Browse entries in the PDBbind-CN Database
HEADER 6G2C_COMPLEX COMPND 6G2C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 77 VAL LYS PHE GLN VAL GLY ASP LEU VAL TRP SER LYS VAL SEQRES 2 A 77 GLY THR TYR PRO TRP TRP PRO CYS MET VAL SER SER ASP SEQRES 3 A 77 PRO GLN LEU GLU VAL HIS THR LYS ILE ASN THR ARG GLY SEQRES 4 A 77 ALA ARG GLU TYR HIS VAL GLN PHE PHE SER ASN GLN PRO SEQRES 5 A 77 GLU ARG ALA TRP VAL HIS GLU LYS ARG VAL ARG GLU TYR SEQRES 6 A 77 LYS GLY HIS LYS GLN TYR GLU GLU LEU LEU ALA GLU SEQRES 1 A 44 GLN LYS ILE ARG LYS PRO ARG PRO GLN ARG GLU ARG ALA SEQRES 2 A 44 GLN TRP ASP ILE GLY ILE ALA HIS ALA GLU LYS ALA LEU SEQRES 3 A 44 LYS MET THR ARG GLU GLU ARG ILE GLU GLN TYR THR PHE SEQRES 4 A 44 ILE TYR ILE ASP LYS HET EHT A 231 33 ATOM 1 N VAL A 266 -23.061 2.778 -7.110 1.00 46.91 N ATOM 2 CA VAL A 266 -22.425 4.027 -7.538 1.00 43.79 C ATOM 3 C VAL A 266 -21.695 4.691 -6.355 1.00 45.29 C ATOM 4 O VAL A 266 -22.309 5.402 -5.553 1.00 47.28 O ATOM 5 CB VAL A 266 -23.394 5.003 -8.264 1.00 47.52 C ATOM 6 CG1 VAL A 266 -22.625 6.153 -8.913 1.00 45.13 C ATOM 7 CG2 VAL A 266 -24.244 4.278 -9.303 1.00 48.32 C ATOM 8 HN3 VAL A 266 -23.749 2.981 -6.357 1.00 0.00 H ATOM 9 HN2 VAL A 266 -22.335 2.126 -6.750 1.00 0.00 H ATOM 10 HN1 VAL A 266 -23.548 2.344 -7.919 1.00 0.00 H ATOM 11 N LYS A 267 -20.384 4.442 -6.266 1.00 37.11 N ATOM 12 CA LYS A 267 -19.478 4.919 -5.218 1.00 35.76 C ATOM 13 C LYS A 267 -18.880 6.302 -5.518 1.00 33.34 C ATOM 14 O LYS A 267 -18.366 6.949 -4.602 1.00 32.05 O ATOM 15 CB LYS A 267 -18.330 3.908 -5.011 1.00 39.19 C ATOM 16 CG LYS A 267 -18.772 2.552 -4.472 1.00 59.97 C ATOM 17 CD LYS A 267 -17.587 1.624 -4.268 1.00 73.64 C ATOM 18 CE LYS A 267 -18.014 0.265 -3.772 1.00 89.95 C ATOM 19 NZ LYS A 267 -16.842 -0.593 -3.451 1.00101.76 N ATOM 20 HZ1 LYS A 267 -16.263 -0.721 -4.306 1.00 0.00 H ATOM 21 HZ2 LYS A 267 -16.272 -0.136 -2.710 1.00 0.00 H ATOM 22 HZ3 LYS A 267 -17.174 -1.519 -3.113 1.00 0.00 H ATOM 23 H LYS A 267 -19.967 3.852 -7.014 1.00 0.00 H ATOM 24 N PHE A 268 -18.903 6.736 -6.788 1.00 26.30 N ATOM 25 CA PHE A 268 -18.320 8.023 -7.179 1.00 24.11 C ATOM 26 C PHE A 268 -19.292 8.917 -7.915 1.00 26.96 C ATOM 27 O PHE A 268 -20.176 8.432 -8.621 1.00 26.84 O ATOM 28 CB PHE A 268 -17.028 7.826 -7.997 1.00 24.23 C ATOM 29 CG PHE A 268 -15.984 7.014 -7.266 1.00 25.63 C ATOM 30 CD1 PHE A 268 -15.284 7.555 -6.189 1.00 27.31 C ATOM 31 CD2 PHE A 268 -15.722 5.699 -7.631 1.00 28.05 C ATOM 32 CE1 PHE A 268 -14.324 6.799 -5.503 1.00 28.45 C ATOM 33 CE2 PHE A 268 -14.778 4.936 -6.926 1.00 31.12 C ATOM 34 CZ PHE A 268 -14.088 5.495 -5.867 1.00 28.57 C ATOM 35 H PHE A 268 -19.348 6.142 -7.516 1.00 0.00 H ATOM 36 N GLN A 269 -19.134 10.230 -7.735 1.00 23.67 N ATOM 37 CA GLN A 269 -19.981 11.229 -8.389 1.00 23.37 C ATOM 38 C GLN A 269 -19.088 12.203 -9.144 1.00 23.90 C ATOM 39 O GLN A 269 -17.869 12.174 -8.950 1.00 21.75 O ATOM 40 CB GLN A 269 -20.883 11.953 -7.364 1.00 25.69 C ATOM 41 CG GLN A 269 -21.963 11.059 -6.731 1.00 43.55 C ATOM 42 CD GLN A 269 -23.110 10.733 -7.670 1.00 65.52 C ATOM 43 OE1 GLN A 269 -23.882 11.606 -8.087 1.00 64.00 O ATOM 44 NE2 GLN A 269 -23.271 9.459 -7.994 1.00 52.51 N ATOM 45 HE22 GLN A 269 -22.610 8.743 -7.632 1.00 0.00 H ATOM 46 HE21 GLN A 269 -24.059 9.175 -8.611 1.00 0.00 H ATOM 47 H GLN A 269 -18.376 10.558 -7.103 1.00 0.00 H ATOM 48 N VAL A 270 -19.679 13.038 -10.029 1.00 19.41 N ATOM 49 CA VAL A 270 -18.936 14.026 -10.833 1.00 17.98 C ATOM 50 C VAL A 270 -18.152 14.955 -9.896 1.00 21.07 C ATOM 51 O VAL A 270 -18.692 15.362 -8.870 1.00 20.62 O ATOM 52 CB VAL A 270 -19.908 14.831 -11.761 1.00 21.20 C ATOM 53 CG1 VAL A 270 -19.200 15.993 -12.452 1.00 20.41 C ATOM 54 CG2 VAL A 270 -20.562 13.927 -12.798 1.00 21.21 C ATOM 55 H VAL A 270 -20.710 12.980 -10.149 1.00 0.00 H ATOM 56 N GLY A 271 -16.887 15.226 -10.227 1.00 18.78 N ATOM 57 CA GLY A 271 -16.030 16.090 -9.419 1.00 18.84 C ATOM 58 C GLY A 271 -15.206 15.375 -8.367 1.00 22.16 C ATOM 59 O GLY A 271 -14.327 15.989 -7.759 1.00 22.27 O ATOM 60 H GLY A 271 -16.497 14.805 -11.094 1.00 0.00 H ATOM 61 N ASP A 272 -15.477 14.080 -8.133 1.00 19.40 N ATOM 62 CA ASP A 272 -14.686 13.300 -7.169 1.00 19.17 C ATOM 63 C ASP A 272 -13.287 13.087 -7.721 1.00 21.42 C ATOM 64 O ASP A 272 -13.129 12.828 -8.922 1.00 19.34 O ATOM 65 CB ASP A 272 -15.323 11.925 -6.889 1.00 20.76 C ATOM 66 CG ASP A 272 -16.480 11.941 -5.900 1.00 25.93 C ATOM 67 OD1 ASP A 272 -16.626 12.944 -5.167 1.00 27.60 O ATOM 68 OD2 ASP A 272 -17.199 10.924 -5.812 1.00 26.78 O ATOM 69 H ASP A 272 -16.259 13.621 -8.642 1.00 0.00 H ATOM 70 N LEU A 273 -12.279 13.169 -6.836 1.00 18.56 N ATOM 71 CA LEU A 273 -10.898 12.905 -7.224 1.00 17.86 C ATOM 72 C LEU A 273 -10.627 11.431 -7.009 1.00 19.62 C ATOM 73 O LEU A 273 -10.954 10.884 -5.950 1.00 18.16 O ATOM 74 CB LEU A 273 -9.911 13.756 -6.417 1.00 18.93 C ATOM 75 CG LEU A 273 -10.022 15.260 -6.602 1.00 23.33 C ATOM 76 CD1 LEU A 273 -9.065 15.966 -5.683 1.00 24.20 C ATOM 77 CD2 LEU A 273 -9.783 15.670 -8.051 1.00 22.01 C ATOM 78 H LEU A 273 -12.489 13.427 -5.851 1.00 0.00 H ATOM 79 N VAL A 274 -10.069 10.785 -8.034 1.00 16.55 N ATOM 80 CA VAL A 274 -9.755 9.351 -8.023 1.00 15.87 C ATOM 81 C VAL A 274 -8.394 9.057 -8.642 1.00 18.99 C ATOM 82 O VAL A 274 -7.873 9.866 -9.405 1.00 17.90 O ATOM 83 CB VAL A 274 -10.856 8.484 -8.727 1.00 18.76 C ATOM 84 CG1 VAL A 274 -12.199 8.580 -8.019 1.00 18.57 C ATOM 85 CG2 VAL A 274 -10.997 8.802 -10.229 1.00 17.82 C ATOM 86 H VAL A 274 -9.843 11.329 -8.891 1.00 0.00 H ATOM 87 N TRP A 275 -7.827 7.904 -8.293 1.00 17.06 N ATOM 88 CA TRP A 275 -6.655 7.327 -8.938 1.00 16.72 C ATOM 89 C TRP A 275 -7.271 6.310 -9.920 1.00 18.19 C ATOM 90 O TRP A 275 -8.205 5.589 -9.542 1.00 17.75 O ATOM 91 CB TRP A 275 -5.795 6.528 -7.942 1.00 16.68 C ATOM 92 CG TRP A 275 -5.054 7.320 -6.909 1.00 17.68 C ATOM 93 CD1 TRP A 275 -5.418 7.507 -5.606 1.00 21.27 C ATOM 94 CD2 TRP A 275 -3.738 7.877 -7.044 1.00 17.65 C ATOM 95 NE1 TRP A 275 -4.433 8.202 -4.934 1.00 20.66 N ATOM 96 CE2 TRP A 275 -3.377 8.411 -5.782 1.00 21.67 C ATOM 97 CE3 TRP A 275 -2.825 7.985 -8.115 1.00 18.21 C ATOM 98 CZ2 TRP A 275 -2.144 9.037 -5.559 1.00 21.18 C ATOM 99 CZ3 TRP A 275 -1.607 8.618 -7.895 1.00 19.50 C ATOM 100 CH2 TRP A 275 -1.273 9.126 -6.629 1.00 20.90 C ATOM 101 HE1 TRP A 275 -4.484 8.516 -3.944 1.00 0.00 H ATOM 102 H TRP A 275 -8.251 7.377 -7.503 1.00 0.00 H ATOM 103 N SER A 276 -6.740 6.214 -11.143 1.00 16.35 N ATOM 104 CA SER A 276 -7.191 5.217 -12.122 1.00 16.19 C ATOM 105 C SER A 276 -5.976 4.456 -12.651 1.00 20.01 C ATOM 106 O SER A 276 -4.932 5.063 -12.913 1.00 20.10 O ATOM 107 CB SER A 276 -7.916 5.870 -13.301 1.00 18.67 C ATOM 108 OG SER A 276 -9.004 6.688 -12.895 1.00 21.73 O ATOM 109 HG SER A 276 -9.434 7.083 -13.694 1.00 0.00 H ATOM 110 H SER A 276 -5.979 6.870 -11.411 1.00 0.00 H ATOM 111 N LYS A 277 -6.127 3.141 -12.823 1.00 17.66 N ATOM 112 CA LYS A 277 -5.090 2.249 -13.342 1.00 18.46 C ATOM 113 C LYS A 277 -5.575 1.777 -14.707 1.00 23.27 C ATOM 114 O LYS A 277 -6.453 0.916 -14.783 1.00 22.82 O ATOM 115 CB LYS A 277 -4.867 1.073 -12.363 1.00 21.74 C ATOM 116 CG LYS A 277 -3.637 0.221 -12.650 1.00 32.39 C ATOM 117 CD LYS A 277 -2.344 0.935 -12.253 1.00 37.92 C ATOM 118 CE LYS A 277 -1.219 -0.032 -12.002 1.00 44.92 C ATOM 119 NZ LYS A 277 -0.722 -0.616 -13.261 1.00 50.00 N ATOM 120 HZ1 LYS A 277 -1.496 -1.124 -13.735 1.00 0.00 H ATOM 121 HZ2 LYS A 277 -0.374 0.143 -13.880 1.00 0.00 H ATOM 122 HZ3 LYS A 277 0.053 -1.278 -13.053 1.00 0.00 H ATOM 123 H LYS A 277 -7.045 2.722 -12.571 1.00 0.00 H ATOM 124 N VAL A 278 -5.055 2.405 -15.782 1.00 19.97 N ATOM 125 CA VAL A 278 -5.499 2.172 -17.162 1.00 20.71 C ATOM 126 C VAL A 278 -4.332 1.781 -18.072 1.00 26.19 C ATOM 127 O VAL A 278 -3.311 2.467 -18.086 1.00 25.15 O ATOM 128 CB VAL A 278 -6.223 3.438 -17.710 1.00 23.71 C ATOM 129 CG1 VAL A 278 -6.631 3.281 -19.183 1.00 24.40 C ATOM 130 CG2 VAL A 278 -7.422 3.829 -16.843 1.00 22.45 C ATOM 131 H VAL A 278 -4.294 3.096 -15.624 1.00 0.00 H ATOM 132 N GLY A 279 -4.543 0.734 -18.872 1.00 24.00 N ATOM 133 CA GLY A 279 -3.584 0.239 -19.859 1.00 24.53 C ATOM 134 C GLY A 279 -2.227 -0.096 -19.283 1.00 27.91 C ATOM 135 O GLY A 279 -2.137 -0.838 -18.306 1.00 27.77 O ATOM 136 H GLY A 279 -5.452 0.236 -18.788 1.00 0.00 H ATOM 137 N THR A 280 -1.171 0.486 -19.860 1.00 22.82 N ATOM 138 CA THR A 280 0.207 0.253 -19.423 1.00 23.40 C ATOM 139 C THR A 280 0.679 1.315 -18.427 1.00 25.65 C ATOM 140 O THR A 280 1.823 1.275 -17.977 1.00 26.23 O ATOM 141 CB THR A 280 1.151 0.197 -20.645 1.00 29.97 C ATOM 142 OG1 THR A 280 1.099 1.452 -21.322 1.00 30.81 O ATOM 143 CG2 THR A 280 0.810 -0.925 -21.603 1.00 27.12 C ATOM 144 HG1 THR A 280 1.389 2.170 -20.706 1.00 0.00 H ATOM 145 H THR A 280 -1.336 1.134 -20.656 1.00 0.00 H ATOM 146 N TYR A 281 -0.192 2.260 -18.083 1.00 21.55 N ATOM 147 CA TYR A 281 0.160 3.374 -17.215 1.00 19.94 C ATOM 148 C TYR A 281 0.092 3.069 -15.726 1.00 22.64 C ATOM 149 O TYR A 281 -0.716 2.238 -15.308 1.00 22.42 O ATOM 150 CB TYR A 281 -0.724 4.591 -17.553 1.00 20.58 C ATOM 151 CG TYR A 281 -0.406 5.175 -18.913 1.00 23.48 C ATOM 152 CD1 TYR A 281 0.590 6.138 -19.065 1.00 25.91 C ATOM 153 CD2 TYR A 281 -1.061 4.726 -20.057 1.00 24.36 C ATOM 154 CE1 TYR A 281 0.915 6.648 -20.322 1.00 28.07 C ATOM 155 CE2 TYR A 281 -0.759 5.246 -21.313 1.00 25.64 C ATOM 156 CZ TYR A 281 0.229 6.205 -21.441 1.00 33.47 C ATOM 157 OH TYR A 281 0.523 6.711 -22.682 1.00 37.75 O ATOM 158 HH TYR A 281 1.247 7.381 -22.601 1.00 0.00 H ATOM 159 H TYR A 281 -1.164 2.200 -18.449 1.00 0.00 H ATOM 160 N PRO A 282 0.880 3.791 -14.894 1.00 18.92 N ATOM 161 CA PRO A 282 0.786 3.588 -13.444 1.00 19.41 C ATOM 162 C PRO A 282 -0.497 4.222 -12.889 1.00 21.04 C ATOM 163 O PRO A 282 -1.176 4.962 -13.612 1.00 19.30 O ATOM 164 CB PRO A 282 2.008 4.357 -12.930 1.00 21.75 C ATOM 165 CG PRO A 282 2.127 5.515 -13.886 1.00 25.07 C ATOM 166 CD PRO A 282 1.861 4.852 -15.218 1.00 21.21 C ATOM 167 N TRP A 283 -0.812 3.979 -11.600 1.00 18.81 N ATOM 168 CA TRP A 283 -1.958 4.633 -10.947 1.00 18.25 C ATOM 169 C TRP A 283 -1.844 6.144 -11.209 1.00 21.43 C ATOM 170 O TRP A 283 -0.775 6.733 -10.997 1.00 21.33 O ATOM 171 CB TRP A 283 -1.943 4.341 -9.456 1.00 17.78 C ATOM 172 CG TRP A 283 -2.380 2.945 -9.132 1.00 19.64 C ATOM 173 CD1 TRP A 283 -1.578 1.885 -8.826 1.00 23.54 C ATOM 174 CD2 TRP A 283 -3.730 2.468 -9.054 1.00 19.59 C ATOM 175 NE1 TRP A 283 -2.348 0.780 -8.532 1.00 23.52 N ATOM 176 CE2 TRP A 283 -3.672 1.108 -8.670 1.00 24.33 C ATOM 177 CE3 TRP A 283 -4.989 3.059 -9.270 1.00 20.29 C ATOM 178 CZ2 TRP A 283 -4.827 0.323 -8.502 1.00 24.44 C ATOM 179 CZ3 TRP A 283 -6.130 2.285 -9.097 1.00 22.29 C ATOM 180 CH2 TRP A 283 -6.044 0.934 -8.717 1.00 24.18 C ATOM 181 HE1 TRP A 283 -1.983 -0.152 -8.251 1.00 0.00 H ATOM 182 H TRP A 283 -0.230 3.312 -11.053 1.00 0.00 H ATOM 183 N TRP A 284 -2.904 6.734 -11.790 1.00 17.14 N ATOM 184 CA TRP A 284 -2.877 8.108 -12.265 1.00 16.39 C ATOM 185 C TRP A 284 -3.950 8.994 -11.645 1.00 17.46 C ATOM 186 O TRP A 284 -5.089 8.553 -11.549 1.00 17.00 O ATOM 187 CB TRP A 284 -3.041 8.108 -13.799 1.00 15.64 C ATOM 188 CG TRP A 284 -2.403 9.282 -14.480 1.00 16.58 C ATOM 189 CD1 TRP A 284 -2.945 10.522 -14.665 1.00 19.30 C ATOM 190 CD2 TRP A 284 -1.102 9.318 -15.077 1.00 17.38 C ATOM 191 NE1 TRP A 284 -2.029 11.355 -15.273 1.00 19.07 N ATOM 192 CE2 TRP A 284 -0.897 10.634 -15.561 1.00 20.81 C ATOM 193 CE3 TRP A 284 -0.084 8.360 -15.263 1.00 19.11 C ATOM 194 CZ2 TRP A 284 0.270 11.010 -16.233 1.00 21.45 C ATOM 195 CZ3 TRP A 284 1.079 8.738 -15.915 1.00 21.14 C ATOM 196 CH2 TRP A 284 1.247 10.046 -16.399 1.00 21.91 C ATOM 197 HE1 TRP A 284 -2.173 12.364 -15.479 1.00 0.00 H ATOM 198 H TRP A 284 -3.780 6.184 -11.904 1.00 0.00 H ATOM 199 N PRO A 285 -3.616 10.263 -11.289 1.00 13.53 N ATOM 200 CA PRO A 285 -4.631 11.168 -10.715 1.00 13.54 C ATOM 201 C PRO A 285 -5.677 11.590 -11.746 1.00 17.69 C ATOM 202 O PRO A 285 -5.338 12.005 -12.846 1.00 16.38 O ATOM 203 CB PRO A 285 -3.809 12.367 -10.239 1.00 15.47 C ATOM 204 CG PRO A 285 -2.586 12.358 -11.090 1.00 18.89 C ATOM 205 CD PRO A 285 -2.284 10.916 -11.337 1.00 14.63 C ATOM 206 N CYS A 286 -6.960 11.461 -11.369 1.00 15.13 N ATOM 207 CA CYS A 286 -8.115 11.737 -12.218 1.00 15.02 C ATOM 208 C CYS A 286 -9.211 12.501 -11.497 1.00 16.93 C ATOM 209 O CYS A 286 -9.228 12.594 -10.270 1.00 16.23 O ATOM 210 CB CYS A 286 -8.679 10.426 -12.760 1.00 14.67 C ATOM 211 SG CYS A 286 -7.519 9.467 -13.760 1.00 18.58 S ATOM 212 H CYS A 286 -7.145 11.140 -10.397 1.00 0.00 H ATOM 213 N MET A 287 -10.164 12.998 -12.278 1.00 15.00 N ATOM 214 CA MET A 287 -11.404 13.589 -11.761 1.00 13.58 C ATOM 215 C MET A 287 -12.553 12.901 -12.497 1.00 18.05 C ATOM 216 O MET A 287 -12.532 12.825 -13.743 1.00 17.22 O ATOM 217 CB MET A 287 -11.492 15.101 -11.972 1.00 14.83 C ATOM 218 CG MET A 287 -12.727 15.701 -11.256 1.00 17.31 C ATOM 219 SD MET A 287 -13.031 17.449 -11.559 1.00 20.81 S ATOM 220 CE MET A 287 -13.441 17.442 -13.308 1.00 18.23 C ATOM 221 H MET A 287 -10.024 12.967 -13.308 1.00 0.00 H ATOM 222 N VAL A 288 -13.551 12.407 -11.732 1.00 15.26 N ATOM 223 CA VAL A 288 -14.750 11.783 -12.302 1.00 15.54 C ATOM 224 C VAL A 288 -15.548 12.895 -13.020 1.00 18.18 C ATOM 225 O VAL A 288 -15.688 13.995 -12.491 1.00 17.45 O ATOM 226 CB VAL A 288 -15.594 11.030 -11.218 1.00 20.43 C ATOM 227 CG1 VAL A 288 -16.892 10.482 -11.805 1.00 21.18 C ATOM 228 CG2 VAL A 288 -14.782 9.903 -10.572 1.00 20.46 C ATOM 229 H VAL A 288 -13.466 12.472 -10.698 1.00 0.00 H ATOM 230 N SER A 289 -16.032 12.615 -14.234 1.00 14.34 N ATOM 231 CA SER A 289 -16.780 13.587 -15.017 1.00 14.50 C ATOM 232 C SER A 289 -17.840 12.875 -15.837 1.00 19.97 C ATOM 233 O SER A 289 -17.782 11.655 -15.984 1.00 19.17 O ATOM 234 CB SER A 289 -15.825 14.332 -15.944 1.00 15.33 C ATOM 235 OG SER A 289 -15.361 13.445 -16.950 1.00 19.05 O ATOM 236 HG SER A 289 -14.741 13.927 -17.553 1.00 0.00 H ATOM 237 H SER A 289 -15.868 11.669 -14.633 1.00 0.00 H ATOM 238 N SER A 290 -18.787 13.646 -16.394 1.00 17.41 N ATOM 239 CA SER A 290 -19.853 13.121 -17.236 1.00 18.27 C ATOM 240 C SER A 290 -19.311 12.952 -18.668 1.00 22.54 C ATOM 241 O SER A 290 -18.619 13.845 -19.167 1.00 22.62 O ATOM 242 CB SER A 290 -21.037 14.080 -17.217 1.00 23.66 C ATOM 243 OG SER A 290 -22.146 13.539 -17.911 1.00 34.51 O ATOM 244 HG SER A 290 -22.898 14.182 -17.882 1.00 0.00 H ATOM 245 H SER A 290 -18.758 14.670 -16.215 1.00 0.00 H ATOM 246 N ASP A 291 -19.532 11.784 -19.285 1.00 20.26 N ATOM 247 CA ASP A 291 -19.105 11.534 -20.677 1.00 20.58 C ATOM 248 C ASP A 291 -19.798 12.588 -21.573 1.00 27.07 C ATOM 249 O ASP A 291 -20.998 12.812 -21.414 1.00 27.05 O ATOM 250 CB ASP A 291 -19.464 10.105 -21.132 1.00 23.26 C ATOM 251 CG ASP A 291 -19.059 9.782 -22.566 1.00 29.52 C ATOM 252 OD1 ASP A 291 -19.639 10.374 -23.490 1.00 32.25 O ATOM 253 OD2 ASP A 291 -18.182 8.918 -22.755 1.00 33.48 O ATOM 254 H ASP A 291 -20.021 11.027 -18.766 1.00 0.00 H ATOM 255 N PRO A 292 -19.043 13.297 -22.449 1.00 27.14 N ATOM 256 CA PRO A 292 -19.645 14.384 -23.251 1.00 28.92 C ATOM 257 C PRO A 292 -20.770 13.983 -24.197 1.00 36.52 C ATOM 258 O PRO A 292 -21.590 14.833 -24.544 1.00 37.92 O ATOM 259 CB PRO A 292 -18.452 14.929 -24.044 1.00 30.32 C ATOM 260 CG PRO A 292 -17.481 13.770 -24.112 1.00 33.45 C ATOM 261 CD PRO A 292 -17.599 13.171 -22.736 1.00 28.21 C ATOM 262 N GLN A 293 -20.788 12.710 -24.629 1.00 34.72 N ATOM 263 CA GLN A 293 -21.783 12.178 -25.561 1.00 37.12 C ATOM 264 C GLN A 293 -22.867 11.363 -24.861 1.00 40.84 C ATOM 265 O GLN A 293 -24.042 11.485 -25.221 1.00 42.34 O ATOM 266 CB GLN A 293 -21.101 11.352 -26.663 1.00 39.75 C ATOM 267 CG GLN A 293 -20.172 12.171 -27.572 1.00 58.38 C ATOM 268 CD GLN A 293 -18.957 11.397 -28.037 1.00 80.30 C ATOM 269 OE1 GLN A 293 -18.714 10.246 -27.646 1.00 76.67 O ATOM 270 NE2 GLN A 293 -18.150 12.021 -28.879 1.00 74.16 N ATOM 271 HE22 GLN A 293 -18.373 12.987 -29.194 1.00 0.00 H ATOM 272 HE21 GLN A 293 -17.292 11.546 -29.226 1.00 0.00 H ATOM 273 H GLN A 293 -20.051 12.065 -24.280 1.00 0.00 H ATOM 274 N LEU A 294 -22.491 10.541 -23.859 1.00 34.98 N ATOM 275 CA LEU A 294 -23.476 9.731 -23.131 1.00 34.86 C ATOM 276 C LEU A 294 -24.192 10.514 -22.023 1.00 35.77 C ATOM 277 O LEU A 294 -25.297 10.136 -21.623 1.00 36.48 O ATOM 278 CB LEU A 294 -22.869 8.417 -22.600 1.00 34.54 C ATOM 279 CG LEU A 294 -22.423 7.399 -23.666 1.00 40.50 C ATOM 280 CD1 LEU A 294 -21.573 6.307 -23.052 1.00 40.22 C ATOM 281 CD2 LEU A 294 -23.626 6.770 -24.403 1.00 44.91 C ATOM 282 H LEU A 294 -21.486 10.480 -23.598 1.00 0.00 H ATOM 283 N GLU A 295 -23.565 11.610 -21.539 1.00 29.43 N ATOM 284 CA GLU A 295 -24.082 12.514 -20.499 1.00 28.53 C ATOM 285 C GLU A 295 -24.362 11.786 -19.182 1.00 29.91 C ATOM 286 O GLU A 295 -25.291 12.140 -18.438 1.00 30.25 O ATOM 287 CB GLU A 295 -25.297 13.337 -20.984 1.00 31.89 C ATOM 288 CG GLU A 295 -25.056 14.103 -22.277 1.00 44.07 C ATOM 289 CD GLU A 295 -26.240 14.926 -22.750 1.00 63.51 C ATOM 290 OE1 GLU A 295 -27.353 14.363 -22.875 1.00 53.03 O ATOM 291 OE2 GLU A 295 -26.046 16.133 -23.021 1.00 50.98 O ATOM 292 H GLU A 295 -22.631 11.835 -21.938 1.00 0.00 H ATOM 293 N VAL A 296 -23.507 10.785 -18.885 1.00 24.63 N ATOM 294 CA VAL A 296 -23.493 9.997 -17.647 1.00 24.00 C ATOM 295 C VAL A 296 -22.035 9.872 -17.191 1.00 24.26 C ATOM 296 O VAL A 296 -21.128 9.851 -18.034 1.00 22.31 O ATOM 297 CB VAL A 296 -24.183 8.602 -17.758 1.00 29.23 C ATOM 298 CG1 VAL A 296 -25.694 8.735 -17.901 1.00 31.17 C ATOM 299 CG2 VAL A 296 -23.585 7.752 -18.884 1.00 29.22 C ATOM 300 H VAL A 296 -22.790 10.550 -19.601 1.00 0.00 H ATOM 301 N HIS A 297 -21.810 9.789 -15.873 1.00 20.10 N ATOM 302 CA HIS A 297 -20.449 9.652 -15.325 1.00 18.98 C ATOM 303 C HIS A 297 -20.156 8.187 -14.940 1.00 22.50 C ATOM 304 O HIS A 297 -19.031 7.832 -14.557 1.00 21.22 O ATOM 305 CB HIS A 297 -20.282 10.585 -14.116 1.00 19.38 C ATOM 306 CG HIS A 297 -20.972 10.087 -12.882 1.00 23.49 C ATOM 307 ND1 HIS A 297 -22.341 10.202 -12.729 1.00 26.63 N ATOM 308 CD2 HIS A 297 -20.463 9.434 -11.809 1.00 25.08 C ATOM 309 CE1 HIS A 297 -22.621 9.648 -11.560 1.00 26.85 C ATOM 310 NE2 HIS A 297 -21.521 9.165 -10.972 1.00 26.25 N ATOM 311 H HIS A 297 -22.618 9.822 -15.219 1.00 0.00 H ATOM 312 N THR A 298 -21.202 7.350 -14.985 1.00 21.27 N ATOM 313 CA THR A 298 -21.098 5.929 -14.666 1.00 21.00 C ATOM 314 C THR A 298 -21.996 5.117 -15.607 1.00 24.02 C ATOM 315 O THR A 298 -22.981 5.642 -16.128 1.00 23.88 O ATOM 316 CB THR A 298 -21.375 5.658 -13.162 1.00 25.91 C ATOM 317 OG1 THR A 298 -21.023 4.306 -12.862 1.00 24.80 O ATOM 318 CG2 THR A 298 -22.843 5.907 -12.757 1.00 26.19 C ATOM 319 HG1 THR A 298 -20.062 4.165 -13.056 1.00 0.00 H ATOM 320 H THR A 298 -22.130 7.730 -15.260 1.00 0.00 H ATOM 321 N LYS A 299 -21.626 3.856 -15.857 1.00 21.39 N ATOM 322 CA LYS A 299 -22.429 2.953 -16.708 1.00 22.82 C ATOM 323 C LYS A 299 -22.082 1.507 -16.433 1.00 26.97 C ATOM 324 O LYS A 299 -21.024 1.206 -15.872 1.00 26.29 O ATOM 325 CB LYS A 299 -22.229 3.261 -18.222 1.00 24.52 C ATOM 326 CG LYS A 299 -20.908 2.747 -18.800 1.00 29.56 C ATOM 327 CD LYS A 299 -20.599 3.279 -20.185 1.00 36.28 C ATOM 328 CE LYS A 299 -19.430 2.530 -20.772 1.00 40.56 C ATOM 329 NZ LYS A 299 -18.977 3.125 -22.054 1.00 48.64 N ATOM 330 HZ1 LYS A 299 -19.757 3.101 -22.741 1.00 0.00 H ATOM 331 HZ2 LYS A 299 -18.685 4.110 -21.894 1.00 0.00 H ATOM 332 HZ3 LYS A 299 -18.172 2.579 -22.423 1.00 0.00 H ATOM 333 H LYS A 299 -20.743 3.499 -15.438 1.00 0.00 H ATOM 334 N ILE A 300 -22.947 0.612 -16.899 1.00 24.64 N ATOM 335 CA ILE A 300 -22.715 -0.823 -16.857 1.00 25.20 C ATOM 336 C ILE A 300 -22.235 -1.151 -18.278 1.00 29.37 C ATOM 337 O ILE A 300 -22.923 -0.827 -19.254 1.00 28.39 O ATOM 338 CB ILE A 300 -24.009 -1.604 -16.456 1.00 30.52 C ATOM 339 CG1 ILE A 300 -24.600 -1.119 -15.092 1.00 31.59 C ATOM 340 CG2 ILE A 300 -23.786 -3.117 -16.480 1.00 32.28 C ATOM 341 CD1 ILE A 300 -23.668 -1.276 -13.805 1.00 37.93 C ATOM 342 H ILE A 300 -23.836 0.956 -17.315 1.00 0.00 H ATOM 343 N ASN A 301 -21.045 -1.753 -18.385 1.00 26.87 N ATOM 344 CA ASN A 301 -20.439 -2.089 -19.671 1.00 27.16 C ATOM 345 C ASN A 301 -21.059 -3.339 -20.314 1.00 33.44 C ATOM 346 O ASN A 301 -21.951 -3.974 -19.732 1.00 32.64 O ATOM 347 CB ASN A 301 -18.898 -2.185 -19.546 1.00 27.11 C ATOM 348 CG ASN A 301 -18.355 -3.346 -18.737 1.00 40.60 C ATOM 349 OD1 ASN A 301 -19.027 -4.352 -18.471 1.00 31.04 O ATOM 350 ND2 ASN A 301 -17.093 -3.249 -18.364 1.00 30.76 N ATOM 351 HD22 ASN A 301 -16.546 -2.396 -18.597 1.00 0.00 H ATOM 352 HD21 ASN A 301 -16.645 -4.026 -17.837 1.00 0.00 H ATOM 353 H ASN A 301 -20.529 -1.992 -17.514 1.00 0.00 H ATOM 354 N THR A 302 -20.566 -3.704 -21.512 1.00 31.38 N ATOM 355 CA THR A 302 -21.044 -4.860 -22.283 1.00 33.71 C ATOM 356 C THR A 302 -20.752 -6.216 -21.609 1.00 38.07 C ATOM 357 O THR A 302 -21.316 -7.239 -22.016 1.00 38.00 O ATOM 358 CB THR A 302 -20.515 -4.805 -23.718 1.00 47.22 C ATOM 359 OG1 THR A 302 -19.088 -4.790 -23.695 1.00 45.11 O ATOM 360 CG2 THR A 302 -21.058 -3.605 -24.495 1.00 46.65 C ATOM 361 HG1 THR A 302 -18.776 -3.994 -23.195 1.00 0.00 H ATOM 362 H THR A 302 -19.798 -3.132 -21.918 1.00 0.00 H ATOM 363 N ARG A 303 -19.879 -6.227 -20.583 1.00 34.10 N ATOM 364 CA ARG A 303 -19.579 -7.444 -19.821 1.00 36.10 C ATOM 365 C ARG A 303 -20.409 -7.479 -18.521 1.00 39.49 C ATOM 366 O ARG A 303 -20.324 -8.437 -17.754 1.00 40.50 O ATOM 367 CB ARG A 303 -18.070 -7.569 -19.542 1.00 37.45 C ATOM 368 CG ARG A 303 -17.310 -8.240 -20.678 1.00 55.68 C ATOM 369 CD ARG A 303 -15.813 -8.166 -20.452 1.00 75.71 C ATOM 370 NE ARG A 303 -15.066 -8.434 -21.681 1.00 94.79 N ATOM 371 CZ ARG A 303 -13.749 -8.298 -21.807 1.00113.81 C ATOM 372 NH1 ARG A 303 -13.014 -7.894 -20.777 1.00102.20 N ATOM 373 NH2 ARG A 303 -13.156 -8.562 -22.964 1.00103.26 N ATOM 374 HE ARG A 303 -15.602 -8.753 -22.513 1.00 0.00 H ATOM 375 HH12 ARG A 303 -11.985 -7.790 -20.882 1.00 0.00 H ATOM 376 HH11 ARG A 303 -13.468 -7.682 -19.866 1.00 0.00 H ATOM 377 HH22 ARG A 303 -12.126 -8.454 -23.057 1.00 0.00 H ATOM 378 HH21 ARG A 303 -13.721 -8.877 -23.778 1.00 0.00 H ATOM 379 H ARG A 303 -19.401 -5.341 -20.322 1.00 0.00 H ATOM 380 N GLY A 304 -21.222 -6.444 -18.316 1.00 34.68 N ATOM 381 CA GLY A 304 -22.101 -6.318 -17.157 1.00 35.03 C ATOM 382 C GLY A 304 -21.446 -5.746 -15.913 1.00 36.71 C ATOM 383 O GLY A 304 -21.993 -5.879 -14.817 1.00 37.22 O ATOM 384 H GLY A 304 -21.231 -5.681 -19.023 1.00 0.00 H ATOM 385 N ALA A 305 -20.280 -5.095 -16.065 1.00 31.21 N ATOM 386 CA ALA A 305 -19.555 -4.507 -14.942 1.00 29.60 C ATOM 387 C ALA A 305 -19.682 -2.989 -14.896 1.00 31.01 C ATOM 388 O ALA A 305 -19.791 -2.348 -15.946 1.00 30.13 O ATOM 389 CB ALA A 305 -18.091 -4.896 -15.005 1.00 29.89 C ATOM 390 H ALA A 305 -19.878 -5.007 -17.020 1.00 0.00 H ATOM 391 N ARG A 306 -19.617 -2.408 -13.686 1.00 26.54 N ATOM 392 CA ARG A 306 -19.677 -0.960 -13.533 1.00 25.34 C ATOM 393 C ARG A 306 -18.369 -0.291 -13.958 1.00 27.11 C ATOM 394 O ARG A 306 -17.272 -0.792 -13.674 1.00 26.10 O ATOM 395 CB ARG A 306 -20.053 -0.536 -12.101 1.00 26.53 C ATOM 396 CG ARG A 306 -20.163 0.991 -11.957 1.00 32.21 C ATOM 397 CD ARG A 306 -20.931 1.459 -10.741 1.00 35.93 C ATOM 398 NE ARG A 306 -22.279 0.893 -10.667 1.00 34.08 N ATOM 399 CZ ARG A 306 -23.348 1.362 -11.307 1.00 46.27 C ATOM 400 NH1 ARG A 306 -24.528 0.783 -11.146 1.00 39.24 N ATOM 401 NH2 ARG A 306 -23.243 2.412 -12.115 1.00 31.96 N ATOM 402 HE ARG A 306 -22.413 0.056 -10.065 1.00 0.00 H ATOM 403 HH12 ARG A 306 -25.361 1.152 -11.648 1.00 0.00 H ATOM 404 HH11 ARG A 306 -24.622 -0.041 -10.518 1.00 0.00 H ATOM 405 HH22 ARG A 306 -24.083 2.772 -12.611 1.00 0.00 H ATOM 406 HH21 ARG A 306 -22.321 2.873 -12.251 1.00 0.00 H ATOM 407 H ARG A 306 -19.522 -3.005 -12.840 1.00 0.00 H ATOM 408 N GLU A 307 -18.513 0.838 -14.663 1.00 22.51 N ATOM 409 CA GLU A 307 -17.419 1.688 -15.090 1.00 21.01 C ATOM 410 C GLU A 307 -17.697 3.150 -14.729 1.00 22.88 C ATOM 411 O GLU A 307 -18.854 3.562 -14.640 1.00 21.33 O ATOM 412 CB GLU A 307 -17.195 1.562 -16.604 1.00 22.41 C ATOM 413 CG GLU A 307 -16.561 0.242 -17.023 1.00 25.04 C ATOM 414 CD GLU A 307 -16.270 0.119 -18.503 1.00 30.69 C ATOM 415 OE1 GLU A 307 -16.749 0.976 -19.281 1.00 28.12 O ATOM 416 OE2 GLU A 307 -15.629 -0.883 -18.893 1.00 27.25 O ATOM 417 H GLU A 307 -19.478 1.126 -14.923 1.00 0.00 H ATOM 418 N TYR A 308 -16.628 3.926 -14.555 1.00 18.45 N ATOM 419 CA TYR A 308 -16.692 5.355 -14.290 1.00 17.78 C ATOM 420 C TYR A 308 -15.960 6.115 -15.386 1.00 20.23 C ATOM 421 O TYR A 308 -14.951 5.638 -15.914 1.00 18.95 O ATOM 422 CB TYR A 308 -16.072 5.696 -12.928 1.00 18.46 C ATOM 423 CG TYR A 308 -16.868 5.150 -11.763 1.00 20.10 C ATOM 424 CD1 TYR A 308 -18.002 5.812 -11.295 1.00 21.85 C ATOM 425 CD2 TYR A 308 -16.522 3.943 -11.161 1.00 21.38 C ATOM 426 CE1 TYR A 308 -18.759 5.296 -10.241 1.00 22.54 C ATOM 427 CE2 TYR A 308 -17.274 3.416 -10.107 1.00 23.48 C ATOM 428 CZ TYR A 308 -18.390 4.098 -9.650 1.00 28.33 C ATOM 429 OH TYR A 308 -19.125 3.599 -8.600 1.00 31.70 O ATOM 430 HH TYR A 308 -19.880 4.209 -8.408 1.00 0.00 H ATOM 431 H TYR A 308 -15.689 3.482 -14.612 1.00 0.00 H ATOM 432 N HIS A 309 -16.488 7.289 -15.743 1.00 15.72 N ATOM 433 CA HIS A 309 -15.857 8.155 -16.732 1.00 14.13 C ATOM 434 C HIS A 309 -14.938 9.107 -15.997 1.00 16.35 C ATOM 435 O HIS A 309 -15.336 9.753 -15.020 1.00 15.50 O ATOM 436 CB HIS A 309 -16.915 8.893 -17.562 1.00 15.77 C ATOM 437 CG HIS A 309 -16.329 9.754 -18.629 1.00 18.05 C ATOM 438 ND1 HIS A 309 -15.938 11.062 -18.371 1.00 18.72 N ATOM 439 CD2 HIS A 309 -16.068 9.465 -19.926 1.00 20.17 C ATOM 440 CE1 HIS A 309 -15.468 11.527 -19.520 1.00 18.56 C ATOM 441 NE2 HIS A 309 -15.527 10.604 -20.484 1.00 19.40 N ATOM 442 H HIS A 309 -17.378 7.595 -15.301 1.00 0.00 H ATOM 443 N VAL A 310 -13.671 9.149 -16.421 1.00 13.71 N ATOM 444 CA VAL A 310 -12.691 10.018 -15.759 1.00 14.21 C ATOM 445 C VAL A 310 -11.940 10.900 -16.741 1.00 17.26 C ATOM 446 O VAL A 310 -11.773 10.542 -17.913 1.00 18.24 O ATOM 447 CB VAL A 310 -11.677 9.224 -14.860 1.00 18.18 C ATOM 448 CG1 VAL A 310 -12.393 8.323 -13.853 1.00 18.85 C ATOM 449 CG2 VAL A 310 -10.666 8.418 -15.693 1.00 18.26 C ATOM 450 H VAL A 310 -13.377 8.561 -17.227 1.00 0.00 H ATOM 451 N GLN A 311 -11.418 12.013 -16.223 1.00 13.60 N ATOM 452 CA GLN A 311 -10.493 12.918 -16.884 1.00 13.72 C ATOM 453 C GLN A 311 -9.140 12.662 -16.224 1.00 18.45 C ATOM 454 O GLN A 311 -9.060 12.677 -14.993 1.00 16.80 O ATOM 455 CB GLN A 311 -10.840 14.385 -16.590 1.00 14.41 C ATOM 456 CG GLN A 311 -12.179 14.840 -17.154 1.00 16.03 C ATOM 457 CD GLN A 311 -12.411 16.329 -17.093 1.00 24.51 C ATOM 458 OE1 GLN A 311 -13.380 16.818 -17.650 1.00 18.81 O ATOM 459 NE2 GLN A 311 -11.513 17.101 -16.468 1.00 15.87 N ATOM 460 HE22 GLN A 311 -10.692 16.668 -15.998 1.00 0.00 H ATOM 461 HE21 GLN A 311 -11.636 18.134 -16.453 1.00 0.00 H ATOM 462 H GLN A 311 -11.700 12.257 -15.252 1.00 0.00 H ATOM 463 N PHE A 312 -8.080 12.481 -17.014 1.00 15.09 N ATOM 464 CA PHE A 312 -6.735 12.320 -16.451 1.00 15.57 C ATOM 465 C PHE A 312 -6.131 13.721 -16.262 1.00 18.25 C ATOM 466 O PHE A 312 -6.105 14.511 -17.218 1.00 18.58 O ATOM 467 CB PHE A 312 -5.814 11.535 -17.416 1.00 17.27 C ATOM 468 CG PHE A 312 -6.253 10.111 -17.645 1.00 18.42 C ATOM 469 CD1 PHE A 312 -5.823 9.092 -16.804 1.00 19.97 C ATOM 470 CD2 PHE A 312 -7.120 9.792 -18.685 1.00 20.39 C ATOM 471 CE1 PHE A 312 -6.254 7.780 -16.999 1.00 21.53 C ATOM 472 CE2 PHE A 312 -7.575 8.484 -18.862 1.00 23.90 C ATOM 473 CZ PHE A 312 -7.127 7.482 -18.033 1.00 22.04 C ATOM 474 H PHE A 312 -8.209 12.454 -18.046 1.00 0.00 H ATOM 475 N PHE A 313 -5.617 14.014 -15.044 1.00 16.06 N ATOM 476 CA PHE A 313 -4.884 15.256 -14.805 1.00 16.34 C ATOM 477 C PHE A 313 -3.540 15.072 -15.500 1.00 20.38 C ATOM 478 O PHE A 313 -2.839 14.077 -15.250 1.00 19.90 O ATOM 479 CB PHE A 313 -4.684 15.529 -13.300 1.00 17.91 C ATOM 480 CG PHE A 313 -5.915 15.988 -12.557 1.00 18.76 C ATOM 481 CD1 PHE A 313 -6.429 17.265 -12.750 1.00 20.87 C ATOM 482 CD2 PHE A 313 -6.555 15.146 -11.655 1.00 19.33 C ATOM 483 CE1 PHE A 313 -7.552 17.700 -12.037 1.00 21.87 C ATOM 484 CE2 PHE A 313 -7.678 15.581 -10.947 1.00 21.11 C ATOM 485 CZ PHE A 313 -8.170 16.855 -11.144 1.00 19.46 C ATOM 486 H PHE A 313 -5.746 13.341 -14.262 1.00 0.00 H ATOM 487 N SER A 314 -3.187 16.020 -16.390 1.00 17.65 N ATOM 488 CA SER A 314 -1.993 15.939 -17.225 1.00 19.57 C ATOM 489 C SER A 314 -1.839 17.222 -18.025 1.00 26.13 C ATOM 490 O SER A 314 -2.777 18.017 -18.102 1.00 25.74 O ATOM 491 CB SER A 314 -2.187 14.794 -18.222 1.00 20.30 C ATOM 492 OG SER A 314 -1.110 14.606 -19.120 1.00 22.77 O ATOM 493 HG SER A 314 -1.315 13.851 -19.726 1.00 0.00 H ATOM 494 H SER A 314 -3.799 16.855 -16.487 1.00 0.00 H ATOM 495 N ASN A 315 -0.695 17.378 -18.706 1.00 25.27 N ATOM 496 CA ASN A 315 -0.497 18.487 -19.645 1.00 26.54 C ATOM 497 C ASN A 315 -1.167 18.078 -20.982 1.00 30.61 C ATOM 498 O ASN A 315 -1.354 18.918 -21.860 1.00 31.51 O ATOM 499 CB ASN A 315 0.999 18.751 -19.860 1.00 28.76 C ATOM 500 CG ASN A 315 1.729 17.564 -20.440 1.00 45.58 C ATOM 501 OD1 ASN A 315 1.631 16.442 -19.946 1.00 37.56 O ATOM 502 ND2 ASN A 315 2.410 17.769 -21.544 1.00 42.84 N ATOM 503 HD22 ASN A 315 2.478 18.727 -21.942 1.00 0.00 H ATOM 504 HD21 ASN A 315 2.881 16.973 -22.020 1.00 0.00 H ATOM 505 H ASN A 315 0.074 16.693 -18.564 1.00 0.00 H ATOM 506 N GLN A 316 -1.499 16.769 -21.130 1.00 25.55 N ATOM 507 CA GLN A 316 -2.142 16.194 -22.311 1.00 25.54 C ATOM 508 C GLN A 316 -3.548 15.704 -21.880 1.00 27.75 C ATOM 509 O GLN A 316 -3.696 14.574 -21.417 1.00 25.52 O ATOM 510 CB GLN A 316 -1.274 15.056 -22.882 1.00 27.72 C ATOM 511 CG GLN A 316 -1.847 14.329 -24.105 1.00 40.70 C ATOM 512 CD GLN A 316 -1.142 13.015 -24.351 1.00 65.09 C ATOM 513 OE1 GLN A 316 0.088 12.901 -24.243 1.00 66.23 O ATOM 514 NE2 GLN A 316 -1.901 11.993 -24.711 1.00 51.30 N ATOM 515 HE22 GLN A 316 -2.931 12.114 -24.795 1.00 0.00 H ATOM 516 HE21 GLN A 316 -1.468 11.069 -24.910 1.00 0.00 H ATOM 517 H GLN A 316 -1.279 16.126 -20.343 1.00 0.00 H ATOM 518 N PRO A 317 -4.588 16.559 -21.991 1.00 25.29 N ATOM 519 CA PRO A 317 -5.929 16.143 -21.525 1.00 23.87 C ATOM 520 C PRO A 317 -6.504 14.942 -22.279 1.00 24.74 C ATOM 521 O PRO A 317 -6.420 14.876 -23.497 1.00 25.00 O ATOM 522 CB PRO A 317 -6.777 17.407 -21.678 1.00 26.55 C ATOM 523 CG PRO A 317 -6.035 18.276 -22.629 1.00 32.87 C ATOM 524 CD PRO A 317 -4.583 17.964 -22.454 1.00 28.72 C ATOM 525 N GLU A 318 -7.011 13.950 -21.532 1.00 18.62 N ATOM 526 CA GLU A 318 -7.584 12.716 -22.088 1.00 17.59 C ATOM 527 C GLU A 318 -8.653 12.249 -21.127 1.00 19.62 C ATOM 528 O GLU A 318 -8.637 12.619 -19.947 1.00 18.18 O ATOM 529 CB GLU A 318 -6.528 11.585 -22.223 1.00 18.80 C ATOM 530 CG GLU A 318 -5.358 11.854 -23.166 1.00 29.94 C ATOM 531 CD GLU A 318 -5.598 11.853 -24.671 1.00 47.56 C ATOM 532 OE1 GLU A 318 -6.767 11.901 -25.118 1.00 36.05 O ATOM 533 OE2 GLU A 318 -4.591 11.809 -25.411 1.00 39.81 O ATOM 534 H GLU A 318 -6.998 14.061 -20.498 1.00 0.00 H ATOM 535 N ARG A 319 -9.550 11.410 -21.623 1.00 16.36 N ATOM 536 CA ARG A 319 -10.656 10.866 -20.843 1.00 16.13 C ATOM 537 C ARG A 319 -10.761 9.380 -21.141 1.00 20.33 C ATOM 538 O ARG A 319 -10.244 8.924 -22.166 1.00 19.88 O ATOM 539 CB ARG A 319 -11.992 11.595 -21.179 1.00 16.50 C ATOM 540 CG ARG A 319 -12.213 11.777 -22.700 1.00 25.62 C ATOM 541 CD ARG A 319 -13.619 11.546 -23.187 1.00 41.23 C ATOM 542 NE ARG A 319 -13.961 10.130 -23.117 1.00 52.84 N ATOM 543 CZ ARG A 319 -15.114 9.609 -23.513 1.00 63.02 C ATOM 544 NH1 ARG A 319 -15.339 8.310 -23.382 1.00 42.81 N ATOM 545 NH2 ARG A 319 -16.059 10.385 -24.027 1.00 59.00 N ATOM 546 HE ARG A 319 -13.248 9.481 -22.728 1.00 0.00 H ATOM 547 HH12 ARG A 319 -16.245 7.905 -23.694 1.00 0.00 H ATOM 548 HH11 ARG A 319 -14.610 7.695 -22.967 1.00 0.00 H ATOM 549 HH22 ARG A 319 -16.961 9.970 -24.336 1.00 0.00 H ATOM 550 HH21 ARG A 319 -15.898 11.408 -24.121 1.00 0.00 H ATOM 551 H ARG A 319 -9.461 11.125 -22.619 1.00 0.00 H ATOM 552 N ALA A 320 -11.409 8.626 -20.247 1.00 18.08 N ATOM 553 CA ALA A 320 -11.632 7.191 -20.446 1.00 18.92 C ATOM 554 C ALA A 320 -12.708 6.663 -19.532 1.00 20.42 C ATOM 555 O ALA A 320 -12.964 7.232 -18.477 1.00 19.70 O ATOM 556 CB ALA A 320 -10.339 6.392 -20.214 1.00 19.89 C ATOM 557 H ALA A 320 -11.768 9.074 -19.379 1.00 0.00 H ATOM 558 N TRP A 321 -13.331 5.558 -19.951 1.00 17.46 N ATOM 559 CA TRP A 321 -14.243 4.773 -19.144 1.00 18.28 C ATOM 560 C TRP A 321 -13.341 3.754 -18.465 1.00 21.39 C ATOM 561 O TRP A 321 -12.551 3.090 -19.145 1.00 19.86 O ATOM 562 CB TRP A 321 -15.283 4.065 -20.025 1.00 18.48 C ATOM 563 CG TRP A 321 -16.409 4.980 -20.394 1.00 20.19 C ATOM 564 CD1 TRP A 321 -16.584 5.641 -21.577 1.00 23.33 C ATOM 565 CD2 TRP A 321 -17.479 5.399 -19.534 1.00 19.91 C ATOM 566 NE1 TRP A 321 -17.731 6.405 -21.525 1.00 22.76 N ATOM 567 CE2 TRP A 321 -18.306 6.262 -20.285 1.00 23.65 C ATOM 568 CE3 TRP A 321 -17.851 5.079 -18.217 1.00 21.04 C ATOM 569 CZ2 TRP A 321 -19.465 6.832 -19.751 1.00 23.08 C ATOM 570 CZ3 TRP A 321 -19.000 5.650 -17.690 1.00 22.23 C ATOM 571 CH2 TRP A 321 -19.786 6.521 -18.447 1.00 22.87 C ATOM 572 HE1 TRP A 321 -18.101 6.994 -22.299 1.00 0.00 H ATOM 573 H TRP A 321 -13.149 5.239 -20.924 1.00 0.00 H ATOM 574 N VAL A 322 -13.427 3.654 -17.128 1.00 18.07 N ATOM 575 CA VAL A 322 -12.561 2.774 -16.332 1.00 18.07 C ATOM 576 C VAL A 322 -13.392 1.857 -15.455 1.00 21.78 C ATOM 577 O VAL A 322 -14.304 2.334 -14.774 1.00 20.13 O ATOM 578 CB VAL A 322 -11.572 3.621 -15.468 1.00 20.95 C ATOM 579 CG1 VAL A 322 -10.552 2.736 -14.758 1.00 21.56 C ATOM 580 CG2 VAL A 322 -10.851 4.670 -16.319 1.00 19.95 C ATOM 581 H VAL A 322 -14.140 4.227 -16.633 1.00 0.00 H ATOM 582 N HIS A 323 -13.053 0.543 -15.450 1.00 20.23 N ATOM 583 CA HIS A 323 -13.701 -0.478 -14.616 1.00 21.21 C ATOM 584 C HIS A 323 -13.545 -0.055 -13.152 1.00 24.45 C ATOM 585 O HIS A 323 -12.453 0.364 -12.762 1.00 22.58 O ATOM 586 CB HIS A 323 -13.032 -1.857 -14.852 1.00 22.50 C ATOM 587 CG HIS A 323 -13.781 -3.035 -14.304 1.00 28.10 C ATOM 588 ND1 HIS A 323 -13.957 -3.216 -12.943 1.00 30.64 N ATOM 589 CD2 HIS A 323 -14.330 -4.090 -14.954 1.00 31.62 C ATOM 590 CE1 HIS A 323 -14.623 -4.352 -12.812 1.00 31.77 C ATOM 591 NE2 HIS A 323 -14.864 -4.914 -13.994 1.00 32.72 N ATOM 592 H HIS A 323 -12.283 0.238 -16.079 1.00 0.00 H ATOM 593 N GLU A 324 -14.639 -0.116 -12.363 1.00 23.32 N ATOM 594 CA GLU A 324 -14.673 0.259 -10.933 1.00 23.78 C ATOM 595 C GLU A 324 -13.540 -0.348 -10.084 1.00 29.11 C ATOM 596 O GLU A 324 -13.091 0.297 -9.143 1.00 29.82 O ATOM 597 CB GLU A 324 -16.045 -0.045 -10.294 1.00 26.70 C ATOM 598 CG GLU A 324 -16.460 -1.512 -10.292 1.00 35.17 C ATOM 599 CD GLU A 324 -17.771 -1.841 -9.598 1.00 57.75 C ATOM 600 OE1 GLU A 324 -18.154 -3.033 -9.610 1.00 53.26 O ATOM 601 OE2 GLU A 324 -18.424 -0.918 -9.057 1.00 45.60 O ATOM 602 H GLU A 324 -15.524 -0.452 -12.793 1.00 0.00 H ATOM 603 N LYS A 325 -13.068 -1.567 -10.428 1.00 26.34 N ATOM 604 CA LYS A 325 -11.973 -2.256 -9.726 1.00 26.93 C ATOM 605 C LYS A 325 -10.610 -1.554 -9.946 1.00 30.37 C ATOM 606 O LYS A 325 -9.655 -1.841 -9.222 1.00 31.15 O ATOM 607 CB LYS A 325 -11.881 -3.713 -10.195 1.00 31.03 C ATOM 608 CG LYS A 325 -12.911 -4.632 -9.554 1.00 46.22 C ATOM 609 CD LYS A 325 -12.596 -6.094 -9.843 1.00 60.10 C ATOM 610 CE LYS A 325 -13.622 -7.024 -9.243 1.00 75.73 C ATOM 611 NZ LYS A 325 -13.239 -8.449 -9.422 1.00 88.74 N ATOM 612 HZ1 LYS A 325 -13.157 -8.660 -10.437 1.00 0.00 H ATOM 613 HZ2 LYS A 325 -12.325 -8.622 -8.956 1.00 0.00 H ATOM 614 HZ3 LYS A 325 -13.967 -9.058 -8.998 1.00 0.00 H ATOM 615 H LYS A 325 -13.506 -2.048 -11.239 1.00 0.00 H ATOM 616 N ARG A 326 -10.515 -0.683 -10.975 1.00 24.66 N ATOM 617 CA ARG A 326 -9.302 0.065 -11.340 1.00 22.76 C ATOM 618 C ARG A 326 -9.406 1.545 -10.939 1.00 25.26 C ATOM 619 O ARG A 326 -8.612 2.369 -11.383 1.00 23.64 O ATOM 620 CB ARG A 326 -9.032 -0.075 -12.846 1.00 23.40 C ATOM 621 CG ARG A 326 -8.639 -1.493 -13.265 1.00 37.32 C ATOM 622 CD ARG A 326 -8.982 -1.755 -14.717 1.00 50.28 C ATOM 623 NE ARG A 326 -7.897 -1.358 -15.613 1.00 62.05 N ATOM 624 CZ ARG A 326 -6.946 -2.178 -16.048 1.00 73.81 C ATOM 625 NH1 ARG A 326 -5.989 -1.727 -16.847 1.00 56.26 N ATOM 626 NH2 ARG A 326 -6.946 -3.457 -15.691 1.00 62.77 N ATOM 627 HE ARG A 326 -7.868 -0.368 -15.931 1.00 0.00 H ATOM 628 HH12 ARG A 326 -5.247 -2.372 -17.185 1.00 0.00 H ATOM 629 HH11 ARG A 326 -5.981 -0.728 -17.136 1.00 0.00 H ATOM 630 HH22 ARG A 326 -6.199 -4.093 -16.035 1.00 0.00 H ATOM 631 HH21 ARG A 326 -7.693 -3.823 -15.067 1.00 0.00 H ATOM 632 H ARG A 326 -11.365 -0.530 -11.554 1.00 0.00 H ATOM 633 N VAL A 327 -10.390 1.877 -10.097 1.00 22.41 N ATOM 634 CA VAL A 327 -10.628 3.242 -9.609 1.00 21.51 C ATOM 635 C VAL A 327 -10.551 3.228 -8.071 1.00 25.85 C ATOM 636 O VAL A 327 -11.136 2.347 -7.437 1.00 26.41 O ATOM 637 CB VAL A 327 -12.002 3.784 -10.121 1.00 25.22 C ATOM 638 CG1 VAL A 327 -12.257 5.212 -9.650 1.00 24.90 C ATOM 639 CG2 VAL A 327 -12.095 3.716 -11.647 1.00 24.47 C ATOM 640 H VAL A 327 -11.026 1.123 -9.767 1.00 0.00 H ATOM 641 N ARG A 328 -9.827 4.203 -7.475 1.00 22.59 N ATOM 642 CA ARG A 328 -9.697 4.342 -6.013 1.00 22.45 C ATOM 643 C ARG A 328 -9.889 5.806 -5.622 1.00 23.84 C ATOM 644 O ARG A 328 -9.482 6.678 -6.372 1.00 22.69 O ATOM 645 CB ARG A 328 -8.301 3.883 -5.514 1.00 23.02 C ATOM 646 CG ARG A 328 -7.909 2.437 -5.807 1.00 26.28 C ATOM 647 CD ARG A 328 -8.577 1.411 -4.883 1.00 34.52 C ATOM 648 NE ARG A 328 -8.090 0.062 -5.171 1.00 38.47 N ATOM 649 CZ ARG A 328 -8.547 -0.706 -6.159 1.00 55.07 C ATOM 650 NH1 ARG A 328 -8.027 -1.909 -6.366 1.00 41.45 N ATOM 651 NH2 ARG A 328 -9.524 -0.275 -6.948 1.00 42.16 N ATOM 652 HE ARG A 328 -7.338 -0.323 -4.565 1.00 0.00 H ATOM 653 HH12 ARG A 328 -8.387 -2.505 -7.138 1.00 0.00 H ATOM 654 HH11 ARG A 328 -7.260 -2.256 -5.756 1.00 0.00 H ATOM 655 HH22 ARG A 328 -9.876 -0.880 -7.717 1.00 0.00 H ATOM 656 HH21 ARG A 328 -9.937 0.667 -6.797 1.00 0.00 H ATOM 657 H ARG A 328 -9.336 4.891 -8.080 1.00 0.00 H ATOM 658 N GLU A 329 -10.431 6.083 -4.435 1.00 21.63 N ATOM 659 CA GLU A 329 -10.580 7.461 -3.958 1.00 21.39 C ATOM 660 C GLU A 329 -9.174 8.110 -3.824 1.00 24.18 C ATOM 661 O GLU A 329 -8.247 7.454 -3.333 1.00 24.92 O ATOM 662 CB GLU A 329 -11.306 7.472 -2.598 1.00 24.64 C ATOM 663 CG GLU A 329 -11.564 8.872 -2.053 1.00 36.79 C ATOM 664 CD GLU A 329 -12.096 8.953 -0.634 1.00 61.16 C ATOM 665 OE1 GLU A 329 -11.676 9.876 0.099 1.00 51.35 O ATOM 666 OE2 GLU A 329 -12.948 8.114 -0.260 1.00 60.14 O ATOM 667 H GLU A 329 -10.756 5.301 -3.832 1.00 0.00 H ATOM 668 N TYR A 330 -9.006 9.354 -4.314 1.00 19.18 N ATOM 669 CA TYR A 330 -7.740 10.069 -4.217 1.00 18.80 C ATOM 670 C TYR A 330 -7.750 10.871 -2.897 1.00 25.23 C ATOM 671 O TYR A 330 -8.477 11.861 -2.776 1.00 25.01 O ATOM 672 CB TYR A 330 -7.527 10.990 -5.437 1.00 18.49 C ATOM 673 CG TYR A 330 -6.189 11.700 -5.461 1.00 19.37 C ATOM 674 CD1 TYR A 330 -5.999 12.899 -4.773 1.00 22.10 C ATOM 675 CD2 TYR A 330 -5.146 11.234 -6.256 1.00 19.66 C ATOM 676 CE1 TYR A 330 -4.768 13.559 -4.792 1.00 21.69 C ATOM 677 CE2 TYR A 330 -3.919 11.899 -6.303 1.00 20.37 C ATOM 678 CZ TYR A 330 -3.739 13.067 -5.577 1.00 25.14 C ATOM 679 OH TYR A 330 -2.526 13.716 -5.624 1.00 21.54 O ATOM 680 HH TYR A 330 -2.564 14.525 -5.055 1.00 0.00 H ATOM 681 H TYR A 330 -9.810 9.821 -4.779 1.00 0.00 H ATOM 682 N LYS A 331 -6.964 10.426 -1.914 1.00 23.15 N ATOM 683 CA LYS A 331 -6.863 11.092 -0.607 1.00 24.88 C ATOM 684 C LYS A 331 -5.649 12.030 -0.554 1.00 29.64 C ATOM 685 O LYS A 331 -5.607 12.943 0.268 1.00 31.30 O ATOM 686 CB LYS A 331 -6.791 10.060 0.530 1.00 28.25 C ATOM 687 CG LYS A 331 -8.062 9.244 0.700 1.00 46.42 C ATOM 688 CD LYS A 331 -7.829 8.033 1.590 1.00 61.73 C ATOM 689 CE LYS A 331 -9.114 7.323 1.930 1.00 74.83 C ATOM 690 NZ LYS A 331 -8.884 6.224 2.904 1.00 87.88 N ATOM 691 HZ1 LYS A 331 -8.222 5.533 2.496 1.00 0.00 H ATOM 692 HZ2 LYS A 331 -8.481 6.616 3.779 1.00 0.00 H ATOM 693 HZ3 LYS A 331 -9.788 5.756 3.117 1.00 0.00 H ATOM 694 H LYS A 331 -6.398 9.570 -2.080 1.00 0.00 H ATOM 695 N GLY A 332 -4.684 11.787 -1.432 1.00 24.76 N ATOM 696 CA GLY A 332 -3.450 12.558 -1.521 1.00 24.38 C ATOM 697 C GLY A 332 -2.388 11.824 -2.303 1.00 26.52 C ATOM 698 O GLY A 332 -2.459 10.598 -2.435 1.00 25.43 O ATOM 699 H GLY A 332 -4.816 10.998 -2.097 1.00 0.00 H ATOM 700 N HIS A 333 -1.378 12.563 -2.812 1.00 23.08 N ATOM 701 CA HIS A 333 -0.286 11.990 -3.608 1.00 22.26 C ATOM 702 C HIS A 333 0.529 10.915 -2.872 1.00 26.12 C ATOM 703 O HIS A 333 0.974 9.969 -3.520 1.00 24.90 O ATOM 704 CB HIS A 333 0.635 13.080 -4.186 1.00 23.38 C ATOM 705 CG HIS A 333 1.565 13.721 -3.196 1.00 28.12 C ATOM 706 ND1 HIS A 333 1.127 14.695 -2.312 1.00 30.55 N ATOM 707 CD2 HIS A 333 2.885 13.509 -2.994 1.00 30.81 C ATOM 708 CE1 HIS A 333 2.193 15.050 -1.615 1.00 31.50 C ATOM 709 NE2 HIS A 333 3.272 14.358 -1.984 1.00 32.31 N ATOM 710 H HIS A 333 -1.374 13.587 -2.631 1.00 0.00 H ATOM 711 N LYS A 334 0.689 11.028 -1.525 1.00 23.87 N ATOM 712 CA LYS A 334 1.450 10.040 -0.736 1.00 25.22 C ATOM 713 C LYS A 334 0.788 8.652 -0.673 1.00 29.04 C ATOM 714 O LYS A 334 1.455 7.667 -0.344 1.00 29.33 O ATOM 715 CB LYS A 334 1.765 10.574 0.669 1.00 29.19 C ATOM 716 CG LYS A 334 2.910 11.567 0.656 1.00 40.55 C ATOM 717 CD LYS A 334 2.956 12.386 1.941 1.00 55.82 C ATOM 718 CE LYS A 334 4.162 13.290 2.002 1.00 69.68 C ATOM 719 NZ LYS A 334 4.116 14.380 0.985 1.00 77.53 N ATOM 720 HZ1 LYS A 334 4.077 13.963 0.033 1.00 0.00 H ATOM 721 HZ2 LYS A 334 3.270 14.965 1.143 1.00 0.00 H ATOM 722 HZ3 LYS A 334 4.968 14.970 1.072 1.00 0.00 H ATOM 723 H LYS A 334 0.260 11.839 -1.035 1.00 0.00 H ATOM 724 N GLN A 335 -0.494 8.565 -1.063 1.00 25.13 N ATOM 725 CA GLN A 335 -1.266 7.313 -1.137 1.00 25.63 C ATOM 726 C GLN A 335 -0.711 6.365 -2.225 1.00 27.62 C ATOM 727 O GLN A 335 -1.021 5.174 -2.199 1.00 26.12 O ATOM 728 CB GLN A 335 -2.734 7.673 -1.411 1.00 26.19 C ATOM 729 CG GLN A 335 -3.758 6.549 -1.425 1.00 32.34 C ATOM 730 CD GLN A 335 -5.097 7.041 -1.934 1.00 40.88 C ATOM 731 OE1 GLN A 335 -5.280 8.221 -2.283 1.00 26.10 O ATOM 732 NE2 GLN A 335 -6.058 6.136 -2.019 1.00 39.30 N ATOM 733 HE22 GLN A 335 -5.878 5.156 -1.720 1.00 0.00 H ATOM 734 HE21 GLN A 335 -6.994 6.404 -2.385 1.00 0.00 H ATOM 735 H GLN A 335 -0.977 9.446 -1.332 1.00 0.00 H ATOM 736 N TYR A 336 0.119 6.882 -3.163 1.00 25.00 N ATOM 737 CA TYR A 336 0.700 6.087 -4.259 1.00 25.21 C ATOM 738 C TYR A 336 1.383 4.794 -3.755 1.00 30.84 C ATOM 739 O TYR A 336 1.154 3.730 -4.328 1.00 29.60 O ATOM 740 CB TYR A 336 1.638 6.943 -5.147 1.00 26.48 C ATOM 741 CG TYR A 336 2.100 6.218 -6.398 1.00 27.37 C ATOM 742 CD1 TYR A 336 1.262 6.092 -7.504 1.00 27.52 C ATOM 743 CD2 TYR A 336 3.364 5.633 -6.464 1.00 29.35 C ATOM 744 CE1 TYR A 336 1.669 5.402 -8.644 1.00 27.34 C ATOM 745 CE2 TYR A 336 3.791 4.962 -7.610 1.00 30.35 C ATOM 746 CZ TYR A 336 2.930 4.833 -8.691 1.00 34.90 C ATOM 747 OH TYR A 336 3.321 4.161 -9.823 1.00 32.79 O ATOM 748 HH TYR A 336 2.583 4.171 -10.483 1.00 0.00 H ATOM 749 H TYR A 336 0.358 7.892 -3.106 1.00 0.00 H ATOM 750 N GLU A 337 2.149 4.882 -2.648 1.00 31.06 N ATOM 751 CA GLU A 337 2.839 3.743 -2.008 1.00 33.64 C ATOM 752 C GLU A 337 1.863 2.617 -1.640 1.00 38.21 C ATOM 753 O GLU A 337 2.169 1.439 -1.844 1.00 38.37 O ATOM 754 CB GLU A 337 3.536 4.204 -0.721 1.00 36.90 C ATOM 755 CG GLU A 337 4.934 4.758 -0.906 1.00 51.51 C ATOM 756 CD GLU A 337 5.568 5.275 0.374 1.00 70.95 C ATOM 757 OE1 GLU A 337 5.276 4.722 1.461 1.00 47.90 O ATOM 758 OE2 GLU A 337 6.361 6.240 0.286 1.00 69.23 O ATOM 759 H GLU A 337 2.262 5.820 -2.213 1.00 0.00 H ATOM 760 N GLU A 338 0.694 2.998 -1.094 1.00 34.66 N ATOM 761 CA GLU A 338 -0.379 2.097 -0.669 1.00 35.68 C ATOM 762 C GLU A 338 -0.994 1.386 -1.865 1.00 38.61 C ATOM 763 O GLU A 338 -1.366 0.219 -1.755 1.00 40.92 O ATOM 764 CB GLU A 338 -1.457 2.869 0.108 1.00 37.05 C ATOM 765 CG GLU A 338 -0.974 3.406 1.445 1.00 50.71 C ATOM 766 CD GLU A 338 -1.676 4.652 1.955 1.00 75.44 C ATOM 767 OE1 GLU A 338 -1.023 5.434 2.684 1.00 77.22 O ATOM 768 OE2 GLU A 338 -2.871 4.850 1.634 1.00 67.07 O ATOM 769 H GLU A 338 0.539 4.018 -0.963 1.00 0.00 H ATOM 770 N LEU A 339 -1.085 2.080 -3.011 1.00 31.24 N ATOM 771 CA LEU A 339 -1.619 1.478 -4.229 1.00 29.77 C ATOM 772 C LEU A 339 -0.641 0.447 -4.778 1.00 34.99 C ATOM 773 O LEU A 339 -1.078 -0.608 -5.229 1.00 34.32 O ATOM 774 CB LEU A 339 -1.955 2.542 -5.281 1.00 27.56 C ATOM 775 CG LEU A 339 -2.984 3.586 -4.863 1.00 30.82 C ATOM 776 CD1 LEU A 339 -3.112 4.638 -5.914 1.00 29.58 C ATOM 777 CD2 LEU A 339 -4.347 2.950 -4.576 1.00 33.00 C ATOM 778 H LEU A 339 -0.767 3.070 -3.031 1.00 0.00 H ATOM 779 N LEU A 340 0.679 0.728 -4.694 1.00 34.55 N ATOM 780 CA LEU A 340 1.730 -0.214 -5.120 1.00 36.45 C ATOM 781 C LEU A 340 1.731 -1.448 -4.227 1.00 41.07 C ATOM 782 O LEU A 340 1.976 -2.547 -4.720 1.00 41.15 O ATOM 783 CB LEU A 340 3.131 0.425 -5.089 1.00 37.54 C ATOM 784 CG LEU A 340 3.472 1.466 -6.163 1.00 41.46 C ATOM 785 CD1 LEU A 340 4.907 1.917 -6.014 1.00 42.74 C ATOM 786 CD2 LEU A 340 3.235 0.933 -7.580 1.00 42.40 C ATOM 787 H LEU A 340 0.966 1.651 -4.311 1.00 0.00 H ATOM 788 N ALA A 341 1.426 -1.261 -2.919 1.00 37.63 N ATOM 789 CA ALA A 341 1.351 -2.330 -1.916 1.00 38.96 C ATOM 790 C ALA A 341 0.255 -3.350 -2.237 1.00 42.35 C ATOM 791 O ALA A 341 0.405 -4.524 -1.889 1.00 43.98 O ATOM 792 CB ALA A 341 1.125 -1.739 -0.530 1.00 40.39 C ATOM 793 H ALA A 341 1.231 -0.289 -2.604 1.00 0.00 H ATOM 794 N GLU A 342 -0.836 -2.901 -2.907 1.00 36.91 N ATOM 795 CA GLU A 342 -1.973 -3.729 -3.327 1.00 56.84 C ATOM 796 C GLU A 342 -1.517 -4.820 -4.293 1.00 83.78 C ATOM 797 O GLU A 342 -1.996 -5.945 -4.212 1.00 55.20 O ATOM 798 CB GLU A 342 -3.059 -2.875 -4.006 1.00 56.18 C ATOM 799 CG GLU A 342 -3.832 -1.949 -3.079 1.00 62.97 C ATOM 800 CD GLU A 342 -5.007 -1.218 -3.709 1.00 74.56 C ATOM 801 OE1 GLU A 342 -5.502 -1.664 -4.770 1.00 56.51 O ATOM 802 OE2 GLU A 342 -5.456 -0.210 -3.117 1.00 68.97 O ATOM 803 H GLU A 342 -0.869 -1.888 -3.142 1.00 0.00 H TER 804 GLU A 342 ATOM 805 N GLN A 354 12.935 -10.223 -1.261 1.00 62.98 N ATOM 806 CA GLN A 354 13.176 -8.861 -1.734 1.00 60.25 C ATOM 807 C GLN A 354 11.919 -8.206 -2.245 1.00 60.91 C ATOM 808 O GLN A 354 11.072 -8.873 -2.848 1.00 60.36 O ATOM 809 CB GLN A 354 14.207 -8.842 -2.874 1.00 61.68 C ATOM 810 CG GLN A 354 15.652 -9.088 -2.461 1.00 69.96 C ATOM 811 CD GLN A 354 16.605 -8.825 -3.605 1.00 78.91 C ATOM 812 OE1 GLN A 354 17.484 -7.961 -3.523 1.00 72.04 O ATOM 813 NE2 GLN A 354 16.445 -9.550 -4.711 1.00 65.50 N ATOM 814 HE22 GLN A 354 15.698 -10.272 -4.756 1.00 0.00 H ATOM 815 HE21 GLN A 354 17.067 -9.394 -5.529 1.00 0.00 H ATOM 816 HN3 GLN A 354 12.564 -10.800 -2.043 1.00 0.00 H ATOM 817 HN2 GLN A 354 12.242 -10.202 -0.485 1.00 0.00 H ATOM 818 HN1 GLN A 354 13.828 -10.633 -0.919 1.00 0.00 H ATOM 819 N LYS A 355 11.822 -6.882 -2.059 1.00 55.14 N ATOM 820 CA LYS A 355 10.722 -6.084 -2.589 1.00 51.76 C ATOM 821 C LYS A 355 11.043 -5.814 -4.055 1.00 52.23 C ATOM 822 O LYS A 355 12.206 -5.571 -4.395 1.00 52.02 O ATOM 823 CB LYS A 355 10.564 -4.762 -1.819 1.00 53.70 C ATOM 824 CG LYS A 355 9.761 -4.906 -0.530 1.00 72.72 C ATOM 825 CD LYS A 355 9.197 -3.564 -0.018 1.00 81.26 C ATOM 826 CE LYS A 355 10.139 -2.785 0.879 1.00 90.30 C ATOM 827 NZ LYS A 355 10.478 -3.524 2.127 1.00100.20 N ATOM 828 HZ1 LYS A 355 9.607 -3.714 2.663 1.00 0.00 H ATOM 829 HZ2 LYS A 355 10.939 -4.424 1.882 1.00 0.00 H ATOM 830 HZ3 LYS A 355 11.124 -2.949 2.705 1.00 0.00 H ATOM 831 H LYS A 355 12.565 -6.402 -1.512 1.00 0.00 H ATOM 832 N ILE A 356 10.030 -5.911 -4.921 1.00 46.10 N ATOM 833 CA ILE A 356 10.185 -5.712 -6.359 1.00 44.59 C ATOM 834 C ILE A 356 9.413 -4.474 -6.809 1.00 45.86 C ATOM 835 O ILE A 356 8.199 -4.378 -6.599 1.00 44.76 O ATOM 836 CB ILE A 356 9.806 -6.984 -7.180 1.00 47.89 C ATOM 837 CG1 ILE A 356 10.604 -8.233 -6.736 1.00 50.72 C ATOM 838 CG2 ILE A 356 9.979 -6.728 -8.671 1.00 47.78 C ATOM 839 CD1 ILE A 356 10.020 -9.608 -7.194 1.00 54.59 C ATOM 840 H ILE A 356 9.085 -6.139 -4.553 1.00 0.00 H ATOM 841 N ARG A 357 10.118 -3.538 -7.449 1.00 40.54 N ATOM 842 CA ARG A 357 9.504 -2.317 -7.945 1.00 37.58 C ATOM 843 C ARG A 357 9.809 -2.072 -9.408 1.00 37.89 C ATOM 844 O ARG A 357 10.935 -2.293 -9.865 1.00 37.84 O ATOM 845 CB ARG A 357 9.898 -1.098 -7.090 1.00 40.58 C ATOM 846 CG ARG A 357 9.046 -0.939 -5.833 1.00 58.82 C ATOM 847 CD ARG A 357 9.438 0.294 -5.043 1.00 80.59 C ATOM 848 NE ARG A 357 9.275 0.097 -3.599 1.00 97.42 N ATOM 849 CZ ARG A 357 9.678 0.960 -2.670 1.00114.31 C ATOM 850 NH1 ARG A 357 10.274 2.095 -3.020 1.00101.21 N ATOM 851 NH2 ARG A 357 9.491 0.694 -1.384 1.00102.36 N ATOM 852 HE ARG A 357 8.812 -0.778 -3.279 1.00 0.00 H ATOM 853 HH12 ARG A 357 10.587 2.765 -2.289 1.00 0.00 H ATOM 854 HH11 ARG A 357 10.428 2.313 -4.025 1.00 0.00 H ATOM 855 HH22 ARG A 357 9.808 1.372 -0.661 1.00 0.00 H ATOM 856 HH21 ARG A 357 9.028 -0.192 -1.098 1.00 0.00 H ATOM 857 H ARG A 357 11.137 -3.687 -7.597 1.00 0.00 H ATOM 858 N LYS A 358 8.794 -1.621 -10.137 1.00 31.77 N ATOM 859 CA LYS A 358 8.899 -1.261 -11.544 1.00 31.40 C ATOM 860 C LYS A 358 9.660 0.058 -11.638 1.00 37.42 C ATOM 861 O LYS A 358 9.412 0.937 -10.805 1.00 37.19 O ATOM 862 CB LYS A 358 7.505 -1.065 -12.156 1.00 31.09 C ATOM 863 CG LYS A 358 6.749 -2.351 -12.395 1.00 30.78 C ATOM 864 CD LYS A 358 5.438 -2.037 -13.060 1.00 34.99 C ATOM 865 CE LYS A 358 4.706 -3.294 -13.433 1.00 35.97 C ATOM 866 NZ LYS A 358 3.446 -2.984 -14.155 1.00 33.63 N ATOM 867 HZ1 LYS A 358 2.831 -2.409 -13.545 1.00 0.00 H ATOM 868 HZ2 LYS A 358 3.666 -2.456 -15.024 1.00 0.00 H ATOM 869 HZ3 LYS A 358 2.961 -3.871 -14.400 1.00 0.00 H ATOM 870 H LYS A 358 7.868 -1.519 -9.675 1.00 0.00 H ATOM 871 N PRO A 359 10.565 0.253 -12.626 1.00 35.62 N ATOM 872 CA PRO A 359 11.224 1.564 -12.746 1.00 36.90 C ATOM 873 C PRO A 359 10.242 2.610 -13.272 1.00 43.37 C ATOM 874 O PRO A 359 9.196 2.265 -13.839 1.00 41.84 O ATOM 875 CB PRO A 359 12.363 1.305 -13.732 1.00 39.74 C ATOM 876 CG PRO A 359 11.900 0.187 -14.545 1.00 43.26 C ATOM 877 CD PRO A 359 10.986 -0.657 -13.707 1.00 38.02 C ATOM 878 N ARG A 360 10.575 3.882 -13.075 1.00 43.46 N ATOM 879 CA ARG A 360 9.739 4.989 -13.509 1.00 43.25 C ATOM 880 C ARG A 360 10.353 5.716 -14.722 1.00 49.77 C ATOM 881 O ARG A 360 11.354 6.422 -14.555 1.00 50.70 O ATOM 882 CB ARG A 360 9.466 5.948 -12.334 1.00 44.88 C ATOM 883 CG ARG A 360 8.530 5.386 -11.266 1.00 56.85 C ATOM 884 CD ARG A 360 7.074 5.626 -11.616 1.00 70.98 C ATOM 885 NE ARG A 360 6.388 6.387 -10.572 1.00 79.26 N ATOM 886 CZ ARG A 360 5.436 7.286 -10.798 1.00 86.52 C ATOM 887 NH1 ARG A 360 4.870 7.926 -9.787 1.00 68.29 N ATOM 888 NH2 ARG A 360 5.048 7.556 -12.039 1.00 71.38 N ATOM 889 HE ARG A 360 6.664 6.212 -9.585 1.00 0.00 H ATOM 890 HH12 ARG A 360 4.125 8.629 -9.968 1.00 0.00 H ATOM 891 HH11 ARG A 360 5.170 7.726 -8.812 1.00 0.00 H ATOM 892 HH22 ARG A 360 4.302 8.261 -12.209 1.00 0.00 H ATOM 893 HH21 ARG A 360 5.490 7.063 -12.841 1.00 0.00 H ATOM 894 H ARG A 360 11.471 4.094 -12.590 1.00 0.00 H ATOM 895 N PRO A 361 9.784 5.533 -15.948 1.00 46.80 N ATOM 896 CA PRO A 361 10.332 6.231 -17.130 1.00 47.84 C ATOM 897 C PRO A 361 10.168 7.751 -17.041 1.00 51.40 C ATOM 898 O PRO A 361 9.071 8.242 -16.763 1.00 49.65 O ATOM 899 CB PRO A 361 9.553 5.627 -18.307 1.00 49.17 C ATOM 900 CG PRO A 361 8.310 5.098 -17.719 1.00 51.77 C ATOM 901 CD PRO A 361 8.609 4.707 -16.302 1.00 47.22 C ATOM 902 N GLN A 362 11.278 8.481 -17.260 1.00 49.34 N ATOM 903 CA GLN A 362 11.427 9.942 -17.179 1.00 49.22 C ATOM 904 C GLN A 362 10.259 10.774 -17.742 1.00 50.35 C ATOM 905 O GLN A 362 9.700 11.590 -17.002 1.00 48.95 O ATOM 906 CB GLN A 362 12.748 10.382 -17.833 1.00 53.04 C ATOM 907 CG GLN A 362 13.846 10.747 -16.831 1.00 78.15 C ATOM 908 CD GLN A 362 14.375 9.562 -16.052 1.00102.76 C ATOM 909 OE1 GLN A 362 15.086 8.699 -16.579 1.00 99.53 O ATOM 910 NE2 GLN A 362 14.050 9.507 -14.768 1.00 96.08 N ATOM 911 HE22 GLN A 362 13.450 10.247 -14.351 1.00 0.00 H ATOM 912 HE21 GLN A 362 14.395 8.724 -14.177 1.00 0.00 H ATOM 913 H GLN A 362 12.133 7.948 -17.517 1.00 0.00 H ATOM 914 N ARG A 363 9.905 10.586 -19.035 1.00 45.43 N ATOM 915 CA ARG A 363 8.843 11.343 -19.707 1.00 43.88 C ATOM 916 C ARG A 363 7.491 11.141 -19.032 1.00 43.84 C ATOM 917 O ARG A 363 6.765 12.114 -18.810 1.00 42.31 O ATOM 918 CB ARG A 363 8.783 10.992 -21.203 1.00 46.16 C ATOM 919 CG ARG A 363 8.157 12.084 -22.070 1.00 61.58 C ATOM 920 CD ARG A 363 8.710 12.098 -23.489 1.00 80.41 C ATOM 921 NE ARG A 363 10.131 12.457 -23.536 1.00 96.23 N ATOM 922 CZ ARG A 363 10.799 12.746 -24.649 1.00117.36 C ATOM 923 NH1 ARG A 363 10.183 12.733 -25.825 1.00107.47 N ATOM 924 NH2 ARG A 363 12.089 13.050 -24.594 1.00108.22 N ATOM 925 HE ARG A 363 10.652 12.488 -22.637 1.00 0.00 H ATOM 926 HH12 ARG A 363 10.712 12.960 -26.691 1.00 0.00 H ATOM 927 HH11 ARG A 363 9.172 12.496 -25.880 1.00 0.00 H ATOM 928 HH22 ARG A 363 12.608 13.275 -25.467 1.00 0.00 H ATOM 929 HH21 ARG A 363 12.582 13.063 -23.678 1.00 0.00 H ATOM 930 H ARG A 363 10.415 9.864 -19.583 1.00 0.00 H ATOM 931 N GLU A 364 7.184 9.877 -18.680 1.00 37.90 N ATOM 932 CA GLU A 364 5.964 9.466 -17.995 1.00 35.07 C ATOM 933 C GLU A 364 5.931 10.045 -16.569 1.00 35.87 C ATOM 934 O GLU A 364 4.884 10.536 -16.145 1.00 32.69 O ATOM 935 CB GLU A 364 5.872 7.935 -17.973 1.00 35.97 C ATOM 936 CG GLU A 364 4.480 7.403 -17.691 1.00 42.28 C ATOM 937 CD GLU A 364 4.426 5.891 -17.757 1.00 56.83 C ATOM 938 OE1 GLU A 364 4.813 5.242 -16.760 1.00 46.20 O ATOM 939 OE2 GLU A 364 4.079 5.355 -18.834 1.00 51.67 O ATOM 940 H GLU A 364 7.873 9.134 -18.916 1.00 0.00 H ATOM 941 N ARG A 365 7.079 10.013 -15.858 1.00 33.65 N ATOM 942 CA ARG A 365 7.220 10.572 -14.506 1.00 33.59 C ATOM 943 C ARG A 365 6.908 12.086 -14.513 1.00 35.95 C ATOM 944 O ARG A 365 6.171 12.553 -13.641 1.00 32.66 O ATOM 945 CB ARG A 365 8.632 10.300 -13.941 1.00 36.41 C ATOM 946 CG ARG A 365 8.890 10.830 -12.522 1.00 50.98 C ATOM 947 CD ARG A 365 8.270 9.969 -11.435 1.00 62.65 C ATOM 948 NE ARG A 365 7.793 10.773 -10.308 1.00 66.90 N ATOM 949 CZ ARG A 365 8.332 10.766 -9.092 1.00 79.05 C ATOM 950 NH1 ARG A 365 7.826 11.528 -8.131 1.00 61.27 N ATOM 951 NH2 ARG A 365 9.376 9.990 -8.824 1.00 67.70 N ATOM 952 HE ARG A 365 6.974 11.394 -10.470 1.00 0.00 H ATOM 953 HH12 ARG A 365 8.251 11.519 -7.182 1.00 0.00 H ATOM 954 HH11 ARG A 365 7.004 12.135 -8.327 1.00 0.00 H ATOM 955 HH22 ARG A 365 9.792 9.989 -7.871 1.00 0.00 H ATOM 956 HH21 ARG A 365 9.777 9.383 -9.567 1.00 0.00 H ATOM 957 H ARG A 365 7.912 9.567 -16.293 1.00 0.00 H ATOM 958 N ALA A 366 7.450 12.826 -15.504 1.00 34.32 N ATOM 959 CA ALA A 366 7.252 14.273 -15.679 1.00 34.79 C ATOM 960 C ALA A 366 5.780 14.629 -15.904 1.00 36.34 C ATOM 961 O ALA A 366 5.296 15.608 -15.328 1.00 36.14 O ATOM 962 CB ALA A 366 8.100 14.784 -16.837 1.00 37.62 C ATOM 963 H ALA A 366 8.053 12.336 -16.196 1.00 0.00 H ATOM 964 N GLN A 367 5.065 13.815 -16.719 1.00 30.14 N ATOM 965 CA GLN A 367 3.637 13.976 -17.006 1.00 28.18 C ATOM 966 C GLN A 367 2.828 13.667 -15.735 1.00 27.04 C ATOM 967 O GLN A 367 1.880 14.392 -15.431 1.00 24.43 O ATOM 968 CB GLN A 367 3.243 13.024 -18.141 1.00 29.73 C ATOM 969 CG GLN A 367 2.014 13.430 -18.925 1.00 39.95 C ATOM 970 CD GLN A 367 1.988 12.824 -20.315 1.00 48.10 C ATOM 971 OE1 GLN A 367 2.296 11.643 -20.528 1.00 39.22 O ATOM 972 NE2 GLN A 367 1.578 13.612 -21.289 1.00 36.99 N ATOM 973 HE22 GLN A 367 1.325 14.600 -21.087 1.00 0.00 H ATOM 974 HE21 GLN A 367 1.508 13.246 -22.260 1.00 0.00 H ATOM 975 H GLN A 367 5.564 13.022 -17.171 1.00 0.00 H ATOM 976 N TRP A 368 3.219 12.602 -14.988 1.00 23.77 N ATOM 977 CA TRP A 368 2.564 12.203 -13.731 1.00 23.32 C ATOM 978 C TRP A 368 2.726 13.306 -12.665 1.00 24.03 C ATOM 979 O TRP A 368 1.766 13.631 -11.973 1.00 21.69 O ATOM 980 CB TRP A 368 3.128 10.858 -13.237 1.00 22.53 C ATOM 981 CG TRP A 368 2.430 10.241 -12.055 1.00 22.45 C ATOM 982 CD1 TRP A 368 1.396 9.347 -12.089 1.00 24.00 C ATOM 983 CD2 TRP A 368 2.818 10.354 -10.679 1.00 22.58 C ATOM 984 NE1 TRP A 368 1.100 8.917 -10.819 1.00 22.74 N ATOM 985 CE2 TRP A 368 1.953 9.523 -9.931 1.00 25.10 C ATOM 986 CE3 TRP A 368 3.828 11.066 -10.003 1.00 25.21 C ATOM 987 CZ2 TRP A 368 2.049 9.404 -8.537 1.00 24.78 C ATOM 988 CZ3 TRP A 368 3.918 10.955 -8.621 1.00 26.74 C ATOM 989 CH2 TRP A 368 3.045 10.124 -7.904 1.00 26.51 C ATOM 990 HE1 TRP A 368 0.350 8.241 -10.570 1.00 0.00 H ATOM 991 H TRP A 368 4.026 12.037 -15.322 1.00 0.00 H ATOM 992 N ASP A 369 3.934 13.888 -12.556 1.00 21.75 N ATOM 993 CA ASP A 369 4.219 14.967 -11.608 1.00 21.84 C ATOM 994 C ASP A 369 3.347 16.193 -11.887 1.00 26.34 C ATOM 995 O ASP A 369 2.848 16.801 -10.932 1.00 25.28 O ATOM 996 CB ASP A 369 5.716 15.331 -11.608 1.00 24.93 C ATOM 997 CG ASP A 369 6.618 14.315 -10.913 1.00 31.79 C ATOM 998 OD1 ASP A 369 6.090 13.449 -10.170 1.00 28.79 O ATOM 999 OD2 ASP A 369 7.852 14.427 -11.055 1.00 37.39 O ATOM 1000 H ASP A 369 4.702 13.556 -13.174 1.00 0.00 H ATOM 1001 N ILE A 370 3.111 16.516 -13.192 1.00 23.20 N ATOM 1002 CA ILE A 370 2.214 17.622 -13.604 1.00 22.58 C ATOM 1003 C ILE A 370 0.777 17.290 -13.132 1.00 22.58 C ATOM 1004 O ILE A 370 0.103 18.146 -12.558 1.00 21.84 O ATOM 1005 CB ILE A 370 2.279 17.912 -15.144 1.00 26.53 C ATOM 1006 CG1 ILE A 370 3.635 18.552 -15.541 1.00 29.84 C ATOM 1007 CG2 ILE A 370 1.128 18.817 -15.602 1.00 27.17 C ATOM 1008 CD1 ILE A 370 4.007 18.428 -17.045 1.00 38.38 C ATOM 1009 H ILE A 370 3.583 15.959 -13.933 1.00 0.00 H ATOM 1010 N GLY A 371 0.336 16.064 -13.406 1.00 19.06 N ATOM 1011 CA GLY A 371 -0.983 15.578 -13.011 1.00 17.12 C ATOM 1012 C GLY A 371 -1.195 15.658 -11.513 1.00 19.71 C ATOM 1013 O GLY A 371 -2.232 16.145 -11.052 1.00 18.41 O ATOM 1014 H GLY A 371 0.963 15.419 -13.928 1.00 0.00 H ATOM 1015 N ILE A 372 -0.190 15.209 -10.741 1.00 18.25 N ATOM 1016 CA ILE A 372 -0.224 15.249 -9.275 1.00 18.26 C ATOM 1017 C ILE A 372 -0.334 16.677 -8.770 1.00 22.01 C ATOM 1018 O ILE A 372 -1.153 16.935 -7.890 1.00 20.87 O ATOM 1019 CB ILE A 372 0.960 14.463 -8.664 1.00 21.34 C ATOM 1020 CG1 ILE A 372 0.754 12.936 -8.842 1.00 20.80 C ATOM 1021 CG2 ILE A 372 1.274 14.864 -7.213 1.00 23.81 C ATOM 1022 CD1 ILE A 372 -0.437 12.295 -8.126 1.00 21.33 C ATOM 1023 H ILE A 372 0.652 14.814 -11.206 1.00 0.00 H ATOM 1024 N ALA A 373 0.461 17.605 -9.346 1.00 19.97 N ATOM 1025 CA ALA A 373 0.401 19.020 -9.000 1.00 20.66 C ATOM 1026 C ALA A 373 -1.042 19.543 -9.195 1.00 21.11 C ATOM 1027 O ALA A 373 -1.569 20.199 -8.300 1.00 18.48 O ATOM 1028 CB ALA A 373 1.404 19.824 -9.837 1.00 22.68 C ATOM 1029 H ALA A 373 1.145 17.297 -10.067 1.00 0.00 H ATOM 1030 N HIS A 374 -1.712 19.169 -10.304 1.00 18.55 N ATOM 1031 CA HIS A 374 -3.102 19.585 -10.548 1.00 18.58 C ATOM 1032 C HIS A 374 -4.047 18.946 -9.525 1.00 20.67 C ATOM 1033 O HIS A 374 -4.911 19.631 -8.977 1.00 20.54 O ATOM 1034 CB HIS A 374 -3.556 19.238 -11.983 1.00 18.84 C ATOM 1035 CG HIS A 374 -3.007 20.169 -13.016 1.00 22.76 C ATOM 1036 ND1 HIS A 374 -3.473 21.465 -13.135 1.00 25.84 N ATOM 1037 CD2 HIS A 374 -2.089 19.945 -13.983 1.00 25.78 C ATOM 1038 CE1 HIS A 374 -2.796 22.004 -14.137 1.00 26.75 C ATOM 1039 NE2 HIS A 374 -1.940 21.132 -14.670 1.00 27.04 N ATOM 1040 H HIS A 374 -1.233 18.570 -11.006 1.00 0.00 H ATOM 1041 N ALA A 375 -3.868 17.647 -9.261 1.00 16.56 N ATOM 1042 CA ALA A 375 -4.705 16.898 -8.308 1.00 15.73 C ATOM 1043 C ALA A 375 -4.615 17.463 -6.873 1.00 21.74 C ATOM 1044 O ALA A 375 -5.636 17.547 -6.188 1.00 22.49 O ATOM 1045 CB ALA A 375 -4.315 15.430 -8.331 1.00 15.09 C ATOM 1046 H ALA A 375 -3.102 17.142 -9.751 1.00 0.00 H ATOM 1047 N GLU A 376 -3.407 17.885 -6.450 1.00 18.79 N ATOM 1048 CA GLU A 376 -3.140 18.468 -5.124 1.00 20.63 C ATOM 1049 C GLU A 376 -3.796 19.839 -4.999 1.00 27.13 C ATOM 1050 O GLU A 376 -4.290 20.183 -3.929 1.00 27.85 O ATOM 1051 CB GLU A 376 -1.626 18.542 -4.856 1.00 22.25 C ATOM 1052 CG GLU A 376 -0.998 17.185 -4.543 1.00 26.41 C ATOM 1053 CD GLU A 376 -1.596 16.462 -3.348 1.00 32.76 C ATOM 1054 OE1 GLU A 376 -1.640 17.058 -2.248 1.00 26.23 O ATOM 1055 OE2 GLU A 376 -2.074 15.319 -3.525 1.00 26.09 O ATOM 1056 H GLU A 376 -2.606 17.792 -7.107 1.00 0.00 H ATOM 1057 N LYS A 377 -3.843 20.602 -6.110 1.00 23.30 N ATOM 1058 CA LYS A 377 -4.532 21.893 -6.143 1.00 24.21 C ATOM 1059 C LYS A 377 -6.057 21.625 -6.041 1.00 25.51 C ATOM 1060 O LYS A 377 -6.730 22.264 -5.231 1.00 25.18 O ATOM 1061 CB LYS A 377 -4.165 22.655 -7.430 1.00 27.78 C ATOM 1062 CG LYS A 377 -4.635 24.103 -7.466 1.00 43.02 C ATOM 1063 CD LYS A 377 -4.015 24.854 -8.634 1.00 51.55 C ATOM 1064 CE LYS A 377 -4.682 26.185 -8.895 1.00 64.04 C ATOM 1065 NZ LYS A 377 -4.131 27.255 -8.022 1.00 77.96 N ATOM 1066 HZ1 LYS A 377 -4.284 27.001 -7.025 1.00 0.00 H ATOM 1067 HZ2 LYS A 377 -3.112 27.357 -8.202 1.00 0.00 H ATOM 1068 HZ3 LYS A 377 -4.613 28.153 -8.230 1.00 0.00 H ATOM 1069 H LYS A 377 -3.373 20.261 -6.973 1.00 0.00 H ATOM 1070 N ALA A 378 -6.574 20.644 -6.817 1.00 20.42 N ATOM 1071 CA ALA A 378 -7.991 20.223 -6.857 1.00 20.03 C ATOM 1072 C ALA A 378 -8.485 19.729 -5.499 1.00 24.93 C ATOM 1073 O ALA A 378 -9.638 19.958 -5.145 1.00 23.70 O ATOM 1074 CB ALA A 378 -8.183 19.127 -7.894 1.00 18.86 C ATOM 1075 H ALA A 378 -5.914 20.140 -7.443 1.00 0.00 H ATOM 1076 N LEU A 379 -7.602 19.077 -4.736 1.00 23.17 N ATOM 1077 CA LEU A 379 -7.899 18.550 -3.403 1.00 24.92 C ATOM 1078 C LEU A 379 -8.233 19.666 -2.395 1.00 30.64 C ATOM 1079 O LEU A 379 -9.064 19.445 -1.510 1.00 31.12 O ATOM 1080 CB LEU A 379 -6.718 17.674 -2.942 1.00 25.99 C ATOM 1081 CG LEU A 379 -6.891 16.727 -1.732 1.00 32.03 C ATOM 1082 CD1 LEU A 379 -7.995 15.694 -1.962 1.00 31.14 C ATOM 1083 CD2 LEU A 379 -5.600 15.999 -1.471 1.00 33.32 C ATOM 1084 H LEU A 379 -6.643 18.935 -5.113 1.00 0.00 H ATOM 1085 N LYS A 380 -7.667 20.884 -2.599 1.00 26.73 N ATOM 1086 CA LYS A 380 -7.894 22.073 -1.762 1.00 28.63 C ATOM 1087 C LYS A 380 -9.174 22.822 -2.149 1.00 32.56 C ATOM 1088 O LYS A 380 -9.546 23.790 -1.486 1.00 33.59 O ATOM 1089 CB LYS A 380 -6.679 23.020 -1.828 1.00 32.14 C ATOM 1090 CG LYS A 380 -5.388 22.420 -1.275 1.00 40.31 C ATOM 1091 CD LYS A 380 -4.192 23.268 -1.668 1.00 51.58 C ATOM 1092 CE LYS A 380 -2.889 22.599 -1.310 1.00 63.51 C ATOM 1093 NZ LYS A 380 -1.728 23.467 -1.634 1.00 74.90 N ATOM 1094 HZ1 LYS A 380 -1.725 23.673 -2.653 1.00 0.00 H ATOM 1095 HZ2 LYS A 380 -1.801 24.356 -1.099 1.00 0.00 H ATOM 1096 HZ3 LYS A 380 -0.848 22.977 -1.376 1.00 0.00 H ATOM 1097 H LYS A 380 -7.023 20.984 -3.410 1.00 0.00 H ATOM 1098 N MET A 381 -9.853 22.363 -3.219 1.00 27.05 N ATOM 1099 CA MET A 381 -11.085 22.957 -3.730 1.00 26.82 C ATOM 1100 C MET A 381 -12.303 22.173 -3.247 1.00 30.70 C ATOM 1101 O MET A 381 -12.181 21.012 -2.859 1.00 29.83 O ATOM 1102 CB MET A 381 -11.073 22.941 -5.284 1.00 27.44 C ATOM 1103 CG MET A 381 -9.981 23.789 -5.907 1.00 30.71 C ATOM 1104 SD MET A 381 -10.023 23.732 -7.703 1.00 33.49 S ATOM 1105 CE MET A 381 -8.562 24.592 -8.070 1.00 31.20 C ATOM 1106 H MET A 381 -9.474 21.530 -3.714 1.00 0.00 H ATOM 1107 N THR A 382 -13.491 22.788 -3.343 1.00 28.61 N ATOM 1108 CA THR A 382 -14.756 22.100 -3.068 1.00 28.63 C ATOM 1109 C THR A 382 -15.077 21.358 -4.372 1.00 31.42 C ATOM 1110 O THR A 382 -14.505 21.708 -5.410 1.00 29.46 O ATOM 1111 CB THR A 382 -15.883 23.109 -2.750 1.00 34.73 C ATOM 1112 OG1 THR A 382 -16.056 23.974 -3.869 1.00 31.00 O ATOM 1113 CG2 THR A 382 -15.618 23.928 -1.472 1.00 35.36 C ATOM 1114 HG1 THR A 382 -16.777 24.624 -3.674 1.00 0.00 H ATOM 1115 H THR A 382 -13.516 23.789 -3.623 1.00 0.00 H ATOM 1116 N ARG A 383 -16.003 20.373 -4.337 1.00 28.38 N ATOM 1117 CA ARG A 383 -16.416 19.619 -5.523 1.00 27.49 C ATOM 1118 C ARG A 383 -16.932 20.554 -6.642 1.00 30.45 C ATOM 1119 O ARG A 383 -16.546 20.374 -7.798 1.00 27.79 O ATOM 1120 CB ARG A 383 -17.464 18.562 -5.144 1.00 30.32 C ATOM 1121 CG ARG A 383 -17.623 17.435 -6.158 1.00 32.85 C ATOM 1122 CD ARG A 383 -18.514 16.311 -5.630 1.00 37.17 C ATOM 1123 NE ARG A 383 -19.859 16.790 -5.294 1.00 43.34 N ATOM 1124 CZ ARG A 383 -20.912 16.766 -6.112 1.00 55.01 C ATOM 1125 NH1 ARG A 383 -22.084 17.237 -5.708 1.00 38.17 N ATOM 1126 NH2 ARG A 383 -20.802 16.258 -7.336 1.00 36.04 N ATOM 1127 HE ARG A 383 -20.003 17.180 -4.341 1.00 0.00 H ATOM 1128 HH12 ARG A 383 -22.902 17.216 -6.350 1.00 0.00 H ATOM 1129 HH11 ARG A 383 -22.185 17.627 -4.749 1.00 0.00 H ATOM 1130 HH22 ARG A 383 -21.627 16.242 -7.969 1.00 0.00 H ATOM 1131 HH21 ARG A 383 -19.891 15.876 -7.661 1.00 0.00 H ATOM 1132 H ARG A 383 -16.443 20.140 -3.424 1.00 0.00 H ATOM 1133 N GLU A 384 -17.737 21.589 -6.280 1.00 28.17 N ATOM 1134 CA GLU A 384 -18.266 22.594 -7.216 1.00 28.09 C ATOM 1135 C GLU A 384 -17.144 23.405 -7.856 1.00 29.33 C ATOM 1136 O GLU A 384 -17.197 23.638 -9.062 1.00 27.24 O ATOM 1137 CB GLU A 384 -19.288 23.541 -6.540 1.00 31.59 C ATOM 1138 CG GLU A 384 -20.588 22.859 -6.141 1.00 45.37 C ATOM 1139 CD GLU A 384 -21.746 23.772 -5.774 1.00 71.05 C ATOM 1140 OE1 GLU A 384 -21.506 24.952 -5.425 1.00 62.35 O ATOM 1141 OE2 GLU A 384 -22.903 23.293 -5.817 1.00 67.15 O ATOM 1142 H GLU A 384 -17.995 21.676 -5.276 1.00 0.00 H ATOM 1143 N GLU A 385 -16.124 23.822 -7.062 1.00 26.04 N ATOM 1144 CA GLU A 385 -14.965 24.569 -7.569 1.00 25.65 C ATOM 1145 C GLU A 385 -14.154 23.735 -8.549 1.00 26.06 C ATOM 1146 O GLU A 385 -13.763 24.252 -9.597 1.00 24.27 O ATOM 1147 CB GLU A 385 -14.053 25.026 -6.428 1.00 27.53 C ATOM 1148 CG GLU A 385 -14.496 26.319 -5.768 1.00 37.67 C ATOM 1149 CD GLU A 385 -13.645 26.691 -4.568 1.00 54.31 C ATOM 1150 OE1 GLU A 385 -13.861 27.792 -4.012 1.00 50.07 O ATOM 1151 OE2 GLU A 385 -12.773 25.880 -4.175 1.00 38.89 O ATOM 1152 H GLU A 385 -16.165 23.602 -6.046 1.00 0.00 H ATOM 1153 N ARG A 386 -13.923 22.438 -8.218 1.00 21.88 N ATOM 1154 CA ARG A 386 -13.183 21.502 -9.076 1.00 20.48 C ATOM 1155 C ARG A 386 -13.909 21.314 -10.401 1.00 23.05 C ATOM 1156 O ARG A 386 -13.261 21.324 -11.444 1.00 21.37 O ATOM 1157 CB ARG A 386 -13.044 20.125 -8.423 1.00 21.56 C ATOM 1158 CG ARG A 386 -11.999 20.031 -7.363 1.00 30.27 C ATOM 1159 CD ARG A 386 -11.717 18.582 -7.067 1.00 31.75 C ATOM 1160 NE ARG A 386 -12.807 17.902 -6.375 1.00 34.69 N ATOM 1161 CZ ARG A 386 -12.915 17.810 -5.057 1.00 48.73 C ATOM 1162 NH1 ARG A 386 -12.020 18.390 -4.267 1.00 35.11 N ATOM 1163 NH2 ARG A 386 -13.932 17.154 -4.515 1.00 35.57 N ATOM 1164 HE ARG A 386 -13.549 17.460 -6.955 1.00 0.00 H ATOM 1165 HH12 ARG A 386 -12.111 18.314 -3.234 1.00 0.00 H ATOM 1166 HH11 ARG A 386 -11.227 18.921 -4.681 1.00 0.00 H ATOM 1167 HH22 ARG A 386 -14.013 17.084 -3.481 1.00 0.00 H ATOM 1168 HH21 ARG A 386 -14.648 16.710 -5.124 1.00 0.00 H ATOM 1169 H ARG A 386 -14.289 22.089 -7.309 1.00 0.00 H ATOM 1170 N ILE A 387 -15.246 21.108 -10.358 1.00 19.81 N ATOM 1171 CA ILE A 387 -16.053 20.922 -11.582 1.00 20.35 C ATOM 1172 C ILE A 387 -15.868 22.135 -12.514 1.00 23.92 C ATOM 1173 O ILE A 387 -15.559 21.962 -13.688 1.00 21.86 O ATOM 1174 CB ILE A 387 -17.541 20.611 -11.250 1.00 24.32 C ATOM 1175 CG1 ILE A 387 -17.683 19.214 -10.604 1.00 23.96 C ATOM 1176 CG2 ILE A 387 -18.418 20.694 -12.500 1.00 25.46 C ATOM 1177 CD1 ILE A 387 -19.004 19.013 -9.733 1.00 26.40 C ATOM 1178 H ILE A 387 -15.721 21.080 -9.433 1.00 0.00 H ATOM 1179 N GLU A 388 -15.970 23.350 -11.962 1.00 22.08 N ATOM 1180 CA GLU A 388 -15.793 24.595 -12.705 1.00 24.02 C ATOM 1181 C GLU A 388 -14.364 24.752 -13.246 1.00 28.30 C ATOM 1182 O GLU A 388 -14.197 25.117 -14.403 1.00 28.56 O ATOM 1183 CB GLU A 388 -16.177 25.797 -11.817 1.00 27.10 C ATOM 1184 CG GLU A 388 -16.345 27.107 -12.575 1.00 45.53 C ATOM 1185 CD GLU A 388 -16.569 28.359 -11.745 1.00 84.20 C ATOM 1186 OE1 GLU A 388 -16.331 28.324 -10.515 1.00 85.67 O ATOM 1187 OE2 GLU A 388 -16.955 29.393 -12.340 1.00 85.96 O ATOM 1188 H GLU A 388 -16.188 23.411 -10.947 1.00 0.00 H ATOM 1189 N GLN A 389 -13.345 24.456 -12.424 1.00 24.79 N ATOM 1190 CA GLN A 389 -11.945 24.633 -12.806 1.00 25.05 C ATOM 1191 C GLN A 389 -11.427 23.637 -13.852 1.00 26.67 C ATOM 1192 O GLN A 389 -10.625 24.027 -14.709 1.00 25.35 O ATOM 1193 CB GLN A 389 -11.056 24.548 -11.547 1.00 26.58 C ATOM 1194 CG GLN A 389 -9.559 24.808 -11.777 1.00 36.95 C ATOM 1195 CD GLN A 389 -9.118 26.218 -11.455 1.00 47.80 C ATOM 1196 OE1 GLN A 389 -9.923 27.126 -11.218 1.00 40.55 O ATOM 1197 NE2 GLN A 389 -7.817 26.435 -11.466 1.00 37.30 N ATOM 1198 HE22 GLN A 389 -7.161 25.654 -11.668 1.00 0.00 H ATOM 1199 HE21 GLN A 389 -7.447 27.387 -11.272 1.00 0.00 H ATOM 1200 H GLN A 389 -13.560 24.085 -11.476 1.00 0.00 H ATOM 1201 N TYR A 390 -11.838 22.358 -13.752 1.00 21.14 N ATOM 1202 CA TYR A 390 -11.239 21.303 -14.556 1.00 19.88 C ATOM 1203 C TYR A 390 -12.088 20.624 -15.615 1.00 22.57 C ATOM 1204 O TYR A 390 -11.493 19.979 -16.483 1.00 21.62 O ATOM 1205 CB TYR A 390 -10.672 20.208 -13.628 1.00 20.37 C ATOM 1206 CG TYR A 390 -9.611 20.737 -12.687 1.00 22.62 C ATOM 1207 CD1 TYR A 390 -8.347 21.087 -13.155 1.00 24.11 C ATOM 1208 CD2 TYR A 390 -9.883 20.923 -11.336 1.00 23.78 C ATOM 1209 CE1 TYR A 390 -7.375 21.599 -12.295 1.00 23.92 C ATOM 1210 CE2 TYR A 390 -8.928 21.446 -10.473 1.00 25.28 C ATOM 1211 CZ TYR A 390 -7.667 21.760 -10.952 1.00 30.30 C ATOM 1212 OH TYR A 390 -6.724 22.243 -10.088 1.00 33.44 O ATOM 1213 HH TYR A 390 -5.884 22.417 -10.582 1.00 0.00 H ATOM 1214 H TYR A 390 -12.600 22.119 -13.086 1.00 0.00 H ATOM 1215 N THR A 391 -13.436 20.721 -15.574 1.00 18.33 N ATOM 1216 CA THR A 391 -14.225 20.013 -16.592 1.00 17.91 C ATOM 1217 C THR A 391 -13.813 20.388 -18.010 1.00 21.41 C ATOM 1218 O THR A 391 -13.870 21.558 -18.375 1.00 21.74 O ATOM 1219 CB THR A 391 -15.733 20.150 -16.382 1.00 21.18 C ATOM 1220 OG1 THR A 391 -16.034 19.743 -15.047 1.00 19.95 O ATOM 1221 CG2 THR A 391 -16.531 19.293 -17.367 1.00 17.66 C ATOM 1222 HG1 THR A 391 -15.546 20.322 -14.409 1.00 0.00 H ATOM 1223 H THR A 391 -13.905 21.285 -14.837 1.00 0.00 H ATOM 1224 N PHE A 392 -13.428 19.376 -18.812 1.00 17.39 N ATOM 1225 CA PHE A 392 -12.998 19.607 -20.187 1.00 17.78 C ATOM 1226 C PHE A 392 -14.088 20.159 -21.070 1.00 23.72 C ATOM 1227 O PHE A 392 -15.270 19.892 -20.854 1.00 21.44 O ATOM 1228 CB PHE A 392 -12.465 18.325 -20.834 1.00 18.46 C ATOM 1229 CG PHE A 392 -11.251 17.692 -20.198 1.00 18.85 C ATOM 1230 CD1 PHE A 392 -10.286 18.473 -19.566 1.00 21.86 C ATOM 1231 CD2 PHE A 392 -11.039 16.324 -20.290 1.00 20.26 C ATOM 1232 CE1 PHE A 392 -9.153 17.883 -18.989 1.00 22.36 C ATOM 1233 CE2 PHE A 392 -9.902 15.736 -19.726 1.00 21.32 C ATOM 1234 CZ PHE A 392 -8.976 16.518 -19.064 1.00 19.77 C ATOM 1235 H PHE A 392 -13.438 18.404 -18.441 1.00 0.00 H ATOM 1236 N ILE A 393 -13.657 20.939 -22.072 1.00 22.53 N ATOM 1237 CA ILE A 393 -14.472 21.477 -23.146 1.00 23.55 C ATOM 1238 C ILE A 393 -14.161 20.547 -24.311 1.00 27.39 C ATOM 1239 O ILE A 393 -12.985 20.319 -24.617 1.00 28.04 O ATOM 1240 CB ILE A 393 -14.113 22.955 -23.471 1.00 28.38 C ATOM 1241 CG1 ILE A 393 -14.351 23.871 -22.243 1.00 29.05 C ATOM 1242 CG2 ILE A 393 -14.893 23.444 -24.701 1.00 31.21 C ATOM 1243 CD1 ILE A 393 -13.555 25.181 -22.261 1.00 39.52 C ATOM 1244 H ILE A 393 -12.646 21.181 -22.080 1.00 0.00 H ATOM 1245 N TYR A 394 -15.200 19.965 -24.913 1.00 23.78 N ATOM 1246 CA TYR A 394 -15.064 19.042 -26.031 1.00 24.97 C ATOM 1247 C TYR A 394 -15.503 19.733 -27.303 1.00 32.07 C ATOM 1248 O TYR A 394 -16.577 20.344 -27.337 1.00 32.50 O ATOM 1249 CB TYR A 394 -15.895 17.767 -25.794 1.00 25.90 C ATOM 1250 CG TYR A 394 -15.394 16.933 -24.636 1.00 26.01 C ATOM 1251 CD1 TYR A 394 -14.402 15.972 -24.819 1.00 27.24 C ATOM 1252 CD2 TYR A 394 -15.877 17.134 -23.345 1.00 25.81 C ATOM 1253 CE1 TYR A 394 -13.920 15.219 -23.750 1.00 24.37 C ATOM 1254 CE2 TYR A 394 -15.404 16.385 -22.270 1.00 24.17 C ATOM 1255 CZ TYR A 394 -14.434 15.422 -22.478 1.00 27.29 C ATOM 1256 OH TYR A 394 -13.987 14.674 -21.412 1.00 24.17 O ATOM 1257 HH TYR A 394 -13.595 15.275 -20.730 1.00 0.00 H ATOM 1258 H TYR A 394 -16.156 20.182 -24.566 1.00 0.00 H ATOM 1259 N ILE A 395 -14.654 19.679 -28.332 1.00 30.46 N ATOM 1260 CA ILE A 395 -14.947 20.297 -29.626 1.00 33.06 C ATOM 1261 C ILE A 395 -15.005 19.198 -30.670 1.00 38.88 C ATOM 1262 O ILE A 395 -14.040 18.442 -30.811 1.00 38.26 O ATOM 1263 CB ILE A 395 -13.927 21.433 -29.987 1.00 37.60 C ATOM 1264 CG1 ILE A 395 -13.998 22.614 -28.994 1.00 38.34 C ATOM 1265 CG2 ILE A 395 -14.112 21.938 -31.420 1.00 39.66 C ATOM 1266 CD1 ILE A 395 -12.884 22.633 -27.961 1.00 47.30 C ATOM 1267 H ILE A 395 -13.750 19.179 -28.209 1.00 0.00 H ATOM 1268 N ASP A 396 -16.136 19.103 -31.390 1.00 38.26 N ATOM 1269 CA ASP A 396 -16.326 18.134 -32.472 1.00 40.12 C ATOM 1270 C ASP A 396 -15.360 18.453 -33.619 1.00 46.17 C ATOM 1271 O ASP A 396 -15.158 19.630 -33.941 1.00 46.49 O ATOM 1272 CB ASP A 396 -17.779 18.159 -32.997 1.00 43.64 C ATOM 1273 CG ASP A 396 -18.860 17.821 -31.979 1.00 57.01 C ATOM 1274 OD1 ASP A 396 -18.562 17.083 -31.012 1.00 56.04 O ATOM 1275 OD2 ASP A 396 -20.015 18.249 -32.179 1.00 64.21 O ATOM 1276 H ASP A 396 -16.918 19.752 -31.167 1.00 0.00 H ATOM 1277 N LYS A 397 -14.771 17.405 -34.225 1.00 43.40 N ATOM 1278 CA LYS A 397 -13.833 17.506 -35.348 1.00 68.61 C ATOM 1279 C LYS A 397 -14.502 18.116 -36.590 1.00 96.44 C ATOM 1280 O LYS A 397 -15.643 17.788 -36.904 1.00 58.63 O ATOM 1281 CB LYS A 397 -13.251 16.122 -35.672 1.00 70.86 C ATOM 1282 CG LYS A 397 -12.111 16.139 -36.681 1.00 88.12 C ATOM 1283 CD LYS A 397 -11.649 14.735 -36.979 1.00100.77 C ATOM 1284 CE LYS A 397 -10.527 14.709 -37.979 1.00117.44 C ATOM 1285 NZ LYS A 397 -9.771 13.436 -37.890 1.00127.41 N ATOM 1286 HZ1 LYS A 397 -9.372 13.337 -36.935 1.00 0.00 H ATOM 1287 HZ2 LYS A 397 -10.411 12.640 -38.083 1.00 0.00 H ATOM 1288 HZ3 LYS A 397 -9.002 13.441 -38.590 1.00 0.00 H ATOM 1289 H LYS A 397 -14.998 16.454 -33.871 1.00 0.00 H TER 1290 LYS A 397 HETATM 1291 O HOH 1 -4.547 23.138 -11.261 1.00 34.26 O HETATM 1292 O HOH 2 -1.813 -0.224 -15.747 1.00 46.74 O HETATM 1293 O HOH 3 -15.024 15.223 -19.006 1.00 19.41 O HETATM 1294 O HOH 4 -17.545 16.279 -19.006 1.00 22.14 O HETATM 1295 O HOH 5 -10.154 6.745 -23.710 1.00 33.68 O HETATM 1296 O HOH 6 -0.176 21.719 -6.579 1.00 32.48 O HETATM 1297 O HOH 7 -5.367 16.056 -25.674 1.00 27.67 O HETATM 1298 O HOH 8 -15.879 25.088 -16.514 1.00 33.40 O HETATM 1299 O HOH 9 1.357 2.380 -10.352 1.00 26.20 O HETATM 1300 O HOH 10 8.788 16.305 -12.761 1.00 41.89 O HETATM 1301 O HOH 11 -15.467 14.954 -3.776 1.00 47.91 O HETATM 1302 O HOH 12 -9.164 10.875 -24.395 1.00 22.23 O HETATM 1303 O HOH 13 -13.113 10.741 -4.322 1.00 33.46 O HETATM 1304 O HOH 14 -1.746 15.412 -0.099 1.00 29.56 O HETATM 1305 O HOH 15 -9.969 2.297 -19.377 1.00 41.75 O HETATM 1306 O HOH 16 -15.856 23.384 -18.645 1.00 29.98 O HETATM 1307 O HOH 17 -25.649 5.302 -15.754 1.00 36.14 O HETATM 1308 O HOH 18 4.070 2.680 -17.307 1.00 43.38 O HETATM 1309 O HOH 19 -19.521 -4.296 -11.599 1.00 36.28 O HETATM 1310 O HOH 20 -13.481 26.963 -9.583 1.00 39.02 O HETATM 1311 O HOH 21 -24.396 14.726 -16.930 1.00 46.67 O HETATM 1312 O HOH 22 -17.166 -4.346 -21.812 1.00 36.08 O HETATM 1313 O HOH 23 -10.667 13.006 -1.618 1.00 43.32 O HETATM 1314 O HOH 24 -9.818 29.110 -9.344 1.00 42.99 O HETATM 1315 O HOH 25 3.588 9.629 -4.235 1.00 38.02 O HETATM 1316 O HOH 26 -0.893 -1.507 -7.802 1.00 31.79 O HETATM 1317 O HOH 27 2.980 3.399 -20.401 1.00 48.62 O HETATM 1318 O HOH 28 6.946 17.551 -14.326 1.00 40.43 O HETATM 1319 O HOH 29 4.000 16.998 -8.448 1.00 28.95 O HETATM 1320 O HOH 30 -17.720 22.825 -27.625 1.00 33.93 O HETATM 1321 O HOH 31 -16.823 17.211 -14.332 1.00 31.30 O HETATM 1322 O HOH 32 -3.307 19.124 -1.537 1.00 28.86 O HETATM 1323 O HOH 33 -17.433 21.572 -20.539 1.00 28.36 O HETATM 1324 O HOH 34 -7.233 13.282 -38.957 1.00 46.87 O HETATM 1325 O HOH 35 -21.732 17.824 -30.056 1.00 49.87 O HETATM 1326 O HOH 36 0.365 2.732 -23.659 1.00 45.39 O HETATM 1327 O HOH 37 -23.244 -1.064 -21.992 1.00 36.94 O HETATM 1328 O HOH 38 -0.906 21.694 -17.179 1.00 38.43 O HETATM 1329 O HOH 39 -3.424 4.717 -15.219 1.00 19.48 O HETATM 1330 O HOH 40 -4.057 15.004 1.298 1.00 44.38 O HETATM 1331 O HOH 41 -5.670 17.156 -17.946 1.00 20.60 O HETATM 1332 O HOH 42 -6.925 -0.709 -19.267 1.00 38.69 O HETATM 1333 O HOH 43 -3.924 9.832 -27.260 1.00 52.76 O HETATM 1334 O HOH 44 -17.562 27.272 -8.244 1.00 44.62 O HETATM 1335 O HOH 45 -11.537 3.847 -3.179 1.00 30.48 O HETATM 1336 O HOH 46 6.642 7.352 -7.697 1.00 51.74 O HETATM 1337 O HOH 47 2.064 -0.315 -13.264 1.00 55.02 O HETATM 1338 O HOH 48 -22.484 -1.686 -9.569 1.00 56.90 O HETATM 1339 O HOH 49 -24.218 8.859 -14.340 1.00 49.00 O HETATM 1340 O HOH 50 7.330 -6.627 -4.569 1.00 33.56 O HETATM 1341 O HOH 51 -15.899 -7.471 -13.428 1.00 42.41 O HETATM 1342 O HOH 52 -8.856 20.767 -17.162 1.00 19.92 O HETATM 1343 O HOH 53 -8.353 23.295 -16.240 1.00 27.90 O HETATM 1344 O HOH 54 7.177 1.239 -9.081 1.00 30.77 O HETATM 1345 O HOH 55 -22.556 13.063 -10.143 1.00 30.99 O HETATM 1346 O HOH 56 -11.037 -0.523 -17.159 1.00 30.09 O HETATM 1347 O HOH 57 -12.955 13.815 -4.131 1.00 22.34 O HETATM 1348 O HOH 58 10.289 3.133 -9.187 1.00 43.46 O HETATM 1349 O HOH 59 3.671 -3.615 -6.769 1.00 46.65 O HETATM 1350 O HOH 60 -5.858 24.852 -12.859 1.00 36.09 O HETATM 1351 O HOH 61 -6.915 13.085 -8.625 1.00 44.45 O HETATM 1352 O HOH 62 -18.763 16.519 -16.143 1.00 21.64 O HETATM 1353 O HOH 63 -4.406 3.788 -22.220 1.00 42.33 O HETATM 1354 O HOH 64 4.612 8.062 1.757 1.00 44.10 O HETATM 1355 O HOH 65 6.192 -1.299 -8.838 1.00 30.57 O HETATM 1356 O HOH 66 -8.901 16.869 -15.133 1.00 17.72 O HETATM 1357 O HOH 67 -23.359 15.908 -19.172 1.00 40.04 O HETATM 1358 O HOH 68 -5.350 20.562 -15.239 1.00 41.09 O HETATM 1359 O HOH 69 -6.619 29.131 -11.086 1.00 40.69 O HETATM 1360 O HOH 70 -15.756 -1.812 -21.720 1.00 36.16 O HETATM 1361 O HOH 71 -26.584 10.337 -26.273 1.00 59.22 O HETATM 1362 O HOH 72 -15.500 -5.696 -17.726 1.00 41.73 O HETATM 1363 O HOH 73 -15.773 14.807 -33.084 1.00 43.54 O HETATM 1364 O HOH 74 -0.663 12.895 0.416 1.00 30.36 O HETATM 1365 O HOH 75 -12.621 4.656 -22.750 1.00 24.68 O HETATM 1366 O HOH 76 -18.051 20.506 -24.057 1.00 52.16 O HETATM 1367 O HOH 77 -27.177 1.828 -12.181 1.00 32.63 O HETATM 1368 O HOH 78 -8.156 12.183 -27.885 1.00 45.38 O HETATM 1369 O HOH 79 -25.664 3.310 -13.875 1.00 40.19 O HETATM 1370 O HOH 80 -19.158 21.171 -3.527 1.00 48.72 O HETATM 1371 O HOH 81 4.065 6.759 -21.661 1.00 68.13 O HETATM 1372 O HOH 82 -2.000 2.095 -22.455 1.00 28.62 O HETATM 1373 O HOH 83 8.234 7.663 -20.723 1.00 45.12 O HETATM 1374 O HOH 84 -19.629 19.747 -26.493 1.00 50.21 O HETATM 1375 O HOH 85 3.950 7.563 -2.479 1.00 56.84 O HETATM 1376 O HOH 86 -18.783 -1.289 -22.805 1.00 40.19 O HETATM 1377 O HOH 87 -9.934 -4.380 -16.706 1.00 58.29 O HETATM 1378 O HOH 88 -19.618 -10.882 -19.908 1.00 42.47 O HETATM 1379 O HOH 89 -14.799 9.412 -2.712 1.00 39.10 O HETATM 1380 O HOH 90 -8.476 8.445 -25.640 1.00 65.44 O HETATM 1381 O HOH 91 -14.334 18.594 -39.878 1.00 48.04 O HETATM 1382 O HOH 92 -12.797 1.817 -4.480 1.00 48.05 O HETATM 1383 O HOH 93 7.228 11.448 -27.117 1.00 53.79 O HETATM 1384 O HOH 94 -22.885 24.013 -9.221 1.00 48.70 O HETATM 1385 O HOH 95 -11.429 15.471 -2.456 1.00 49.69 O HETATM 1386 O HOH 96 5.835 2.755 -13.000 1.00 42.52 O HETATM 1387 O HOH 97 5.771 9.564 -6.050 1.00 53.70 O HETATM 1388 O HOH 98 -21.540 13.656 -4.453 1.00 41.10 O HETATM 1389 O HOH 99 -25.039 10.712 -28.671 1.00 50.50 O HETATM 1390 O HOH 100 3.910 1.103 -11.811 1.00 55.83 O HETATM 1391 O HOH 101 -5.883 23.539 -15.261 1.00 37.71 O HETATM 1392 O HOH 102 -11.504 10.925 -26.059 1.00 33.37 O HETATM 1393 O HOH 103 -19.802 26.673 -9.665 1.00 36.22 O HETATM 1394 O HOH 104 -22.594 6.878 -1.907 1.00 45.86 O HETATM 1395 O HOH 105 -19.803 23.460 -2.178 1.00 42.83 O HETATM 1396 O HOH 106 -11.857 27.779 -7.593 1.00 35.17 O HETATM 1397 O HOH 107 -20.882 6.539 -26.643 1.00 62.07 O HETATM 1398 O HOH 108 -7.152 18.745 -16.217 1.00 23.46 O HETATM 1399 O HOH 109 7.057 9.160 -23.706 1.00 56.60 O HETATM 1400 N3 EHT A 110 -1.654 11.967 -19.812 1.00 -0.31 N HETATM 1401 C4 EHT A 110 -0.931 10.889 -19.483 1.00 0.00 C HETATM 1402 C5 EHT A 110 -1.437 9.601 -19.476 1.00 -0.03 C HETATM 1403 C6 EHT A 110 -2.775 9.404 -19.802 1.00 0.01 C HETATM 1404 C7 EHT A 110 -3.359 8.046 -19.835 1.00 0.09 C HETATM 1405 C8 EHT A 110 -4.000 7.354 -20.853 1.00 0.02 C HETATM 1406 C13 EHT A 110 -4.375 7.802 -22.177 1.00 0.02 C HETATM 1407 C17 EHT A 110 -3.558 8.415 -23.184 1.00 0.02 C HETATM 1408 N16 EHT A 110 -4.254 8.690 -24.250 1.00 -0.17 N HETATM 1409 O15 EHT A 110 -5.573 8.243 -23.988 1.00 -0.18 O HETATM 1410 C14 EHT A 110 -5.625 7.746 -22.738 1.00 0.14 C HETATM 1411 C18 EHT A 110 -6.946 7.238 -22.292 1.00 0.01 C HETATM 1412 H9 EHT A 110 -7.689 7.403 -23.086 1.00 0.05 H HETATM 1413 H10 EHT A 110 -7.256 7.772 -21.382 1.00 0.05 H HETATM 1414 H11 EHT A 110 -6.872 6.162 -22.078 1.00 0.05 H HETATM 1415 C19 EHT A 110 -2.103 8.750 -23.156 1.00 -0.03 C HETATM 1416 H12 EHT A 110 -1.815 9.215 -24.110 1.00 0.04 H HETATM 1417 H13 EHT A 110 -1.518 7.831 -23.005 1.00 0.04 H HETATM 1418 H14 EHT A 110 -1.904 9.451 -22.332 1.00 0.04 H HETATM 1419 N9 EHT A 110 -4.349 6.083 -20.420 1.00 -0.31 N HETATM 1420 C10 EHT A 110 -3.940 6.020 -19.173 1.00 0.10 C HETATM 1421 N11 EHT A 110 -3.279 7.125 -18.763 1.00 -0.25 N HETATM 1422 C12 EHT A 110 -2.720 7.346 -17.433 1.00 0.05 C HETATM 1423 H6 EHT A 110 -2.241 8.336 -17.396 1.00 0.06 H HETATM 1424 H7 EHT A 110 -1.973 6.569 -17.216 1.00 0.06 H HETATM 1425 H8 EHT A 110 -3.525 7.300 -16.685 1.00 0.06 H HETATM 1426 H3 EHT A 110 -4.117 5.159 -18.531 1.00 0.13 H HETATM 1427 C1 EHT A 110 -3.534 10.515 -20.164 1.00 -0.03 C HETATM 1428 C2 EHT A 110 -2.936 11.762 -20.149 1.00 0.00 C HETATM 1429 H5 EHT A 110 -3.537 12.621 -20.425 1.00 0.08 H HETATM 1430 H4 EHT A 110 -4.573 10.404 -20.452 1.00 0.07 H HETATM 1431 H2 EHT A 110 -0.802 8.760 -19.221 1.00 0.07 H HETATM 1432 H1 EHT A 110 0.107 11.033 -19.207 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 805 806 816 817 818 CONECT 816 805 CONECT 817 805 CONECT 818 805 CONECT 1400 1401 1428 CONECT 1401 1400 1402 1432 CONECT 1402 1401 1403 1431 CONECT 1403 1402 1404 1427 CONECT 1404 1403 1405 1421 CONECT 1405 1404 1406 1419 CONECT 1406 1405 1407 1410 CONECT 1407 1406 1408 1415 CONECT 1408 1407 1409 CONECT 1409 1408 1410 CONECT 1410 1406 1409 1411 CONECT 1411 1410 1412 1413 1414 CONECT 1412 1411 CONECT 1413 1411 CONECT 1414 1411 CONECT 1415 1407 1416 1417 1418 CONECT 1416 1415 CONECT 1417 1415 CONECT 1418 1415 CONECT 1419 1405 1420 CONECT 1420 1419 1421 1426 CONECT 1421 1404 1420 1422 CONECT 1422 1421 1423 1424 1425 CONECT 1423 1422 CONECT 1424 1422 CONECT 1425 1422 CONECT 1426 1420 CONECT 1427 1403 1428 1430 CONECT 1428 1400 1427 1429 CONECT 1429 1428 CONECT 1430 1427 CONECT 1431 1402 CONECT 1432 1401 MASTER 0 0 0 0 0 0 0 0 1430 2 41 10 END
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Related entries of code: 6g2c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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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%
6g2e
RCSB PDB
PDBbind
136aa, >6G2E_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
6g2c
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone-lysine N-methyltransferase NSD3
Ligand Name
EHT
EC.Number
E.C.2.1.1.43
Resolution
1.76(Å)
Affinity (Kd/Ki/IC50)
Kd=22uM
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
4
H
1
4
N
4
O
Molecular Weight
254.287
Exact Mass
254.117
No. of atoms
33
No. of bonds
35
Polar Surface Area
56.74
LOGP Value
1.51 (
Computed with XLOGP3
)
2.75 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
Cc1onc(c1c1ncn(c1c1ccncc1)C)C
InChI String
InChI=1S/C14H14N4O/c1-9-12(10(2)19-17-9)13-14(18(3)8-16-13)11-4-6-15-7-5-11/h4-8H,1-3H3
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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