2 HIS A 333 2.747 13.353 -2.867 1.00 42.15 C ATOM 708 CE1 HIS A 333 2.012 14.840 -1.441 1.00 41.81 C ATOM 709 NE2 HIS A 333 3.113 14.194 -1.832 1.00 42.19 N ATOM 710 H HIS A 333 -1.531 13.370 -2.581 1.00 0.00 H ATOM 711 N LYS A 334 0.549 10.781 -1.509 1.00 38.18 N ATOM 712 CA LYS A 334 1.328 9.817 -0.706 1.00 38.69 C ATOM 713 C LYS A 334 0.682 8.425 -0.626 1.00 41.01 C ATOM 714 O LYS A 334 1.334 7.459 -0.209 1.00 40.94 O ATOM 715 CB LYS A 334 1.630 10.383 0.697 1.00 41.45 C ATOM 716 CG LYS A 334 2.617 11.547 0.687 1.00 53.68 C ATOM 717 CD LYS A 334 2.823 12.105 2.095 1.00 67.34 C ATOM 718 CE LYS A 334 4.008 13.037 2.203 1.00 78.65 C ATOM 719 NZ LYS A 334 3.746 14.370 1.597 1.00 90.28 N ATOM 720 HZ1 LYS A 334 3.523 14.253 0.588 1.00 0.00 H ATOM 721 HZ2 LYS A 334 2.942 14.818 2.082 1.00 0.00 H ATOM 722 HZ3 LYS A 334 4.591 14.968 1.699 1.00 0.00 H ATOM 723 H LYS A 334 0.081 11.566 -1.013 1.00 0.00 H ATOM 724 N GLN A 335 -0.586 8.315 -1.065 1.00 35.28 N ATOM 725 CA GLN A 335 -1.341 7.059 -1.143 1.00 33.98 C ATOM 726 C GLN A 335 -0.763 6.121 -2.245 1.00 36.27 C ATOM 727 O GLN A 335 -1.081 4.936 -2.255 1.00 35.42 O ATOM 728 CB GLN A 335 -2.822 7.387 -1.415 1.00 34.77 C ATOM 729 CG GLN A 335 -3.826 6.246 -1.330 1.00 43.18 C ATOM 730 CD GLN A 335 -5.168 6.651 -1.902 1.00 50.18 C ATOM 731 OE1 GLN A 335 -5.434 7.829 -2.186 1.00 38.38 O ATOM 732 NE2 GLN A 335 -6.036 5.674 -2.124 1.00 44.22 N ATOM 733 HE22 GLN A 335 -5.790 4.694 -1.877 1.00 0.00 H ATOM 734 HE21 GLN A 335 -6.963 5.887 -2.545 1.00 0.00 H ATOM 735 H GLN A 335 -1.066 9.185 -1.372 1.00 0.00 H ATOM 736 N TYR A 336 0.062 6.646 -3.166 1.00 33.09 N ATOM 737 CA TYR A 336 0.618 5.860 -4.283 1.00 33.19 C ATOM 738 C TYR A 336 1.284 4.531 -3.822 1.00 38.06 C ATOM 739 O TYR A 336 0.957 3.468 -4.363 1.00 36.75 O ATOM 740 CB TYR A 336 1.558 6.715 -5.159 1.00 33.74 C ATOM 741 CG TYR A 336 2.022 5.994 -6.404 1.00 34.62 C ATOM 742 CD1 TYR A 336 1.185 5.865 -7.512 1.00 35.25 C ATOM 743 CD2 TYR A 336 3.304 5.453 -6.485 1.00 35.35 C ATOM 744 CE1 TYR A 336 1.591 5.171 -8.647 1.00 33.57 C ATOM 745 CE2 TYR A 336 3.731 4.776 -7.628 1.00 36.06 C ATOM 746 CZ TYR A 336 2.861 4.620 -8.698 1.00 41.50 C ATOM 747 OH TYR A 336 3.258 3.945 -9.822 1.00 39.90 O ATOM 748 HH TYR A 336 4.042 4.401 -10.220 1.00 0.00 H ATOM 749 H TYR A 336 0.320 7.651 -3.088 1.00 0.00 H ATOM 750 N GLU A 337 2.133 4.590 -2.773 1.00 37.21 N ATOM 751 CA GLU A 337 2.813 3.427 -2.159 1.00 37.92 C ATOM 752 C GLU A 337 1.813 2.339 -1.740 1.00 42.04 C ATOM 753 O GLU A 337 2.061 1.147 -1.983 1.00 41.67 O ATOM 754 CB GLU A 337 3.579 3.856 -0.904 1.00 39.65 C ATOM 755 CG GLU A 337 4.806 4.710 -1.146 1.00 55.14 C ATOM 756 CD GLU A 337 5.710 4.817 0.071 1.00 79.69 C ATOM 757 OE1 GLU A 337 5.210 4.661 1.211 1.00 57.30 O ATOM 758 OE2 GLU A 337 6.925 5.048 -0.120 1.00 82.74 O ATOM 759 H GLU A 337 2.324 5.527 -2.364 1.00 0.00 H ATOM 760 N GLU A 338 0.694 2.756 -1.099 1.00 37.58 N ATOM 761 CA GLU A 338 -0.380 1.865 -0.648 1.00 38.15 C ATOM 762 C GLU A 338 -1.012 1.117 -1.824 1.00 42.66 C ATOM 763 O GLU A 338 -1.330 -0.072 -1.697 1.00 41.22 O ATOM 764 CB GLU A 338 -1.468 2.648 0.101 1.00 39.86 C ATOM 765 CG GLU A 338 -0.987 3.334 1.370 1.00 51.30 C ATOM 766 CD GLU A 338 -1.957 4.340 1.965 1.00 78.55 C ATOM 767 OE1 GLU A 338 -3.185 4.090 1.936 1.00 71.82 O ATOM 768 OE2 GLU A 338 -1.480 5.377 2.481 1.00 77.23 O ATOM 769 H GLU A 338 0.590 3.774 -0.915 1.00 0.00 H ATOM 770 N LEU A 339 -1.179 1.814 -2.978 1.00 38.54 N ATOM 771 CA LEU A 339 -1.748 1.218 -4.190 1.00 38.30 C ATOM 772 C LEU A 339 -0.832 0.147 -4.747 1.00 43.80 C ATOM 773 O LEU A 339 -1.322 -0.915 -5.124 1.00 44.00 O ATOM 774 CB LEU A 339 -2.054 2.278 -5.266 1.00 37.56 C ATOM 775 CG LEU A 339 -3.033 3.383 -4.856 1.00 41.65 C ATOM 776 CD1 LEU A 339 -3.002 4.508 -5.837 1.00 41.26 C ATOM 777 CD2 LEU A 339 -4.452 2.857 -4.714 1.00 44.55 C ATOM 778 H LEU A 339 -0.891 2.813 -3.002 1.00 0.00 H ATOM 779 N LEU A 340 0.491 0.405 -4.781 1.00 42.19 N ATOM 780 CA LEU A 340 1.473 -0.582 -5.251 1.00 43.26 C ATOM 781 C LEU A 340 1.464 -1.806 -4.320 1.00 50.28 C ATOM 782 O LEU A 340 1.550 -2.939 -4.799 1.00 50.16 O ATOM 783 CB LEU A 340 2.889 0.007 -5.317 1.00 43.35 C ATOM 784 CG LEU A 340 3.168 1.129 -6.322 1.00 47.79 C ATOM 785 CD1 LEU A 340 4.495 1.779 -6.023 1.00 47.77 C ATOM 786 CD2 LEU A 340 3.135 0.625 -7.760 1.00 49.33 C ATOM 787 H LEU A 340 0.829 1.336 -4.463 1.00 0.00 H ATOM 788 N ALA A 341 1.293 -1.564 -2.998 1.00 47.89 N ATOM 789 CA ALA A 341 1.249 -2.590 -1.951 1.00 48.31 C ATOM 790 C ALA A 341 0.043 -3.527 -2.056 1.00 53.62 C ATOM 791 O ALA A 341 0.105 -4.644 -1.539 1.00 54.41 O ATOM 792 CB ALA A 341 1.302 -1.939 -0.573 1.00 48.99 C ATOM 793 H ALA A 341 1.184 -0.573 -2.702 1.00 0.00 H ATOM 794 N GLU A 342 -1.036 -3.096 -2.735 1.00 51.00 N ATOM 795 CA GLU A 342 -2.247 -3.908 -2.943 1.00 51.93 C ATOM 796 C GLU A 342 -1.944 -5.149 -3.811 1.00 58.66 C ATOM 797 O GLU A 342 -2.600 -6.182 -3.660 1.00 58.07 O ATOM 798 CB GLU A 342 -3.375 -3.073 -3.576 1.00 53.35 C ATOM 799 CG GLU A 342 -3.971 -2.025 -2.649 1.00 62.79 C ATOM 800 CD GLU A 342 -5.041 -1.114 -3.227 1.00 81.05 C ATOM 801 OE1 GLU A 342 -5.599 -1.439 -4.300 1.00 64.01 O ATOM 802 OE2 GLU A 342 -5.347 -0.087 -2.579 1.00 78.33 O ATOM 803 H GLU A 342 -1.013 -2.136 -3.135 1.00 0.00 H ATOM 804 N ALA A 343 -0.935 -5.031 -4.701 1.00 57.45 N ATOM 805 CA ALA A 343 -0.448 -6.078 -5.606 1.00 58.46 C ATOM 806 C ALA A 343 0.494 -7.054 -4.875 1.00 64.43 C ATOM 807 O ALA A 343 0.638 -8.200 -5.310 1.00 64.49 O ATOM 808 CB ALA A 343 0.276 -5.441 -6.787 1.00 59.21 C ATOM 809 H ALA A 343 -0.457 -4.109 -4.749 1.00 0.00 H ATOM 810 N THR A 344 1.122 -6.580 -3.761 1.00 61.63 N ATOM 811 CA THR A 344 2.063 -7.266 -2.864 1.00 82.42 C ATOM 812 C THR A 344 3.330 -7.664 -3.610 1.00124.76 C ATOM 813 O THR A 344 4.171 -6.806 -3.867 1.00 93.38 O ATOM 814 CB THR A 344 1.408 -8.432 -2.094 1.00 89.66 C ATOM 815 OG1 THR A 344 0.062 -8.091 -1.750 1.00 88.49 O ATOM 816 CG2 THR A 344 2.180 -8.807 -0.834 1.00 88.22 C ATOM 817 HG1 THR A 344 -0.352 -8.843 -1.257 1.00 0.00 H ATOM 818 H THR A 344 0.904 -5.594 -3.511 1.00 0.00 H TER 819 THR A 344 ATOM 820 N LYS A 355 12.258 -7.451 -1.959 1.00 50.17 N ATOM 821 CA LYS A 355 11.280 -6.444 -2.393 1.00 50.00 C ATOM 822 C LYS A 355 11.545 -5.983 -3.827 1.00 52.15 C ATOM 823 O LYS A 355 12.659 -5.582 -4.153 1.00 50.64 O ATOM 824 CB LYS A 355 11.265 -5.231 -1.448 1.00 53.50 C ATOM 825 CG LYS A 355 10.629 -5.488 -0.089 1.00 73.20 C ATOM 826 CD LYS A 355 10.724 -4.241 0.781 1.00 85.72 C ATOM 827 CE LYS A 355 10.398 -4.513 2.225 1.00 96.86 C ATOM 828 NZ LYS A 355 10.791 -3.372 3.092 1.00105.85 N ATOM 829 HZ1 LYS A 355 11.815 -3.211 3.008 1.00 0.00 H ATOM 830 HZ2 LYS A 355 10.279 -2.518 2.792 1.00 0.00 H ATOM 831 HZ3 LYS A 355 10.553 -3.591 4.080 1.00 0.00 H ATOM 832 HN3 LYS A 355 13.214 -7.045 -2.002 1.00 0.00 H ATOM 833 HN2 LYS A 355 12.203 -8.279 -2.586 1.00 0.00 H ATOM 834 HN1 LYS A 355 12.047 -7.740 -0.982 1.00 0.00 H ATOM 835 N ILE A 356 10.509 -6.020 -4.673 1.00 49.05 N ATOM 836 CA ILE A 356 10.606 -5.665 -6.088 1.00 48.32 C ATOM 837 C ILE A 356 9.818 -4.391 -6.381 1.00 53.04 C ATOM 838 O ILE A 356 8.685 -4.241 -5.929 1.00 52.69 O ATOM 839 CB ILE A 356 10.162 -6.854 -7.004 1.00 50.74 C ATOM 840 CG1 ILE A 356 10.959 -8.145 -6.725 1.00 50.69 C ATOM 841 CG2 ILE A 356 10.250 -6.476 -8.469 1.00 50.17 C ATOM 842 CD1 ILE A 356 10.323 -9.484 -7.296 1.00 54.07 C ATOM 843 H ILE A 356 9.584 -6.318 -4.304 1.00 0.00 H ATOM 844 N ARG A 357 10.419 -3.494 -7.166 1.00 50.40 N ATOM 845 CA ARG A 357 9.814 -2.238 -7.574 1.00 50.21 C ATOM 846 C ARG A 357 10.036 -2.038 -9.067 1.00 51.56 C ATOM 847 O ARG A 357 11.160 -2.175 -9.554 1.00 49.67 O ATOM 848 CB ARG A 357 10.415 -1.075 -6.753 1.00 53.44 C ATOM 849 CG ARG A 357 9.727 0.271 -6.949 1.00 70.31 C ATOM 850 CD ARG A 357 10.071 1.280 -5.856 1.00 86.91 C ATOM 851 NE ARG A 357 11.502 1.595 -5.783 1.00 98.77 N ATOM 852 CZ ARG A 357 12.113 2.524 -6.515 1.00116.51 C ATOM 853 NH1 ARG A 357 11.431 3.235 -7.405 1.00104.92 N ATOM 854 NH2 ARG A 357 13.414 2.740 -6.369 1.00105.57 N ATOM 855 HE ARG A 357 12.081 1.053 -5.110 1.00 0.00 H ATOM 856 HH12 ARG A 357 11.915 3.959 -7.973 1.00 0.00 H ATOM 857 HH11 ARG A 357 10.413 3.068 -7.534 1.00 0.00 H ATOM 858 HH22 ARG A 357 13.888 3.467 -6.943 1.00 0.00 H ATOM 859 HH21 ARG A 357 13.960 2.183 -5.681 1.00 0.00 H ATOM 860 H ARG A 357 11.378 -3.707 -7.506 1.00 0.00 H ATOM 861 N LYS A 358 8.959 -1.729 -9.795 1.00 47.26 N ATOM 862 CA LYS A 358 9.043 -1.450 -11.216 1.00 47.35 C ATOM 863 C LYS A 358 9.597 -0.038 -11.396 1.00 55.46 C ATOM 864 O LYS A 358 9.185 0.864 -10.662 1.00 56.03 O ATOM 865 CB LYS A 358 7.661 -1.528 -11.877 1.00 48.97 C ATOM 866 CG LYS A 358 7.099 -2.935 -12.030 1.00 44.76 C ATOM 867 CD LYS A 358 6.038 -2.951 -13.119 1.00 46.53 C ATOM 868 CE LYS A 358 4.648 -3.207 -12.606 1.00 45.46 C ATOM 869 NZ LYS A 358 3.634 -3.035 -13.680 1.00 44.02 N ATOM 870 HZ1 LYS A 358 3.678 -2.062 -14.044 1.00 0.00 H ATOM 871 HZ2 LYS A 358 3.831 -3.704 -14.451 1.00 0.00 H ATOM 872 HZ3 LYS A 358 2.686 -3.219 -13.293 1.00 0.00 H ATOM 873 H LYS A 358 8.031 -1.687 -9.328 1.00 0.00 H ATOM 874 N PRO A 359 10.523 0.208 -12.349 1.00 53.62 N ATOM 875 CA PRO A 359 10.964 1.593 -12.569 1.00 54.61 C ATOM 876 C PRO A 359 9.922 2.314 -13.437 1.00 60.81 C ATOM 877 O PRO A 359 9.029 1.665 -13.988 1.00 59.59 O ATOM 878 CB PRO A 359 12.287 1.414 -13.321 1.00 56.11 C ATOM 879 CG PRO A 359 12.101 0.153 -14.094 1.00 59.64 C ATOM 880 CD PRO A 359 11.133 -0.717 -13.330 1.00 54.83 C ATOM 881 N ARG A 360 10.033 3.635 -13.591 1.00 60.38 N ATOM 882 CA ARG A 360 9.091 4.321 -14.478 1.00 61.17 C ATOM 883 C ARG A 360 9.795 5.322 -15.402 1.00 66.33 C ATOM 884 O ARG A 360 10.715 6.015 -14.951 1.00 66.04 O ATOM 885 CB ARG A 360 7.876 4.943 -13.756 1.00 62.11 C ATOM 886 CG ARG A 360 8.054 5.452 -12.330 1.00 71.94 C ATOM 887 CD ARG A 360 6.773 6.182 -11.964 1.00 79.54 C ATOM 888 NE ARG A 360 6.634 6.477 -10.537 1.00 78.54 N ATOM 889 CZ ARG A 360 5.598 7.131 -10.018 1.00 80.03 C ATOM 890 NH1 ARG A 360 5.539 7.365 -8.715 1.00 62.22 N ATOM 891 NH2 ARG A 360 4.615 7.556 -10.799 1.00 59.68 N ATOM 892 HE ARG A 360 7.386 6.158 -9.894 1.00 0.00 H ATOM 893 HH12 ARG A 360 4.727 7.877 -8.315 1.00 0.00 H ATOM 894 HH11 ARG A 360 6.305 7.037 -8.093 1.00 0.00 H ATOM 895 HH22 ARG A 360 3.808 8.067 -10.388 1.00 0.00 H ATOM 896 HH21 ARG A 360 4.651 7.379 -11.823 1.00 0.00 H ATOM 897 H ARG A 360 10.774 4.167 -13.091 1.00 0.00 H ATOM 898 N PRO A 361 9.400 5.370 -16.706 1.00 63.63 N ATOM 899 CA PRO A 361 10.062 6.299 -17.644 1.00 63.97 C ATOM 900 C PRO A 361 9.933 7.765 -17.249 1.00 68.64 C ATOM 901 O PRO A 361 8.882 8.184 -16.746 1.00 67.83 O ATOM 902 CB PRO A 361 9.386 6.018 -18.994 1.00 65.59 C ATOM 903 CG PRO A 361 8.154 5.277 -18.680 1.00 69.74 C ATOM 904 CD PRO A 361 8.351 4.576 -17.382 1.00 65.17 C ATOM 905 N GLN A 362 11.028 8.528 -17.466 1.00 65.31 N ATOM 906 CA GLN A 362 11.170 9.954 -17.161 1.00 65.00 C ATOM 907 C GLN A 362 10.048 10.818 -17.736 1.00 65.68 C ATOM 908 O GLN A 362 9.544 11.689 -17.028 1.00 65.52 O ATOM 909 CB GLN A 362 12.547 10.477 -17.613 1.00 66.86 C ATOM 910 CG GLN A 362 13.653 10.307 -16.565 1.00 92.93 C ATOM 911 CD GLN A 362 14.296 8.938 -16.577 1.00119.11 C ATOM 912 OE1 GLN A 362 14.923 8.520 -17.559 1.00114.67 O ATOM 913 NE2 GLN A 362 14.201 8.229 -15.461 1.00114.13 N ATOM 914 HE22 GLN A 362 13.668 8.604 -14.651 1.00 0.00 H ATOM 915 HE21 GLN A 362 14.660 7.298 -15.396 1.00 0.00 H ATOM 916 H GLN A 362 11.851 8.056 -17.892 1.00 0.00 H ATOM 917 N ARG A 363 9.650 10.560 -19.000 1.00 59.45 N ATOM 918 CA ARG A 363 8.586 11.281 -19.706 1.00 58.58 C ATOM 919 C ARG A 363 7.235 11.064 -19.029 1.00 59.22 C ATOM 920 O ARG A 363 6.500 12.030 -18.818 1.00 59.53 O ATOM 921 CB ARG A 363 8.517 10.852 -21.181 1.00 60.21 C ATOM 922 CG ARG A 363 9.632 11.430 -22.043 1.00 78.26 C ATOM 923 CD ARG A 363 9.653 10.821 -23.432 1.00 95.51 C ATOM 924 NE ARG A 363 10.795 11.302 -24.215 1.00109.64 N ATOM 925 CZ ARG A 363 11.086 10.904 -25.450 1.00125.61 C ATOM 926 NH1 ARG A 363 10.322 10.009 -26.066 1.00112.12 N ATOM 927 NH2 ARG A 363 12.144 11.397 -26.080 1.00113.81 N ATOM 928 HE ARG A 363 11.422 12.004 -23.773 1.00 0.00 H ATOM 929 HH12 ARG A 363 10.556 9.702 -27.032 1.00 0.00 H ATOM 930 HH11 ARG A 363 9.490 9.615 -25.582 1.00 0.00 H ATOM 931 HH22 ARG A 363 12.367 11.083 -27.046 1.00 0.00 H ATOM 932 HH21 ARG A 363 12.750 12.098 -25.608 1.00 0.00 H ATOM 933 H ARG A 363 10.133 9.794 -19.510 1.00 0.00 H ATOM 934 N GLU A 364 6.933 9.796 -18.673 1.00 52.24 N ATOM 935 CA GLU A 364 5.714 9.361 -17.986 1.00 50.34 C ATOM 936 C GLU A 364 5.668 9.940 -16.567 1.00 50.66 C ATOM 937 O GLU A 364 4.638 10.507 -16.178 1.00 48.28 O ATOM 938 CB GLU A 364 5.643 7.823 -17.954 1.00 51.43 C ATOM 939 CG GLU A 364 4.300 7.259 -17.518 1.00 58.75 C ATOM 940 CD GLU A 364 4.248 5.747 -17.603 1.00 71.87 C ATOM 941 OE1 GLU A 364 3.740 5.227 -18.622 1.00 69.64 O ATOM 942 OE2 GLU A 364 4.777 5.083 -16.682 1.00 56.67 O ATOM 943 H GLU A 364 7.630 9.061 -18.908 1.00 0.00 H ATOM 944 N ARG A 365 6.798 9.835 -15.821 1.00 45.71 N ATOM 945 CA ARG A 365 6.952 10.367 -14.465 1.00 45.24 C ATOM 946 C ARG A 365 6.681 11.883 -14.445 1.00 48.21 C ATOM 947 O ARG A 365 6.036 12.357 -13.507 1.00 46.93 O ATOM 948 CB ARG A 365 8.345 10.020 -13.885 1.00 46.86 C ATOM 949 CG ARG A 365 8.644 10.563 -12.480 1.00 58.16 C ATOM 950 CD ARG A 365 7.870 9.831 -11.402 1.00 69.45 C ATOM 951 NE ARG A 365 7.491 10.707 -10.294 1.00 71.50 N ATOM 952 CZ ARG A 365 8.002 10.628 -9.071 1.00 84.04 C ATOM 953 NH1 ARG A 365 7.589 11.454 -8.119 1.00 66.02 N ATOM 954 NH2 ARG A 365 8.927 9.720 -8.787 1.00 74.27 N ATOM 955 HE ARG A 365 6.775 11.439 -10.476 1.00 0.00 H ATOM 956 HH12 ARG A 365 7.992 11.388 -7.163 1.00 0.00 H ATOM 957 HH11 ARG A 365 6.862 12.167 -8.329 1.00 0.00 H ATOM 958 HH22 ARG A 365 9.323 9.664 -7.827 1.00 0.00 H ATOM 959 HH21 ARG A 365 9.256 9.065 -9.524 1.00 0.00 H ATOM 960 H ARG A 365 7.611 9.342 -16.242 1.00 0.00 H ATOM 961 N ALA A 366 7.130 12.615 -15.499 1.00 44.44 N ATOM 962 CA ALA A 366 6.947 14.067 -15.664 1.00 44.00 C ATOM 963 C ALA A 366 5.477 14.455 -15.867 1.00 44.97 C ATOM 964 O ALA A 366 5.036 15.432 -15.261 1.00 44.41 O ATOM 965 CB ALA A 366 7.790 14.583 -16.823 1.00 45.09 C ATOM 966 H ALA A 366 7.644 12.109 -16.249 1.00 0.00 H ATOM 967 N GLN A 367 4.725 13.708 -16.721 1.00 39.28 N ATOM 968 CA GLN A 367 3.287 13.956 -16.942 1.00 37.99 C ATOM 969 C GLN A 367 2.538 13.639 -15.647 1.00 37.71 C ATOM 970 O GLN A 367 1.596 14.350 -15.311 1.00 35.86 O ATOM 971 CB GLN A 367 2.701 13.075 -18.065 1.00 39.03 C ATOM 972 CG GLN A 367 3.125 13.423 -19.485 1.00 51.32 C ATOM 973 CD GLN A 367 2.304 12.653 -20.500 1.00 63.43 C ATOM 974 OE1 GLN A 367 2.382 11.427 -20.598 1.00 61.57 O ATOM 975 NE2 GLN A 367 1.497 13.351 -21.285 1.00 45.75 N ATOM 976 HE22 GLN A 367 1.444 14.385 -21.188 1.00 0.00 H ATOM 977 HE21 GLN A 367 0.917 12.865 -21.998 1.00 0.00 H ATOM 978 H GLN A 367 5.182 12.931 -17.239 1.00 0.00 H ATOM 979 N TRP A 368 2.971 12.564 -14.925 1.00 33.36 N ATOM 980 CA TRP A 368 2.369 12.102 -13.676 1.00 32.71 C ATOM 981 C TRP A 368 2.545 13.157 -12.590 1.00 36.78 C ATOM 982 O TRP A 368 1.584 13.472 -11.880 1.00 34.05 O ATOM 983 CB TRP A 368 2.938 10.717 -13.277 1.00 31.45 C ATOM 984 CG TRP A 368 2.279 10.057 -12.099 1.00 31.63 C ATOM 985 CD1 TRP A 368 1.260 9.143 -12.131 1.00 34.04 C ATOM 986 CD2 TRP A 368 2.660 10.185 -10.722 1.00 31.37 C ATOM 987 NE1 TRP A 368 0.967 8.720 -10.856 1.00 32.74 N ATOM 988 CE2 TRP A 368 1.808 9.346 -9.970 1.00 34.24 C ATOM 989 CE3 TRP A 368 3.675 10.895 -10.050 1.00 32.77 C ATOM 990 CZ2 TRP A 368 1.935 9.200 -8.582 1.00 34.20 C ATOM 991 CZ3 TRP A 368 3.748 10.813 -8.669 1.00 34.13 C ATOM 992 CH2 TRP A 368 2.910 9.949 -7.949 1.00 34.87 C ATOM 993 HE1 TRP A 368 0.226 8.035 -10.603 1.00 0.00 H ATOM 994 H TRP A 368 3.789 12.035 -15.291 1.00 0.00 H ATOM 995 N ASP A 369 3.755 13.774 -12.524 1.00 34.20 N ATOM 996 CA ASP A 369 4.041 14.855 -11.580 1.00 34.14 C ATOM 997 C ASP A 369 3.151 16.062 -11.831 1.00 36.02 C ATOM 998 O ASP A 369 2.681 16.655 -10.864 1.00 36.36 O ATOM 999 CB ASP A 369 5.532 15.249 -11.606 1.00 36.03 C ATOM 1000 CG ASP A 369 6.474 14.206 -11.016 1.00 47.78 C ATOM 1001 OD1 ASP A 369 6.024 13.410 -10.155 1.00 46.13 O ATOM 1002 OD2 ASP A 369 7.670 14.217 -11.380 1.00 56.40 O ATOM 1003 H ASP A 369 4.508 13.465 -13.171 1.00 0.00 H ATOM 1004 N ILE A 370 2.896 16.404 -13.111 1.00 33.35 N ATOM 1005 CA ILE A 370 1.995 17.511 -13.500 1.00 33.44 C ATOM 1006 C ILE A 370 0.549 17.139 -13.037 1.00 34.41 C ATOM 1007 O ILE A 370 -0.145 17.969 -12.444 1.00 31.78 O ATOM 1008 CB ILE A 370 2.068 17.811 -15.031 1.00 37.66 C ATOM 1009 CG1 ILE A 370 3.465 18.350 -15.449 1.00 39.12 C ATOM 1010 CG2 ILE A 370 0.971 18.804 -15.468 1.00 38.84 C ATOM 1011 CD1 ILE A 370 3.798 18.233 -16.983 1.00 44.96 C ATOM 1012 H ILE A 370 3.359 15.859 -13.866 1.00 0.00 H ATOM 1013 N GLY A 371 0.136 15.897 -13.310 1.00 30.24 N ATOM 1014 CA GLY A 371 -1.182 15.399 -12.918 1.00 28.40 C ATOM 1015 C GLY A 371 -1.403 15.465 -11.422 1.00 30.63 C ATOM 1016 O GLY A 371 -2.445 15.936 -10.951 1.00 29.25 O ATOM 1017 H GLY A 371 0.778 15.259 -13.822 1.00 0.00 H ATOM 1018 N ILE A 372 -0.394 15.015 -10.655 1.00 28.12 N ATOM 1019 CA ILE A 372 -0.422 15.040 -9.200 1.00 27.05 C ATOM 1020 C ILE A 372 -0.518 16.460 -8.678 1.00 30.24 C ATOM 1021 O ILE A 372 -1.290 16.696 -7.757 1.00 28.07 O ATOM 1022 CB ILE A 372 0.762 14.237 -8.598 1.00 29.87 C ATOM 1023 CG1 ILE A 372 0.551 12.701 -8.803 1.00 29.39 C ATOM 1024 CG2 ILE A 372 1.009 14.613 -7.137 1.00 30.13 C ATOM 1025 CD1 ILE A 372 -0.612 12.017 -8.035 1.00 29.99 C ATOM 1026 H ILE A 372 0.449 14.629 -11.126 1.00 0.00 H ATOM 1027 N ALA A 373 0.236 17.400 -9.286 1.00 29.79 N ATOM 1028 CA ALA A 373 0.208 18.822 -8.926 1.00 30.17 C ATOM 1029 C ALA A 373 -1.229 19.381 -9.054 1.00 31.27 C ATOM 1030 O ALA A 373 -1.706 20.072 -8.159 1.00 29.79 O ATOM 1031 CB ALA A 373 1.171 19.607 -9.823 1.00 31.28 C ATOM 1032 H ALA A 373 0.872 17.100 -10.052 1.00 0.00 H ATOM 1033 N HIS A 374 -1.923 19.046 -10.149 1.00 28.13 N ATOM 1034 CA HIS A 374 -3.297 19.487 -10.378 1.00 27.04 C ATOM 1035 C HIS A 374 -4.233 18.817 -9.387 1.00 29.37 C ATOM 1036 O HIS A 374 -5.103 19.481 -8.838 1.00 27.57 O ATOM 1037 CB HIS A 374 -3.733 19.146 -11.801 1.00 27.32 C ATOM 1038 CG HIS A 374 -3.168 20.039 -12.858 1.00 29.84 C ATOM 1039 ND1 HIS A 374 -3.536 21.360 -12.946 1.00 31.92 N ATOM 1040 CD2 HIS A 374 -2.394 19.731 -13.922 1.00 32.02 C ATOM 1041 CE1 HIS A 374 -2.927 21.841 -14.019 1.00 31.56 C ATOM 1042 NE2 HIS A 374 -2.225 20.898 -14.639 1.00 32.03 N ATOM 1043 H HIS A 374 -1.465 18.447 -10.866 1.00 0.00 H ATOM 1044 N ALA A 375 -4.022 17.506 -9.124 1.00 27.65 N ATOM 1045 CA ALA A 375 -4.853 16.730 -8.198 1.00 27.21 C ATOM 1046 C ALA A 375 -4.752 17.274 -6.777 1.00 31.64 C ATOM 1047 O ALA A 375 -5.757 17.321 -6.061 1.00 30.33 O ATOM 1048 CB ALA A 375 -4.438 15.268 -8.223 1.00 27.54 C ATOM 1049 H ALA A 375 -3.233 17.026 -9.602 1.00 0.00 H ATOM 1050 N GLU A 376 -3.533 17.678 -6.373 1.00 30.43 N ATOM 1051 CA GLU A 376 -3.286 18.228 -5.034 1.00 31.37 C ATOM 1052 C GLU A 376 -3.993 19.570 -4.828 1.00 36.08 C ATOM 1053 O GLU A 376 -4.548 19.818 -3.759 1.00 36.28 O ATOM 1054 CB GLU A 376 -1.782 18.306 -4.747 1.00 32.14 C ATOM 1055 CG GLU A 376 -1.165 16.940 -4.453 1.00 38.61 C ATOM 1056 CD GLU A 376 -1.757 16.196 -3.270 1.00 50.59 C ATOM 1057 OE1 GLU A 376 -1.858 16.796 -2.176 1.00 44.42 O ATOM 1058 OE2 GLU A 376 -2.164 15.025 -3.448 1.00 40.17 O ATOM 1059 H GLU A 376 -2.735 17.597 -7.035 1.00 0.00 H ATOM 1060 N LYS A 377 -4.016 20.407 -5.865 1.00 32.25 N ATOM 1061 CA LYS A 377 -4.745 21.681 -5.855 1.00 31.34 C ATOM 1062 C LYS A 377 -6.268 21.381 -5.842 1.00 34.01 C ATOM 1063 O LYS A 377 -7.010 22.019 -5.106 1.00 33.34 O ATOM 1064 CB LYS A 377 -4.359 22.485 -7.107 1.00 34.63 C ATOM 1065 CG LYS A 377 -4.757 23.955 -7.060 1.00 58.22 C ATOM 1066 CD LYS A 377 -4.295 24.702 -8.305 1.00 68.90 C ATOM 1067 CE LYS A 377 -4.935 26.065 -8.413 1.00 82.46 C ATOM 1068 NZ LYS A 377 -4.526 26.772 -9.654 1.00 92.68 N ATOM 1069 HZ1 LYS A 377 -3.493 26.895 -9.657 1.00 0.00 H ATOM 1070 HZ2 LYS A 377 -4.812 26.211 -10.482 1.00 0.00 H ATOM 1071 HZ3 LYS A 377 -4.988 27.703 -9.689 1.00 0.00 H ATOM 1072 H LYS A 377 -3.491 20.144 -6.724 1.00 0.00 H ATOM 1073 N ALA A 378 -6.720 20.384 -6.646 1.00 29.84 N ATOM 1074 CA ALA A 378 -8.135 19.992 -6.735 1.00 28.81 C ATOM 1075 C ALA A 378 -8.679 19.490 -5.389 1.00 32.29 C ATOM 1076 O ALA A 378 -9.810 19.805 -5.036 1.00 31.63 O ATOM 1077 CB ALA A 378 -8.311 18.925 -7.804 1.00 28.55 C ATOM 1078 H ALA A 378 -6.029 19.871 -7.230 1.00 0.00 H ATOM 1079 N LEU A 379 -7.851 18.751 -4.630 1.00 31.71 N ATOM 1080 CA LEU A 379 -8.180 18.170 -3.322 1.00 32.76 C ATOM 1081 C LEU A 379 -8.499 19.253 -2.282 1.00 38.83 C ATOM 1082 O LEU A 379 -9.369 19.042 -1.436 1.00 38.89 O ATOM 1083 CB LEU A 379 -7.015 17.256 -2.896 1.00 33.58 C ATOM 1084 CG LEU A 379 -7.123 16.395 -1.620 1.00 39.06 C ATOM 1085 CD1 LEU A 379 -8.242 15.370 -1.717 1.00 39.20 C ATOM 1086 CD2 LEU A 379 -5.809 15.674 -1.378 1.00 41.78 C ATOM 1087 H LEU A 379 -6.895 18.576 -5.001 1.00 0.00 H ATOM 1088 N LYS A 380 -7.885 20.443 -2.436 1.00 36.05 N ATOM 1089 CA LYS A 380 -8.087 21.616 -1.578 1.00 37.07 C ATOM 1090 C LYS A 380 -9.397 22.365 -1.910 1.00 43.98 C ATOM 1091 O LYS A 380 -9.803 23.243 -1.149 1.00 45.33 O ATOM 1092 CB LYS A 380 -6.888 22.576 -1.694 1.00 39.04 C ATOM 1093 CG LYS A 380 -5.595 22.068 -1.054 1.00 40.82 C ATOM 1094 CD LYS A 380 -4.480 23.082 -1.269 1.00 49.79 C ATOM 1095 CE LYS A 380 -3.107 22.533 -0.974 1.00 67.05 C ATOM 1096 NZ LYS A 380 -2.516 21.856 -2.160 1.00 78.11 N ATOM 1097 HZ1 LYS A 380 -3.129 21.067 -2.448 1.00 0.00 H ATOM 1098 HZ2 LYS A 380 -2.435 22.537 -2.942 1.00 0.00 H ATOM 1099 HZ3 LYS A 380 -1.573 21.493 -1.916 1.00 0.00 H ATOM 1100 H LYS A 380 -7.215 20.537 -3.226 1.00 0.00 H ATOM 1101 N MET A 381 -10.053 22.018 -3.035 1.00 39.80 N ATOM 1102 CA MET A 381 -11.315 22.627 -3.464 1.00 39.15 C ATOM 1103 C MET A 381 -12.511 21.771 -3.041 1.00 41.25 C ATOM 1104 O MET A 381 -12.362 20.587 -2.748 1.00 40.49 O ATOM 1105 CB MET A 381 -11.354 22.755 -5.004 1.00 41.64 C ATOM 1106 CG MET A 381 -10.214 23.525 -5.602 1.00 45.01 C ATOM 1107 SD MET A 381 -10.370 23.501 -7.386 1.00 49.18 S ATOM 1108 CE MET A 381 -8.871 24.272 -7.836 1.00 45.41 C ATOM 1109 H MET A 381 -9.640 21.275 -3.634 1.00 0.00 H ATOM 1110 N THR A 382 -13.711 22.350 -3.078 1.00 37.92 N ATOM 1111 CA THR A 382 -14.936 21.587 -2.833 1.00 37.78 C ATOM 1112 C THR A 382 -15.243 20.915 -4.177 1.00 40.39 C ATOM 1113 O THR A 382 -14.679 21.320 -5.202 1.00 39.41 O ATOM 1114 CB THR A 382 -16.113 22.509 -2.441 1.00 45.30 C ATOM 1115 OG1 THR A 382 -16.290 23.483 -3.470 1.00 41.21 O ATOM 1116 CG2 THR A 382 -15.913 23.191 -1.084 1.00 46.18 C ATOM 1117 HG1 THR A 382 -17.042 24.081 -3.231 1.00 0.00 H ATOM 1118 H THR A 382 -13.779 23.367 -3.286 1.00 0.00 H ATOM 1119 N ARG A 383 -16.150 19.929 -4.174 1.00 37.43 N ATOM 1120 CA ARG A 383 -16.601 19.210 -5.361 1.00 37.87 C ATOM 1121 C ARG A 383 -17.118 20.180 -6.418 1.00 41.57 C ATOM 1122 O ARG A 383 -16.757 20.030 -7.586 1.00 39.74 O ATOM 1123 CB ARG A 383 -17.678 18.182 -4.983 1.00 39.41 C ATOM 1124 CG ARG A 383 -17.859 17.061 -5.989 1.00 44.09 C ATOM 1125 CD ARG A 383 -18.733 15.946 -5.441 1.00 53.55 C ATOM 1126 NE ARG A 383 -20.094 16.404 -5.137 1.00 63.13 N ATOM 1127 CZ ARG A 383 -21.139 16.306 -5.959 1.00 72.40 C ATOM 1128 NH1 ARG A 383 -22.333 16.749 -5.579 1.00 56.17 N ATOM 1129 NH2 ARG A 383 -21.002 15.757 -7.164 1.00 42.23 N ATOM 1130 HE ARG A 383 -20.256 16.839 -4.207 1.00 0.00 H ATOM 1131 HH12 ARG A 383 -23.146 16.671 -6.223 1.00 0.00 H ATOM 1132 HH11 ARG A 383 -22.455 17.174 -4.638 1.00 0.00 H ATOM 1133 HH22 ARG A 383 -21.823 15.685 -7.799 1.00 0.00 H ATOM 1134 HH21 ARG A 383 -20.074 15.400 -7.471 1.00 0.00 H ATOM 1135 H ARG A 383 -16.563 19.656 -3.259 1.00 0.00 H ATOM 1136 N GLU A 384 -17.901 21.215 -5.999 1.00 39.27 N ATOM 1137 CA GLU A 384 -18.436 22.236 -6.908 1.00 38.47 C ATOM 1138 C GLU A 384 -17.339 23.071 -7.541 1.00 38.56 C ATOM 1139 O GLU A 384 -17.441 23.379 -8.725 1.00 36.13 O ATOM 1140 CB GLU A 384 -19.473 23.148 -6.217 1.00 40.49 C ATOM 1141 CG GLU A 384 -20.815 22.491 -5.970 1.00 54.46 C ATOM 1142 CD GLU A 384 -21.989 23.448 -6.047 1.00 87.60 C ATOM 1143 OE1 GLU A 384 -22.782 23.338 -7.011 1.00 93.90 O ATOM 1144 OE2 GLU A 384 -22.102 24.327 -5.161 1.00 81.12 O ATOM 1145 H GLU A 384 -18.130 21.284 -4.987 1.00 0.00 H ATOM 1146 N GLU A 385 -16.282 23.435 -6.774 1.00 35.54 N ATOM 1147 CA GLU A 385 -15.175 24.226 -7.321 1.00 35.05 C ATOM 1148 C GLU A 385 -14.352 23.398 -8.304 1.00 36.48 C ATOM 1149 O GLU A 385 -13.934 23.927 -9.328 1.00 34.99 O ATOM 1150 CB GLU A 385 -14.262 24.781 -6.213 1.00 37.02 C ATOM 1151 CG GLU A 385 -14.888 25.882 -5.371 1.00 50.33 C ATOM 1152 CD GLU A 385 -14.285 26.067 -3.989 1.00 70.01 C ATOM 1153 OE1 GLU A 385 -14.680 27.038 -3.303 1.00 65.93 O ATOM 1154 OE2 GLU A 385 -13.429 25.245 -3.585 1.00 53.63 O ATOM 1155 H GLU A 385 -16.256 23.147 -5.775 1.00 0.00 H ATOM 1156 N ARG A 386 -14.103 22.107 -7.987 1.00 33.32 N ATOM 1157 CA ARG A 386 -13.372 21.191 -8.877 1.00 32.69 C ATOM 1158 C ARG A 386 -14.084 21.078 -10.232 1.00 34.11 C ATOM 1159 O ARG A 386 -13.432 21.126 -11.270 1.00 33.20 O ATOM 1160 CB ARG A 386 -13.334 19.786 -8.266 1.00 34.04 C ATOM 1161 CG ARG A 386 -12.165 19.534 -7.386 1.00 39.12 C ATOM 1162 CD ARG A 386 -12.328 18.168 -6.788 1.00 36.23 C ATOM 1163 NE ARG A 386 -12.083 18.232 -5.362 1.00 45.43 N ATOM 1164 CZ ARG A 386 -12.770 17.575 -4.447 1.00 57.25 C ATOM 1165 NH1 ARG A 386 -13.773 16.781 -4.805 1.00 45.41 N ATOM 1166 NH2 ARG A 386 -12.457 17.693 -3.166 1.00 49.36 N ATOM 1167 HE ARG A 386 -11.307 18.842 -5.034 1.00 0.00 H ATOM 1168 HH12 ARG A 386 -14.312 16.265 -4.080 1.00 0.00 H ATOM 1169 HH11 ARG A 386 -14.019 16.675 -5.810 1.00 0.00 H ATOM 1170 HH22 ARG A 386 -13.001 17.173 -2.448 1.00 0.00 H ATOM 1171 HH21 ARG A 386 -11.667 18.305 -2.878 1.00 0.00 H ATOM 1172 H ARG A 386 -14.443 21.745 -7.073 1.00 0.00 H ATOM 1173 N ILE A 387 -15.413 20.872 -10.210 1.00 31.10 N ATOM 1174 CA ILE A 387 -16.222 20.727 -11.433 1.00 30.95 C ATOM 1175 C ILE A 387 -16.046 21.976 -12.335 1.00 34.95 C ATOM 1176 O ILE A 387 -15.701 21.841 -13.503 1.00 33.42 O ATOM 1177 CB ILE A 387 -17.705 20.347 -11.116 1.00 33.83 C ATOM 1178 CG1 ILE A 387 -17.785 18.939 -10.463 1.00 33.47 C ATOM 1179 CG2 ILE A 387 -18.556 20.356 -12.384 1.00 34.76 C ATOM 1180 CD1 ILE A 387 -19.074 18.630 -9.627 1.00 39.10 C ATOM 1181 H ILE A 387 -15.891 20.812 -9.288 1.00 0.00 H ATOM 1182 N GLU A 388 -16.179 23.179 -11.761 1.00 32.90 N ATOM 1183 CA GLU A 388 -15.975 24.429 -12.489 1.00 33.32 C ATOM 1184 C GLU A 388 -14.545 24.549 -13.043 1.00 38.13 C ATOM 1185 O GLU A 388 -14.368 24.889 -14.217 1.00 38.49 O ATOM 1186 CB GLU A 388 -16.326 25.630 -11.570 1.00 35.25 C ATOM 1187 CG GLU A 388 -16.097 27.021 -12.168 1.00 48.51 C ATOM 1188 CD GLU A 388 -16.938 27.430 -13.368 1.00 72.37 C ATOM 1189 OE1 GLU A 388 -16.490 28.333 -14.111 1.00 69.74 O ATOM 1190 OE2 GLU A 388 -18.042 26.868 -13.564 1.00 64.50 O ATOM 1191 H GLU A 388 -16.438 23.225 -10.755 1.00 0.00 H ATOM 1192 N GLN A 389 -13.529 24.266 -12.205 1.00 33.78 N ATOM 1193 CA GLN A 389 -12.132 24.415 -12.593 1.00 33.57 C ATOM 1194 C GLN A 389 -11.614 23.421 -13.627 1.00 37.10 C ATOM 1195 O GLN A 389 -10.824 23.812 -14.500 1.00 36.75 O ATOM 1196 CB GLN A 389 -11.226 24.344 -11.349 1.00 35.24 C ATOM 1197 CG GLN A 389 -11.404 25.491 -10.364 1.00 61.05 C ATOM 1198 CD GLN A 389 -10.800 26.761 -10.877 1.00 74.55 C ATOM 1199 OE1 GLN A 389 -9.574 26.922 -10.886 1.00 65.84 O ATOM 1200 NE2 GLN A 389 -11.658 27.667 -11.342 1.00 64.51 N ATOM 1201 HE22 GLN A 389 -12.680 27.480 -11.310 1.00 0.00 H ATOM 1202 HE21 GLN A 389 -11.306 28.562 -11.737 1.00 0.00 H ATOM 1203 H GLN A 389 -13.749 23.929 -11.246 1.00 0.00 H ATOM 1204 N TYR A 390 -12.021 22.137 -13.518 1.00 31.67 N ATOM 1205 CA TYR A 390 -11.423 21.075 -14.320 1.00 31.05 C ATOM 1206 C TYR A 390 -12.293 20.387 -15.364 1.00 33.16 C ATOM 1207 O TYR A 390 -11.715 19.736 -16.234 1.00 31.64 O ATOM 1208 CB TYR A 390 -10.823 19.998 -13.387 1.00 31.97 C ATOM 1209 CG TYR A 390 -9.780 20.563 -12.448 1.00 32.76 C ATOM 1210 CD1 TYR A 390 -8.509 20.908 -12.909 1.00 34.21 C ATOM 1211 CD2 TYR A 390 -10.081 20.817 -11.117 1.00 33.69 C ATOM 1212 CE1 TYR A 390 -7.565 21.486 -12.062 1.00 33.94 C ATOM 1213 CE2 TYR A 390 -9.151 21.405 -10.265 1.00 34.73 C ATOM 1214 CZ TYR A 390 -7.888 21.717 -10.736 1.00 40.43 C ATOM 1215 OH TYR A 390 -6.985 22.277 -9.875 1.00 46.01 O ATOM 1216 HH TYR A 390 -6.134 22.442 -10.353 1.00 0.00 H ATOM 1217 H TYR A 390 -12.779 21.900 -12.846 1.00 0.00 H ATOM 1218 N THR A 391 -13.632 20.513 -15.330 1.00 29.88 N ATOM 1219 CA THR A 391 -14.419 19.814 -16.361 1.00 30.53 C ATOM 1220 C THR A 391 -14.000 20.239 -17.769 1.00 33.65 C ATOM 1221 O THR A 391 -13.974 21.432 -18.071 1.00 33.82 O ATOM 1222 CB THR A 391 -15.931 19.923 -16.140 1.00 30.49 C ATOM 1223 OG1 THR A 391 -16.210 19.574 -14.786 1.00 31.25 O ATOM 1224 CG2 THR A 391 -16.706 19.007 -17.066 1.00 24.84 C ATOM 1225 HG1 THR A 391 -15.732 20.195 -14.181 1.00 0.00 H ATOM 1226 H THR A 391 -14.098 21.087 -14.598 1.00 0.00 H ATOM 1227 N PHE A 392 -13.623 19.261 -18.598 1.00 28.51 N ATOM 1228 CA PHE A 392 -13.173 19.519 -19.958 1.00 28.81 C ATOM 1229 C PHE A 392 -14.263 20.100 -20.844 1.00 35.39 C ATOM 1230 O PHE A 392 -15.443 19.834 -20.635 1.00 31.34 O ATOM 1231 CB PHE A 392 -12.686 18.220 -20.619 1.00 29.72 C ATOM 1232 CG PHE A 392 -11.508 17.502 -20.008 1.00 28.96 C ATOM 1233 CD1 PHE A 392 -10.482 18.212 -19.387 1.00 31.36 C ATOM 1234 CD2 PHE A 392 -11.360 16.127 -20.158 1.00 29.13 C ATOM 1235 CE1 PHE A 392 -9.367 17.544 -18.854 1.00 31.14 C ATOM 1236 CE2 PHE A 392 -10.237 15.467 -19.648 1.00 29.45 C ATOM 1237 CZ PHE A 392 -9.259 16.180 -18.983 1.00 28.24 C ATOM 1238 H PHE A 392 -13.652 18.278 -18.259 1.00 0.00 H ATOM 1239 N ILE A 393 -13.834 20.862 -21.863 1.00 36.89 N ATOM 1240 CA ILE A 393 -14.668 21.419 -22.930 1.00 38.07 C ATOM 1241 C ILE A 393 -14.441 20.471 -24.110 1.00 42.19 C ATOM 1242 O ILE A 393 -13.293 20.217 -24.485 1.00 43.68 O ATOM 1243 CB ILE A 393 -14.276 22.898 -23.257 1.00 41.95 C ATOM 1244 CG1 ILE A 393 -14.480 23.816 -22.025 1.00 42.99 C ATOM 1245 CG2 ILE A 393 -15.039 23.440 -24.489 1.00 43.25 C ATOM 1246 CD1 ILE A 393 -13.518 24.977 -21.949 1.00 54.01 C ATOM 1247 H ILE A 393 -12.817 21.076 -21.898 1.00 0.00 H ATOM 1248 N TYR A 394 -15.519 19.904 -24.643 1.00 39.08 N ATOM 1249 CA TYR A 394 -15.457 18.982 -25.773 1.00 40.22 C ATOM 1250 C TYR A 394 -15.835 19.724 -27.065 1.00 48.40 C ATOM 1251 O TYR A 394 -16.800 20.495 -27.066 1.00 48.28 O ATOM 1252 CB TYR A 394 -16.355 17.746 -25.523 1.00 41.02 C ATOM 1253 CG TYR A 394 -15.833 16.879 -24.393 1.00 41.51 C ATOM 1254 CD1 TYR A 394 -14.895 15.879 -24.633 1.00 43.92 C ATOM 1255 CD2 TYR A 394 -16.227 17.104 -23.075 1.00 41.17 C ATOM 1256 CE1 TYR A 394 -14.366 15.116 -23.591 1.00 44.57 C ATOM 1257 CE2 TYR A 394 -15.717 16.335 -22.025 1.00 40.91 C ATOM 1258 CZ TYR A 394 -14.787 15.341 -22.290 1.00 45.62 C ATOM 1259 OH TYR A 394 -14.259 14.584 -21.268 1.00 41.65 O ATOM 1260 HH TYR A 394 -14.989 14.104 -20.803 1.00 0.00 H ATOM 1261 H TYR A 394 -16.450 20.128 -24.236 1.00 0.00 H ATOM 1262 N ILE A 395 -15.046 19.518 -28.141 1.00 47.27 N ATOM 1263 CA ILE A 395 -15.242 20.161 -29.452 1.00 48.01 C ATOM 1264 C ILE A 395 -15.458 19.114 -30.544 1.00 54.43 C ATOM 1265 O ILE A 395 -14.623 18.221 -30.721 1.00 55.24 O ATOM 1266 CB ILE A 395 -14.085 21.170 -29.776 1.00 51.09 C ATOM 1267 CG1 ILE A 395 -14.129 22.402 -28.848 1.00 51.27 C ATOM 1268 CG2 ILE A 395 -14.080 21.622 -31.249 1.00 51.97 C ATOM 1269 CD1 ILE A 395 -13.057 22.415 -27.785 1.00 61.57 C ATOM 1270 H ILE A 395 -14.246 18.861 -28.037 1.00 0.00 H ATOM 1271 N ASP A 396 -16.579 19.231 -31.275 1.00 52.31 N ATOM 1272 CA ASP A 396 -16.937 18.335 -32.383 1.00 87.35 C ATOM 1273 C ASP A 396 -16.183 18.734 -33.659 1.00111.22 C ATOM 1274 O ASP A 396 -15.236 18.061 -34.069 1.00 70.85 O ATOM 1275 CB ASP A 396 -18.454 18.364 -32.640 1.00 89.26 C ATOM 1276 CG ASP A 396 -19.295 18.208 -31.391 1.00100.47 C ATOM 1277 OD1 ASP A 396 -19.685 17.063 -31.079 1.00101.27 O ATOM 1278 OD2 ASP A 396 -19.546 19.230 -30.713 1.00106.53 O ATOM 1279 H ASP A 396 -17.234 20.004 -31.042 1.00 0.00 H TER 1280 ASP A 396 HETATM 1281 O HOH 1 -0.183 21.583 -6.600 1.00 41.36 O HETATM 1282 O HOH 2 -25.724 4.901 -15.655 1.00 47.50 O HETATM 1283 O HOH 3 -17.866 16.057 -18.720 1.00 31.15 O HETATM 1284 O HOH 4 -4.721 22.973 -11.134 1.00 51.97 O HETATM 1285 O HOH 5 -15.317 15.168 -18.871 1.00 27.00 O HETATM 1286 O HOH 6 -3.535 18.753 -1.421 1.00 39.84 O HETATM 1287 O HOH 7 3.532 9.717 -4.144 1.00 48.33 O HETATM 1288 O HOH 8 -24.975 0.847 -19.070 1.00 50.20 O HETATM 1289 O HOH 9 -18.573 -4.686 -11.539 1.00 67.30 O HETATM 1290 O HOH 10 0.968 2.390 -23.541 1.00 60.39 O HETATM 1291 O HOH 11 -9.492 10.717 -24.383 1.00 33.59 O HETATM 1292 O HOH 12 7.500 6.979 1.700 1.00 61.01 O HETATM 1293 O HOH 13 -6.000 16.167 -25.560 1.00 61.81 O HETATM 1294 O HOH 14 5.869 3.264 -10.131 1.00 50.66 O HETATM 1295 O HOH 15 -18.080 10.135 -25.345 1.00 45.43 O HETATM 1296 O HOH 16 4.799 14.142 -7.836 1.00 49.99 O HETATM 1297 O HOH 17 0.742 4.842 3.962 1.00 52.19 O HETATM 1298 O HOH 18 1.034 10.273 -23.058 1.00 65.50 O HETATM 1299 O HOH 19 -10.071 2.235 -19.420 1.00 43.84 O HETATM 1300 O HOH 20 -18.400 25.178 -3.083 1.00 53.08 O HETATM 1301 O HOH 21 -10.753 12.679 -1.503 1.00 60.74 O HETATM 1302 O HOH 22 -16.108 23.109 -18.404 1.00 46.14 O HETATM 1303 O HOH 23 7.101 1.171 -8.913 1.00 50.03 O HETATM 1304 O HOH 24 -13.151 10.578 -4.080 1.00 40.50 O HETATM 1305 O HOH 25 -16.940 17.032 -14.067 1.00 39.35 O HETATM 1306 O HOH 26 -1.401 -1.954 -7.661 1.00 58.05 O HETATM 1307 O HOH 27 -2.035 15.297 0.128 1.00 41.34 O HETATM 1308 O HOH 28 -5.817 17.011 -17.863 1.00 28.36 O HETATM 1309 O HOH 29 -3.422 4.560 -15.219 1.00 26.76 O HETATM 1310 O HOH 30 -23.467 -1.239 -21.769 1.00 45.47 O HETATM 1311 O HOH 31 -15.613 17.769 -36.797 1.00 67.41 O HETATM 1312 O HOH 32 -10.012 6.510 -23.506 1.00 45.96 O HETATM 1313 O HOH 33 6.183 8.421 -6.212 1.00 68.76 O HETATM 1314 O HOH 34 -7.974 11.845 -27.543 1.00 48.13 O HETATM 1315 O HOH 35 -16.760 6.550 -25.301 1.00 61.39 O HETATM 1316 O HOH 36 -22.703 12.786 -9.947 1.00 38.85 O HETATM 1317 O HOH 37 0.265 18.571 -1.744 1.00 56.33 O HETATM 1318 O HOH 38 -16.902 1.361 -22.166 1.00 57.35 O HETATM 1319 O HOH 39 6.475 -1.494 -8.508 1.00 42.72 O HETATM 1320 O HOH 40 -24.730 14.771 -17.081 1.00 48.88 O HETATM 1321 O HOH 41 -11.156 -0.606 -17.229 1.00 37.77 O HETATM 1322 O HOH 42 -11.532 3.523 -3.060 1.00 39.91 O HETATM 1323 O HOH 43 -8.539 23.037 -16.024 1.00 43.54 O HETATM 1324 O HOH 44 -24.493 9.093 -14.230 1.00 53.29 O HETATM 1325 O HOH 45 -13.196 13.319 -4.038 1.00 33.04 O HETATM 1326 O HOH 46 1.110 2.103 -10.324 1.00 35.84 O HETATM 1327 O HOH 47 -5.614 4.155 -22.327 1.00 53.94 O HETATM 1328 O HOH 48 -21.711 2.413 -23.451 1.00 69.33 O HETATM 1329 O HOH 49 -17.843 21.249 -19.909 1.00 46.46 O HETATM 1330 O HOH 50 -19.010 16.268 -15.933 1.00 31.89 O HETATM 1331 O HOH 51 -15.980 -2.076 -21.665 1.00 58.55 O HETATM 1332 O HOH 52 -7.025 -1.095 -18.917 1.00 48.33 O HETATM 1333 O HOH 53 -8.968 20.478 -16.838 1.00 33.63 O HETATM 1334 O HOH 54 -12.828 4.667 -22.655 1.00 41.15 O HETATM 1335 O HOH 55 -7.024 24.919 -4.690 1.00 58.36 O HETATM 1336 O HOH 56 -18.229 20.598 -23.761 1.00 58.73 O HETATM 1337 O HOH 57 -0.686 12.743 0.295 1.00 41.52 O HETATM 1338 O HOH 58 -11.816 11.483 -25.934 1.00 52.16 O HETATM 1339 O HOH 59 -19.426 7.106 -25.038 1.00 66.11 O HETATM 1340 O HOH 60 -9.022 16.601 -14.896 1.00 28.35 O HETATM 1341 O HOH 61 -15.824 -7.859 -13.282 1.00 51.03 O HETATM 1342 O HOH 62 -1.972 1.525 -22.281 1.00 45.17 O HETATM 1343 O HOH 63 -1.223 8.482 2.636 1.00 55.10 O HETATM 1344 O HOH 64 -27.433 10.474 -25.538 1.00 64.97 O HETATM 1345 O HOH 65 -13.009 1.619 -4.916 1.00 60.29 O HETATM 1346 O HOH 66 -5.634 20.493 -15.188 1.00 43.93 O HETATM 1347 O HOH 67 -18.955 -1.571 -22.589 1.00 52.51 O HETATM 1348 O HOH 68 -19.303 28.602 -11.088 1.00 57.18 O HETATM 1349 O HOH 69 -15.676 -6.291 -17.365 1.00 79.02 O HETATM 1350 O HOH 70 -19.532 20.724 -3.132 1.00 45.33 O HETATM 1351 O HOH 71 2.399 15.163 -24.050 1.00 61.50 O HETATM 1352 O HOH 72 6.884 14.519 3.016 1.00 53.60 O HETATM 1353 O HOH 73 -21.402 13.321 -4.226 1.00 72.50 O HETATM 1354 O HOH 74 -25.837 2.200 -14.637 1.00 58.38 O HETATM 1355 O HOH 75 -22.818 -2.717 -9.745 1.00 55.62 O HETATM 1356 O HOH 76 -9.689 8.266 -25.545 1.00 64.63 O HETATM 1357 O HOH 77 4.806 8.374 1.600 1.00 50.99 O HETATM 1358 O HOH 78 -19.939 26.143 -9.567 1.00 57.67 O HETATM 1359 O HOH 79 -19.996 23.208 -2.067 1.00 47.45 O HETATM 1360 O HOH 80 1.481 -0.651 -10.696 1.00 55.02 O HETATM 1361 O HOH 81 -17.319 21.470 -35.336 1.00 53.64 O HETATM 1362 O HOH 82 -7.359 18.424 -16.110 1.00 33.75 O HETATM 1363 O HOH 83 -27.690 7.337 -24.246 1.00 57.70 O HETATM 1364 O HOH 84 -19.669 18.529 -22.753 1.00 64.60 O HETATM 1365 N1 EHH A 85 -3.333 6.970 -18.778 1.00 -0.24 N HETATM 1366 C5 EHH A 85 -3.935 5.852 -19.244 1.00 0.10 C HETATM 1367 N4 EHH A 85 -4.338 5.959 -20.488 1.00 -0.31 N HETATM 1368 C3 EHH A 85 -4.043 7.265 -20.860 1.00 0.03 C HETATM 1369 C8 EHH A 85 -4.430 7.731 -22.219 1.00 -0.02 C HETATM 1370 C14 EHH A 85 -3.433 8.110 -23.149 1.00 -0.05 C HETATM 1371 C15 EHH A 85 -3.829 8.507 -24.422 1.00 -0.06 C HETATM 1372 C16 EHH A 85 -5.159 8.523 -24.813 1.00 -0.01 C HETATM 1373 C17 EHH A 85 -6.122 8.143 -23.886 1.00 -0.06 C HETATM 1374 C18 EHH A 85 -5.791 7.734 -22.596 1.00 -0.05 C HETATM 1375 C20 EHH A 85 -6.906 7.354 -21.655 1.00 -0.03 C HETATM 1376 H9 EHH A 85 -6.482 7.057 -20.685 1.00 0.04 H HETATM 1377 H10 EHH A 85 -7.474 6.513 -22.080 1.00 0.04 H HETATM 1378 H11 EHH A 85 -7.576 8.215 -21.514 1.00 0.04 H HETATM 1379 H8 EHH A 85 -7.166 8.166 -24.176 1.00 0.04 H HETATM 1380 C21 EHH A 85 -5.543 8.932 -26.208 1.00 -0.01 C HETATM 1381 N22 EHH A 85 -5.567 7.779 -27.144 1.00 0.23 N HETATM 1382 H19 EHH A 85 -5.828 8.098 -28.064 1.00 0.20 H HETATM 1383 H20 EHH A 85 -6.237 7.098 -26.822 1.00 0.20 H HETATM 1384 H21 EHH A 85 -4.652 7.358 -27.182 1.00 0.20 H HETATM 1385 H12 EHH A 85 -4.814 9.670 -26.574 1.00 0.10 H HETATM 1386 H13 EHH A 85 -6.544 9.387 -26.181 1.00 0.10 H HETATM 1387 H7 EHH A 85 -3.071 8.815 -25.133 1.00 0.04 H HETATM 1388 C19 EHH A 85 -1.963 8.140 -22.823 1.00 -0.03 C HETATM 1389 H15 EHH A 85 -1.810 7.801 -21.788 1.00 0.04 H HETATM 1390 H16 EHH A 85 -1.584 9.167 -22.932 1.00 0.04 H HETATM 1391 H17 EHH A 85 -1.421 7.474 -23.511 1.00 0.04 H HETATM 1392 C2 EHH A 85 -3.430 7.926 -19.813 1.00 0.10 C HETATM 1393 C7 EHH A 85 -2.888 9.300 -19.723 1.00 0.02 C HETATM 1394 C13 EHH A 85 -1.562 9.528 -19.365 1.00 -0.03 C HETATM 1395 C12 EHH A 85 -1.096 10.829 -19.335 1.00 0.00 C HETATM 1396 N11 EHH A 85 -1.845 11.893 -19.652 1.00 -0.31 N HETATM 1397 C10 EHH A 85 -3.114 11.659 -20.014 1.00 0.00 C HETATM 1398 C9 EHH A 85 -3.667 10.394 -20.089 1.00 -0.03 C HETATM 1399 H18 EHH A 85 -4.688 10.257 -20.427 1.00 0.07 H HETATM 1400 H5 EHH A 85 -3.741 12.508 -20.262 1.00 0.08 H HETATM 1401 H14 EHH A 85 -0.067 10.997 -19.038 1.00 0.08 H HETATM 1402 H6 EHH A 85 -0.907 8.701 -19.115 1.00 0.07 H HETATM 1403 H1 EHH A 85 -4.072 4.952 -18.646 1.00 0.13 H HETATM 1404 C6 EHH A 85 -2.785 7.151 -17.435 1.00 0.05 C HETATM 1405 H2 EHH A 85 -2.861 6.206 -16.878 1.00 0.06 H HETATM 1406 H3 EHH A 85 -3.353 7.933 -16.910 1.00 0.06 H HETATM 1407 H4 EHH A 85 -1.729 7.451 -17.507 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 820 821 832 833 834 CONECT 832 820 CONECT 833 820 CONECT 834 820 CONECT 1365 1366 1392 1404 CONECT 1366 1365 1367 1403 CONECT 1367 1366 1368 CONECT 1368 1367 1369 1392 CONECT 1369 1368 1370 1374 CONECT 1370 1369 1371 1388 CONECT 1371 1370 1372 1387 CONECT 1372 1371 1373 1380 CONECT 1373 1372 1374 1379 CONECT 1374 1369 1373 1375 CONECT 1375 1374 1376 1377 1378 CONECT 1376 1375 CONECT 1377 1375 CONECT 1378 1375 CONECT 1379 1373 CONECT 1380 1372 1381 1385 1386 CONECT 1381 1380 1382 1383 1384 CONECT 1382 1381 CONECT 1383 1381 CONECT 1384 1381 CONECT 1385 1380 CONECT 1386 1380 CONECT 1387 1371 CONECT 1388 1370 1389 1390 1391 CONECT 1389 1388 CONECT 1390 1388 CONECT 1391 1388 CONECT 1392 1365 1368 1393 CONECT 1393 1392 1394 1398 CONECT 1394 1393 1395 1402 CONECT 1395 1394 1396 1401 CONECT 1396 1395 1397 CONECT 1397 1396 1398 1400 CONECT 1398 1393 1397 1399 CONECT 1399 1398 CONECT 1400 1397 CONECT 1401 1395 CONECT 1402 1394 CONECT 1403 1366 CONECT 1404 1365 1405 1406 1407 CONECT 1405 1404 CONECT 1406 1404 CONECT 1407 1404 MASTER 0 0 0 0 0 0 0 0 1405 2 51 11 END
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Related entries of code: 6g2e
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
136aa, >6G2O_1|Chain... at 100%
6g2f
RCSB PDB
PDBbind
136aa, >6G2F_1|Chain... at 100%
6g2c
RCSB PDB
PDBbind
136aa, >6G2C_1|Chain... at 100%
6g2b
RCSB PDB
PDBbind
136aa, >6G2B_1|Chain... at 100%
6g29
RCSB PDB
PDBbind
136aa, >6G29_1|Chain... at 100%
6g27
RCSB PDB
PDBbind
136aa, >6G27_1|Chain... at 100%
6g25
RCSB PDB
PDBbind
136aa, >6G25_1|Chain... at 100%
6g24
RCSB PDB
PDBbind
136aa, >6G24_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6g2e
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone-lysine N-methyltransferase NSD3
Ligand Name
EHH
EC.Number
E.C.2.1.1.43
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=9.7uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat.Chem.Biol. Vol. 15: pp. 822-829
Ligand Properties
Formula
C
1
8
H
2
1
N
4
Molecular Weight
293.386
Exact Mass
293.177
No. of atoms
43
No. of bonds
45
Polar Surface Area
58.35
LOGP Value
1.85 (
Computed with XLOGP3
)
2.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
[NH3+]Cc1cc(C)c(c(c1)C)c1ncn(c1c1ccncc1)C
InChI String
InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9BZ95
Entrez Gene ID
NCBI Entrez Gene ID:
54904
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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