Browse entries in the PDBbind-CN Database
HEADER 6G27_COMPLEX COMPND 6G27_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 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 EHE A 221 40 ATOM 1 N VAL A 266 -23.876 3.538 -6.764 1.00 50.79 N ATOM 2 CA VAL A 266 -23.051 4.649 -7.253 1.00 46.48 C ATOM 3 C VAL A 266 -22.295 5.276 -6.060 1.00 50.67 C ATOM 4 O VAL A 266 -22.922 5.843 -5.161 1.00 53.67 O ATOM 5 CB VAL A 266 -23.886 5.679 -8.061 1.00 49.21 C ATOM 6 CG1 VAL A 266 -22.992 6.752 -8.675 1.00 45.50 C ATOM 7 CG2 VAL A 266 -24.717 4.996 -9.145 1.00 49.45 C ATOM 8 HN3 VAL A 266 -24.558 3.896 -6.065 1.00 0.00 H ATOM 9 HN2 VAL A 266 -23.265 2.823 -6.320 1.00 0.00 H ATOM 10 HN1 VAL A 266 -24.388 3.111 -7.562 1.00 0.00 H ATOM 11 N LYS A 267 -20.956 5.118 -6.042 1.00 43.89 N ATOM 12 CA LYS A 267 -20.051 5.574 -4.979 1.00 42.74 C ATOM 13 C LYS A 267 -19.391 6.915 -5.263 1.00 40.77 C ATOM 14 O LYS A 267 -18.833 7.528 -4.346 1.00 40.31 O ATOM 15 CB LYS A 267 -18.967 4.514 -4.703 1.00 45.43 C ATOM 16 CG LYS A 267 -19.479 3.294 -3.948 1.00 71.47 C ATOM 17 CD LYS A 267 -18.386 2.262 -3.718 1.00 85.40 C ATOM 18 CE LYS A 267 -18.902 1.078 -2.934 1.00104.40 C ATOM 19 NZ LYS A 267 -17.828 0.092 -2.647 1.00116.17 N ATOM 20 HZ1 LYS A 267 -17.432 -0.258 -3.543 1.00 0.00 H ATOM 21 HZ2 LYS A 267 -17.078 0.550 -2.090 1.00 0.00 H ATOM 22 HZ3 LYS A 267 -18.225 -0.704 -2.108 1.00 0.00 H ATOM 23 H LYS A 267 -20.526 4.630 -6.853 1.00 0.00 H ATOM 24 N PHE A 268 -19.392 7.350 -6.533 1.00 33.64 N ATOM 25 CA PHE A 268 -18.754 8.610 -6.914 1.00 30.03 C ATOM 26 C PHE A 268 -19.672 9.515 -7.676 1.00 33.39 C ATOM 27 O PHE A 268 -20.566 9.048 -8.378 1.00 34.59 O ATOM 28 CB PHE A 268 -17.462 8.365 -7.735 1.00 28.35 C ATOM 29 CG PHE A 268 -16.433 7.579 -6.960 1.00 29.05 C ATOM 30 CD1 PHE A 268 -15.732 8.164 -5.907 1.00 31.16 C ATOM 31 CD2 PHE A 268 -16.207 6.238 -7.240 1.00 30.79 C ATOM 32 CE1 PHE A 268 -14.785 7.433 -5.187 1.00 32.40 C ATOM 33 CE2 PHE A 268 -15.289 5.496 -6.487 1.00 33.96 C ATOM 34 CZ PHE A 268 -14.582 6.100 -5.469 1.00 31.83 C ATOM 35 H PHE A 268 -19.858 6.777 -7.265 1.00 0.00 H ATOM 36 N GLN A 269 -19.444 10.825 -7.547 1.00 29.85 N ATOM 37 CA GLN A 269 -20.249 11.833 -8.227 1.00 29.12 C ATOM 38 C GLN A 269 -19.332 12.765 -9.016 1.00 27.89 C ATOM 39 O GLN A 269 -18.122 12.763 -8.823 1.00 26.82 O ATOM 40 CB GLN A 269 -21.133 12.613 -7.218 1.00 33.31 C ATOM 41 CG GLN A 269 -22.275 11.792 -6.614 1.00 49.21 C ATOM 42 CD GLN A 269 -23.344 11.411 -7.621 1.00 73.43 C ATOM 43 OE1 GLN A 269 -24.056 12.264 -8.177 1.00 72.05 O ATOM 44 NE2 GLN A 269 -23.499 10.115 -7.856 1.00 57.81 N ATOM 45 HE22 GLN A 269 -22.889 9.423 -7.376 1.00 0.00 H ATOM 46 HE21 GLN A 269 -24.231 9.791 -8.520 1.00 0.00 H ATOM 47 H GLN A 269 -18.662 11.138 -6.938 1.00 0.00 H ATOM 48 N VAL A 270 -19.903 13.545 -9.934 1.00 26.04 N ATOM 49 CA VAL A 270 -19.104 14.469 -10.762 1.00 23.15 C ATOM 50 C VAL A 270 -18.328 15.421 -9.854 1.00 27.69 C ATOM 51 O VAL A 270 -18.878 15.949 -8.878 1.00 27.63 O ATOM 52 CB VAL A 270 -20.018 15.217 -11.768 1.00 26.62 C ATOM 53 CG1 VAL A 270 -19.304 16.390 -12.433 1.00 26.19 C ATOM 54 CG2 VAL A 270 -20.578 14.249 -12.813 1.00 25.16 C ATOM 55 H VAL A 270 -20.933 13.501 -10.069 1.00 0.00 H ATOM 56 N GLY A 271 -17.048 15.617 -10.165 1.00 22.86 N ATOM 57 CA GLY A 271 -16.185 16.481 -9.379 1.00 24.41 C ATOM 58 C GLY A 271 -15.391 15.744 -8.317 1.00 26.66 C ATOM 59 O GLY A 271 -14.467 16.327 -7.757 1.00 26.75 O ATOM 60 H GLY A 271 -16.653 15.136 -10.998 1.00 0.00 H ATOM 61 N ASP A 272 -15.736 14.469 -8.021 1.00 24.01 N ATOM 62 CA ASP A 272 -14.958 13.705 -7.037 1.00 24.54 C ATOM 63 C ASP A 272 -13.535 13.439 -7.576 1.00 25.83 C ATOM 64 O ASP A 272 -13.354 13.151 -8.772 1.00 24.13 O ATOM 65 CB ASP A 272 -15.613 12.361 -6.689 1.00 26.68 C ATOM 66 CG ASP A 272 -16.796 12.408 -5.729 1.00 31.36 C ATOM 67 OD1 ASP A 272 -16.947 13.420 -5.020 1.00 36.61 O ATOM 68 OD2 ASP A 272 -17.527 11.403 -5.647 1.00 32.36 O ATOM 69 H ASP A 272 -16.553 14.030 -8.491 1.00 0.00 H ATOM 70 N LEU A 273 -12.538 13.516 -6.685 1.00 23.36 N ATOM 71 CA LEU A 273 -11.158 13.204 -7.062 1.00 21.50 C ATOM 72 C LEU A 273 -10.930 11.716 -6.785 1.00 24.58 C ATOM 73 O LEU A 273 -11.308 11.203 -5.722 1.00 24.11 O ATOM 74 CB LEU A 273 -10.165 14.042 -6.240 1.00 22.62 C ATOM 75 CG LEU A 273 -10.195 15.563 -6.501 1.00 26.93 C ATOM 76 CD1 LEU A 273 -9.185 16.282 -5.627 1.00 29.29 C ATOM 77 CD2 LEU A 273 -9.939 15.884 -7.994 1.00 27.36 C ATOM 78 H LEU A 273 -12.748 13.803 -5.708 1.00 0.00 H ATOM 79 N VAL A 274 -10.347 11.020 -7.753 1.00 20.84 N ATOM 80 CA VAL A 274 -10.123 9.585 -7.617 1.00 20.46 C ATOM 81 C VAL A 274 -8.803 9.197 -8.209 1.00 22.94 C ATOM 82 O VAL A 274 -8.275 9.917 -9.055 1.00 21.89 O ATOM 83 CB VAL A 274 -11.244 8.744 -8.310 1.00 22.88 C ATOM 84 CG1 VAL A 274 -12.615 8.993 -7.680 1.00 23.51 C ATOM 85 CG2 VAL A 274 -11.289 8.983 -9.839 1.00 20.69 C ATOM 86 H VAL A 274 -10.045 11.505 -8.622 1.00 0.00 H ATOM 87 N TRP A 275 -8.330 8.011 -7.840 1.00 21.25 N ATOM 88 CA TRP A 275 -7.185 7.390 -8.479 1.00 20.62 C ATOM 89 C TRP A 275 -7.823 6.390 -9.426 1.00 22.98 C ATOM 90 O TRP A 275 -8.762 5.682 -9.013 1.00 24.06 O ATOM 91 CB TRP A 275 -6.349 6.568 -7.484 1.00 22.20 C ATOM 92 CG TRP A 275 -5.602 7.366 -6.464 1.00 23.62 C ATOM 93 CD1 TRP A 275 -5.976 7.604 -5.173 1.00 27.84 C ATOM 94 CD2 TRP A 275 -4.285 7.916 -6.611 1.00 23.52 C ATOM 95 NE1 TRP A 275 -4.970 8.265 -4.504 1.00 27.36 N ATOM 96 CE2 TRP A 275 -3.895 8.407 -5.342 1.00 28.33 C ATOM 97 CE3 TRP A 275 -3.327 7.885 -7.639 1.00 23.86 C ATOM 98 CZ2 TRP A 275 -2.638 8.985 -5.114 1.00 27.75 C ATOM 99 CZ3 TRP A 275 -2.086 8.482 -7.418 1.00 24.61 C ATOM 100 CH2 TRP A 275 -1.759 9.031 -6.169 1.00 26.38 C ATOM 101 HE1 TRP A 275 -5.018 8.602 -3.521 1.00 0.00 H ATOM 102 H TRP A 275 -8.800 7.507 -7.061 1.00 0.00 H ATOM 103 N SER A 276 -7.269 6.235 -10.637 1.00 19.52 N ATOM 104 CA SER A 276 -7.764 5.221 -11.586 1.00 19.95 C ATOM 105 C SER A 276 -6.600 4.358 -12.038 1.00 24.11 C ATOM 106 O SER A 276 -5.550 4.899 -12.361 1.00 23.35 O ATOM 107 CB SER A 276 -8.411 5.872 -12.806 1.00 23.71 C ATOM 108 OG SER A 276 -9.516 6.682 -12.428 1.00 22.73 O ATOM 109 HG SER A 276 -9.916 7.091 -13.236 1.00 0.00 H ATOM 110 H SER A 276 -6.472 6.844 -10.913 1.00 0.00 H ATOM 111 N LYS A 277 -6.814 3.036 -12.115 1.00 23.45 N ATOM 112 CA LYS A 277 -5.797 2.084 -12.598 1.00 24.77 C ATOM 113 C LYS A 277 -6.275 1.539 -13.935 1.00 29.22 C ATOM 114 O LYS A 277 -7.313 0.861 -13.990 1.00 29.85 O ATOM 115 CB LYS A 277 -5.566 0.952 -11.587 1.00 28.28 C ATOM 116 CG LYS A 277 -4.434 -0.011 -11.983 1.00 32.59 C ATOM 117 CD LYS A 277 -3.035 0.602 -11.853 1.00 37.60 C ATOM 118 CE LYS A 277 -1.923 -0.418 -12.064 1.00 40.55 C ATOM 119 NZ LYS A 277 -1.715 -0.737 -13.510 1.00 45.59 N ATOM 120 HZ1 LYS A 277 -2.593 -1.129 -13.907 1.00 0.00 H ATOM 121 HZ2 LYS A 277 -1.459 0.131 -14.022 1.00 0.00 H ATOM 122 HZ3 LYS A 277 -0.949 -1.435 -13.603 1.00 0.00 H ATOM 123 H LYS A 277 -7.740 2.665 -11.820 1.00 0.00 H ATOM 124 N VAL A 278 -5.596 1.914 -15.023 1.00 26.19 N ATOM 125 CA VAL A 278 -6.014 1.505 -16.374 1.00 27.42 C ATOM 126 C VAL A 278 -4.865 0.879 -17.162 1.00 30.76 C ATOM 127 O VAL A 278 -3.823 1.513 -17.333 1.00 29.68 O ATOM 128 CB VAL A 278 -6.639 2.682 -17.174 1.00 31.58 C ATOM 129 CG1 VAL A 278 -7.260 2.181 -18.488 1.00 34.14 C ATOM 130 CG2 VAL A 278 -7.679 3.442 -16.352 1.00 30.04 C ATOM 131 H VAL A 278 -4.751 2.510 -14.913 1.00 0.00 H ATOM 132 N GLY A 279 -5.105 -0.314 -17.698 1.00 30.85 N ATOM 133 CA GLY A 279 -4.147 -1.035 -18.530 1.00 31.68 C ATOM 134 C GLY A 279 -2.726 -1.046 -18.013 1.00 35.52 C ATOM 135 O GLY A 279 -2.467 -1.513 -16.900 1.00 36.43 O ATOM 136 H GLY A 279 -6.027 -0.758 -17.514 1.00 0.00 H ATOM 137 N THR A 280 -1.797 -0.527 -18.825 1.00 31.70 N ATOM 138 CA THR A 280 -0.368 -0.521 -18.499 1.00 31.80 C ATOM 139 C THR A 280 0.054 0.662 -17.635 1.00 33.07 C ATOM 140 O THR A 280 1.220 0.736 -17.250 1.00 32.64 O ATOM 141 CB THR A 280 0.475 -0.579 -19.781 1.00 38.08 C ATOM 142 OG1 THR A 280 0.238 0.611 -20.542 1.00 37.49 O ATOM 143 CG2 THR A 280 0.198 -1.807 -20.602 1.00 36.44 C ATOM 144 HG1 THR A 280 0.496 1.402 -20.005 1.00 0.00 H ATOM 145 H THR A 280 -2.103 -0.110 -19.727 1.00 0.00 H ATOM 146 N TYR A 281 -0.866 1.602 -17.366 1.00 28.00 N ATOM 147 CA TYR A 281 -0.558 2.815 -16.605 1.00 25.78 C ATOM 148 C TYR A 281 -0.573 2.601 -15.108 1.00 28.33 C ATOM 149 O TYR A 281 -1.367 1.804 -14.593 1.00 28.34 O ATOM 150 CB TYR A 281 -1.568 3.931 -16.969 1.00 26.24 C ATOM 151 CG TYR A 281 -1.481 4.326 -18.428 1.00 32.00 C ATOM 152 CD1 TYR A 281 -0.597 5.315 -18.852 1.00 35.80 C ATOM 153 CD2 TYR A 281 -2.275 3.703 -19.390 1.00 34.36 C ATOM 154 CE1 TYR A 281 -0.525 5.694 -20.191 1.00 39.25 C ATOM 155 CE2 TYR A 281 -2.178 4.043 -20.739 1.00 36.98 C ATOM 156 CZ TYR A 281 -1.318 5.054 -21.131 1.00 46.22 C ATOM 157 OH TYR A 281 -1.236 5.405 -22.457 1.00 50.22 O ATOM 158 HH TYR A 281 -0.580 6.138 -22.563 1.00 0.00 H ATOM 159 H TYR A 281 -1.837 1.463 -17.712 1.00 0.00 H ATOM 160 N PRO A 282 0.243 3.368 -14.370 1.00 26.53 N ATOM 161 CA PRO A 282 0.200 3.276 -12.905 1.00 26.38 C ATOM 162 C PRO A 282 -1.063 3.959 -12.371 1.00 26.51 C ATOM 163 O PRO A 282 -1.720 4.709 -13.130 1.00 24.09 O ATOM 164 CB PRO A 282 1.448 4.072 -12.474 1.00 28.86 C ATOM 165 CG PRO A 282 1.642 5.073 -13.545 1.00 32.26 C ATOM 166 CD PRO A 282 1.206 4.394 -14.824 1.00 28.78 C ATOM 167 N TRP A 283 -1.394 3.746 -11.068 1.00 25.18 N ATOM 168 CA TRP A 283 -2.539 4.456 -10.439 1.00 24.25 C ATOM 169 C TRP A 283 -2.364 5.934 -10.740 1.00 24.93 C ATOM 170 O TRP A 283 -1.278 6.489 -10.534 1.00 23.88 O ATOM 171 CB TRP A 283 -2.558 4.225 -8.927 1.00 24.96 C ATOM 172 CG TRP A 283 -3.060 2.859 -8.561 1.00 26.65 C ATOM 173 CD1 TRP A 283 -2.304 1.765 -8.252 1.00 31.40 C ATOM 174 CD2 TRP A 283 -4.435 2.452 -8.423 1.00 25.88 C ATOM 175 NE1 TRP A 283 -3.121 0.692 -7.953 1.00 32.72 N ATOM 176 CE2 TRP A 283 -4.433 1.091 -8.041 1.00 31.79 C ATOM 177 CE3 TRP A 283 -5.668 3.100 -8.595 1.00 25.34 C ATOM 178 CZ2 TRP A 283 -5.620 0.377 -7.802 1.00 32.13 C ATOM 179 CZ3 TRP A 283 -6.845 2.391 -8.366 1.00 26.68 C ATOM 180 CH2 TRP A 283 -6.814 1.045 -7.982 1.00 29.16 C ATOM 181 HE1 TRP A 283 -2.796 -0.263 -7.702 1.00 0.00 H ATOM 182 H TRP A 283 -0.836 3.075 -10.502 1.00 0.00 H ATOM 183 N TRP A 284 -3.417 6.552 -11.302 1.00 20.83 N ATOM 184 CA TRP A 284 -3.311 7.913 -11.818 1.00 19.87 C ATOM 185 C TRP A 284 -4.340 8.835 -11.221 1.00 21.41 C ATOM 186 O TRP A 284 -5.494 8.442 -11.103 1.00 21.44 O ATOM 187 CB TRP A 284 -3.513 7.858 -13.340 1.00 19.40 C ATOM 188 CG TRP A 284 -2.849 8.990 -14.050 1.00 19.65 C ATOM 189 CD1 TRP A 284 -3.320 10.266 -14.196 1.00 21.71 C ATOM 190 CD2 TRP A 284 -1.556 8.963 -14.659 1.00 20.94 C ATOM 191 NE1 TRP A 284 -2.383 11.041 -14.848 1.00 22.57 N ATOM 192 CE2 TRP A 284 -1.296 10.257 -15.156 1.00 25.51 C ATOM 193 CE3 TRP A 284 -0.603 7.950 -14.867 1.00 23.73 C ATOM 194 CZ2 TRP A 284 -0.109 10.574 -15.829 1.00 27.01 C ATOM 195 CZ3 TRP A 284 0.574 8.259 -15.533 1.00 27.38 C ATOM 196 CH2 TRP A 284 0.804 9.552 -16.029 1.00 28.57 C ATOM 197 HE1 TRP A 284 -2.482 12.052 -15.070 1.00 0.00 H ATOM 198 H TRP A 284 -4.325 6.050 -11.371 1.00 0.00 H ATOM 199 N PRO A 285 -3.973 10.089 -10.938 1.00 17.92 N ATOM 200 CA PRO A 285 -4.966 11.040 -10.373 1.00 17.79 C ATOM 201 C PRO A 285 -5.974 11.535 -11.416 1.00 21.38 C ATOM 202 O PRO A 285 -5.595 11.931 -12.519 1.00 20.65 O ATOM 203 CB PRO A 285 -4.087 12.184 -9.850 1.00 19.82 C ATOM 204 CG PRO A 285 -2.900 12.166 -10.742 1.00 23.35 C ATOM 205 CD PRO A 285 -2.622 10.702 -10.997 1.00 20.08 C ATOM 206 N CYS A 286 -7.267 11.529 -11.043 1.00 19.33 N ATOM 207 CA CYS A 286 -8.381 11.861 -11.955 1.00 18.16 C ATOM 208 C CYS A 286 -9.423 12.702 -11.268 1.00 20.08 C ATOM 209 O CYS A 286 -9.527 12.710 -10.046 1.00 20.02 O ATOM 210 CB CYS A 286 -9.062 10.587 -12.461 1.00 18.31 C ATOM 211 SG CYS A 286 -7.980 9.423 -13.305 1.00 21.80 S ATOM 212 H CYS A 286 -7.494 11.277 -10.060 1.00 0.00 H ATOM 213 N MET A 287 -10.355 13.179 -12.080 1.00 18.85 N ATOM 214 CA MET A 287 -11.597 13.817 -11.599 1.00 17.44 C ATOM 215 C MET A 287 -12.760 13.097 -12.291 1.00 19.57 C ATOM 216 O MET A 287 -12.721 12.927 -13.505 1.00 18.80 O ATOM 217 CB MET A 287 -11.649 15.296 -11.950 1.00 18.86 C ATOM 218 CG MET A 287 -12.906 15.925 -11.397 1.00 21.33 C ATOM 219 SD MET A 287 -13.124 17.682 -11.653 1.00 24.07 S ATOM 220 CE MET A 287 -13.338 17.767 -13.454 1.00 23.01 C ATOM 221 H MET A 287 -10.205 13.100 -13.106 1.00 0.00 H ATOM 222 N VAL A 288 -13.775 12.667 -11.523 1.00 17.89 N ATOM 223 CA VAL A 288 -14.964 12.033 -12.132 1.00 17.70 C ATOM 224 C VAL A 288 -15.722 13.121 -12.911 1.00 20.85 C ATOM 225 O VAL A 288 -15.874 14.258 -12.425 1.00 21.29 O ATOM 226 CB VAL A 288 -15.836 11.401 -11.008 1.00 23.35 C ATOM 227 CG1 VAL A 288 -17.154 10.840 -11.553 1.00 24.19 C ATOM 228 CG2 VAL A 288 -15.050 10.309 -10.283 1.00 23.44 C ATOM 229 H VAL A 288 -13.724 12.781 -10.491 1.00 0.00 H ATOM 230 N SER A 289 -16.244 12.760 -14.094 1.00 18.74 N ATOM 231 CA SER A 289 -16.938 13.740 -14.933 1.00 19.26 C ATOM 232 C SER A 289 -17.999 13.048 -15.772 1.00 22.94 C ATOM 233 O SER A 289 -17.968 11.818 -15.942 1.00 21.73 O ATOM 234 CB SER A 289 -15.935 14.419 -15.868 1.00 20.79 C ATOM 235 OG SER A 289 -15.486 13.529 -16.882 1.00 21.04 O ATOM 236 HG SER A 289 -14.840 13.997 -17.468 1.00 0.00 H ATOM 237 H SER A 289 -16.155 11.776 -14.418 1.00 0.00 H ATOM 238 N SER A 290 -18.912 13.855 -16.313 1.00 21.58 N ATOM 239 CA SER A 290 -19.958 13.329 -17.185 1.00 22.13 C ATOM 240 C SER A 290 -19.393 13.049 -18.586 1.00 25.91 C ATOM 241 O SER A 290 -18.640 13.861 -19.131 1.00 26.20 O ATOM 242 CB SER A 290 -21.113 14.321 -17.242 1.00 26.82 C ATOM 243 OG SER A 290 -22.154 13.784 -18.033 1.00 36.83 O ATOM 244 HG SER A 290 -22.905 14.428 -18.070 1.00 0.00 H ATOM 245 H SER A 290 -18.879 14.875 -16.111 1.00 0.00 H ATOM 246 N ASP A 291 -19.726 11.873 -19.162 1.00 24.48 N ATOM 247 CA ASP A 291 -19.251 11.520 -20.498 1.00 25.04 C ATOM 248 C ASP A 291 -19.873 12.547 -21.485 1.00 32.81 C ATOM 249 O ASP A 291 -21.055 12.855 -21.354 1.00 33.20 O ATOM 250 CB ASP A 291 -19.665 10.087 -20.858 1.00 26.70 C ATOM 251 CG ASP A 291 -19.299 9.665 -22.283 1.00 38.21 C ATOM 252 OD1 ASP A 291 -19.925 10.168 -23.225 1.00 42.71 O ATOM 253 OD2 ASP A 291 -18.426 8.792 -22.441 1.00 40.23 O ATOM 254 H ASP A 291 -20.333 11.206 -18.644 1.00 0.00 H ATOM 255 N PRO A 292 -19.093 13.091 -22.443 1.00 33.36 N ATOM 256 CA PRO A 292 -19.634 14.124 -23.347 1.00 36.53 C ATOM 257 C PRO A 292 -20.771 13.696 -24.286 1.00 44.15 C ATOM 258 O PRO A 292 -21.467 14.565 -24.820 1.00 47.31 O ATOM 259 CB PRO A 292 -18.404 14.552 -24.152 1.00 38.79 C ATOM 260 CG PRO A 292 -17.506 13.373 -24.134 1.00 41.34 C ATOM 261 CD PRO A 292 -17.662 12.845 -22.724 1.00 34.92 C ATOM 262 N GLN A 293 -20.945 12.380 -24.502 1.00 40.05 N ATOM 263 CA GLN A 293 -21.980 11.824 -25.390 1.00 43.10 C ATOM 264 C GLN A 293 -23.149 11.251 -24.596 1.00 46.37 C ATOM 265 O GLN A 293 -24.306 11.598 -24.866 1.00 48.14 O ATOM 266 CB GLN A 293 -21.387 10.727 -26.307 1.00 45.36 C ATOM 267 CG GLN A 293 -20.166 11.147 -27.140 1.00 61.19 C ATOM 268 CD GLN A 293 -20.388 12.403 -27.947 1.00 78.47 C ATOM 269 OE1 GLN A 293 -21.324 12.509 -28.752 1.00 79.81 O ATOM 270 NE2 GLN A 293 -19.533 13.389 -27.733 1.00 64.57 N ATOM 271 HE22 GLN A 293 -18.758 13.266 -27.050 1.00 0.00 H ATOM 272 HE21 GLN A 293 -19.635 14.287 -28.248 1.00 0.00 H ATOM 273 H GLN A 293 -20.311 11.716 -24.013 1.00 0.00 H ATOM 274 N LEU A 294 -22.846 10.364 -23.624 1.00 39.04 N ATOM 275 CA LEU A 294 -23.850 9.703 -22.791 1.00 38.97 C ATOM 276 C LEU A 294 -24.475 10.617 -21.757 1.00 41.88 C ATOM 277 O LEU A 294 -25.541 10.288 -21.238 1.00 43.09 O ATOM 278 CB LEU A 294 -23.272 8.448 -22.108 1.00 37.71 C ATOM 279 CG LEU A 294 -22.769 7.336 -23.035 1.00 42.87 C ATOM 280 CD1 LEU A 294 -21.900 6.346 -22.278 1.00 41.21 C ATOM 281 CD2 LEU A 294 -23.937 6.632 -23.763 1.00 47.42 C ATOM 282 H LEU A 294 -21.844 10.139 -23.459 1.00 0.00 H ATOM 283 N GLU A 295 -23.795 11.740 -21.422 1.00 35.66 N ATOM 284 CA GLU A 295 -24.259 12.730 -20.440 1.00 35.95 C ATOM 285 C GLU A 295 -24.545 12.118 -19.041 1.00 38.73 C ATOM 286 O GLU A 295 -25.425 12.593 -18.309 1.00 39.85 O ATOM 287 CB GLU A 295 -25.460 13.540 -20.974 1.00 39.82 C ATOM 288 CG GLU A 295 -25.149 14.317 -22.242 1.00 52.18 C ATOM 289 CD GLU A 295 -26.234 15.287 -22.671 1.00 75.08 C ATOM 290 OE1 GLU A 295 -27.392 14.848 -22.861 1.00 69.64 O ATOM 291 OE2 GLU A 295 -25.921 16.488 -22.831 1.00 70.19 O ATOM 292 H GLU A 295 -22.883 11.913 -21.891 1.00 0.00 H ATOM 293 N VAL A 296 -23.778 11.073 -18.689 1.00 32.38 N ATOM 294 CA VAL A 296 -23.776 10.357 -17.409 1.00 31.65 C ATOM 295 C VAL A 296 -22.306 10.184 -16.961 1.00 29.68 C ATOM 296 O VAL A 296 -21.412 10.095 -17.806 1.00 27.89 O ATOM 297 CB VAL A 296 -24.501 8.976 -17.434 1.00 37.38 C ATOM 298 CG1 VAL A 296 -25.994 9.122 -17.707 1.00 40.34 C ATOM 299 CG2 VAL A 296 -23.845 8.001 -18.414 1.00 36.70 C ATOM 300 H VAL A 296 -23.108 10.732 -19.407 1.00 0.00 H ATOM 301 N HIS A 297 -22.073 10.085 -15.656 1.00 26.56 N ATOM 302 CA HIS A 297 -20.709 9.887 -15.131 1.00 24.58 C ATOM 303 C HIS A 297 -20.481 8.436 -14.697 1.00 27.63 C ATOM 304 O HIS A 297 -19.382 8.063 -14.281 1.00 26.95 O ATOM 305 CB HIS A 297 -20.463 10.822 -13.939 1.00 24.93 C ATOM 306 CG HIS A 297 -21.215 10.450 -12.703 1.00 29.21 C ATOM 307 ND1 HIS A 297 -22.552 10.768 -12.554 1.00 33.12 N ATOM 308 CD2 HIS A 297 -20.784 9.825 -11.580 1.00 30.41 C ATOM 309 CE1 HIS A 297 -22.899 10.316 -11.357 1.00 33.88 C ATOM 310 NE2 HIS A 297 -21.866 9.745 -10.731 1.00 33.03 N ATOM 311 H HIS A 297 -22.870 10.149 -14.991 1.00 0.00 H ATOM 312 N THR A 298 -21.541 7.640 -14.720 1.00 26.78 N ATOM 313 CA THR A 298 -21.498 6.251 -14.307 1.00 26.08 C ATOM 314 C THR A 298 -22.458 5.433 -15.172 1.00 31.48 C ATOM 315 O THR A 298 -23.437 5.970 -15.705 1.00 31.06 O ATOM 316 CB THR A 298 -21.790 6.095 -12.801 1.00 32.32 C ATOM 317 OG1 THR A 298 -21.539 4.738 -12.445 1.00 30.48 O ATOM 318 CG2 THR A 298 -23.258 6.481 -12.413 1.00 33.37 C ATOM 319 HG1 THR A 298 -20.593 4.517 -12.636 1.00 0.00 H ATOM 320 H THR A 298 -22.447 8.031 -15.050 1.00 0.00 H ATOM 321 N LYS A 299 -22.142 4.148 -15.360 1.00 29.33 N ATOM 322 CA LYS A 299 -23.004 3.258 -16.165 1.00 30.58 C ATOM 323 C LYS A 299 -22.707 1.807 -15.864 1.00 34.20 C ATOM 324 O LYS A 299 -21.699 1.515 -15.226 1.00 34.11 O ATOM 325 CB LYS A 299 -22.792 3.522 -17.680 1.00 31.93 C ATOM 326 CG LYS A 299 -21.455 3.021 -18.203 1.00 31.36 C ATOM 327 CD LYS A 299 -21.228 3.343 -19.663 1.00 39.12 C ATOM 328 CE LYS A 299 -19.970 2.664 -20.137 1.00 39.21 C ATOM 329 NZ LYS A 299 -19.638 3.036 -21.533 1.00 43.89 N ATOM 330 HZ1 LYS A 299 -20.418 2.755 -22.160 1.00 0.00 H ATOM 331 HZ2 LYS A 299 -19.497 4.065 -21.592 1.00 0.00 H ATOM 332 HZ3 LYS A 299 -18.766 2.548 -21.822 1.00 0.00 H ATOM 333 H LYS A 299 -21.274 3.768 -14.932 1.00 0.00 H ATOM 334 N ILE A 300 -23.546 0.893 -16.384 1.00 31.75 N ATOM 335 CA ILE A 300 -23.283 -0.537 -16.295 1.00 31.24 C ATOM 336 C ILE A 300 -22.773 -0.902 -17.694 1.00 36.19 C ATOM 337 O ILE A 300 -23.428 -0.582 -18.696 1.00 36.91 O ATOM 338 CB ILE A 300 -24.558 -1.333 -15.888 1.00 37.39 C ATOM 339 CG1 ILE A 300 -25.176 -0.819 -14.554 1.00 39.07 C ATOM 340 CG2 ILE A 300 -24.293 -2.829 -15.859 1.00 38.56 C ATOM 341 CD1 ILE A 300 -24.288 -0.889 -13.273 1.00 45.50 C ATOM 342 H ILE A 300 -24.409 1.217 -16.865 1.00 0.00 H ATOM 343 N ASN A 301 -21.623 -1.568 -17.766 1.00 33.77 N ATOM 344 CA ASN A 301 -21.003 -1.905 -19.045 1.00 34.54 C ATOM 345 C ASN A 301 -21.630 -3.141 -19.693 1.00 39.66 C ATOM 346 O ASN A 301 -22.577 -3.739 -19.141 1.00 39.10 O ATOM 347 CB ASN A 301 -19.470 -2.011 -18.912 1.00 34.83 C ATOM 348 CG ASN A 301 -18.960 -3.176 -18.097 1.00 42.12 C ATOM 349 OD1 ASN A 301 -19.663 -4.158 -17.857 1.00 36.99 O ATOM 350 ND2 ASN A 301 -17.705 -3.102 -17.676 1.00 34.13 N ATOM 351 HD22 ASN A 301 -17.133 -2.261 -17.892 1.00 0.00 H ATOM 352 HD21 ASN A 301 -17.293 -3.885 -17.129 1.00 0.00 H ATOM 353 H ASN A 301 -21.152 -1.857 -16.885 1.00 0.00 H ATOM 354 N THR A 302 -21.090 -3.549 -20.860 1.00 38.14 N ATOM 355 CA THR A 302 -21.624 -4.693 -21.613 1.00 41.38 C ATOM 356 C THR A 302 -21.286 -6.056 -20.951 1.00 45.34 C ATOM 357 O THR A 302 -21.727 -7.097 -21.443 1.00 46.29 O ATOM 358 CB THR A 302 -21.227 -4.619 -23.093 1.00 53.87 C ATOM 359 OG1 THR A 302 -19.808 -4.590 -23.196 1.00 51.66 O ATOM 360 CG2 THR A 302 -21.837 -3.403 -23.805 1.00 52.77 C ATOM 361 HG1 THR A 302 -19.548 -4.542 -24.150 1.00 0.00 H ATOM 362 H THR A 302 -20.268 -3.037 -21.240 1.00 0.00 H ATOM 363 N ARG A 303 -20.528 -6.047 -19.830 1.00 40.67 N ATOM 364 CA ARG A 303 -20.242 -7.273 -19.064 1.00 42.42 C ATOM 365 C ARG A 303 -21.062 -7.276 -17.758 1.00 46.19 C ATOM 366 O ARG A 303 -20.971 -8.226 -16.975 1.00 48.00 O ATOM 367 CB ARG A 303 -18.736 -7.428 -18.779 1.00 44.92 C ATOM 368 CG ARG A 303 -17.963 -8.030 -19.944 1.00 64.22 C ATOM 369 CD ARG A 303 -16.467 -7.866 -19.741 1.00 83.33 C ATOM 370 NE ARG A 303 -15.708 -8.220 -20.940 1.00102.93 N ATOM 371 CZ ARG A 303 -14.386 -8.124 -21.051 1.00121.37 C ATOM 372 NH1 ARG A 303 -13.657 -7.680 -20.033 1.00107.14 N ATOM 373 NH2 ARG A 303 -13.782 -8.470 -22.180 1.00112.40 N ATOM 374 HE ARG A 303 -16.239 -8.571 -21.763 1.00 0.00 H ATOM 375 HH12 ARG A 303 -12.624 -7.607 -20.126 1.00 0.00 H ATOM 376 HH11 ARG A 303 -14.120 -7.405 -19.143 1.00 0.00 H ATOM 377 HH22 ARG A 303 -12.748 -8.393 -22.261 1.00 0.00 H ATOM 378 HH21 ARG A 303 -14.342 -8.818 -22.984 1.00 0.00 H ATOM 379 H ARG A 303 -20.134 -5.144 -19.498 1.00 0.00 H ATOM 380 N GLY A 304 -21.865 -6.224 -17.554 1.00 41.66 N ATOM 381 CA GLY A 304 -22.743 -6.080 -16.395 1.00 42.48 C ATOM 382 C GLY A 304 -22.086 -5.466 -15.170 1.00 44.57 C ATOM 383 O GLY A 304 -22.652 -5.521 -14.075 1.00 44.87 O ATOM 384 H GLY A 304 -21.864 -5.463 -18.263 1.00 0.00 H ATOM 385 N ALA A 305 -20.914 -4.838 -15.353 1.00 36.88 N ATOM 386 CA ALA A 305 -20.156 -4.213 -14.276 1.00 36.01 C ATOM 387 C ALA A 305 -20.286 -2.696 -14.309 1.00 37.58 C ATOM 388 O ALA A 305 -20.335 -2.121 -15.396 1.00 35.69 O ATOM 389 CB ALA A 305 -18.687 -4.586 -14.399 1.00 36.27 C ATOM 390 H ALA A 305 -20.525 -4.795 -16.317 1.00 0.00 H ATOM 391 N ARG A 306 -20.303 -2.040 -13.126 1.00 32.87 N ATOM 392 CA ARG A 306 -20.359 -0.580 -13.088 1.00 31.47 C ATOM 393 C ARG A 306 -19.022 0.052 -13.457 1.00 31.00 C ATOM 394 O ARG A 306 -17.972 -0.385 -12.988 1.00 30.40 O ATOM 395 CB ARG A 306 -20.784 -0.055 -11.708 1.00 33.89 C ATOM 396 CG ARG A 306 -20.960 1.461 -11.707 1.00 33.81 C ATOM 397 CD ARG A 306 -21.728 1.991 -10.516 1.00 39.35 C ATOM 398 NE ARG A 306 -23.108 1.500 -10.487 1.00 36.74 N ATOM 399 CZ ARG A 306 -24.111 1.999 -11.205 1.00 42.70 C ATOM 400 NH1 ARG A 306 -25.330 1.485 -11.097 1.00 38.78 N ATOM 401 NH2 ARG A 306 -23.898 3.001 -12.053 1.00 37.30 N ATOM 402 HE ARG A 306 -23.320 0.700 -9.857 1.00 0.00 H ATOM 403 HH12 ARG A 306 -26.112 1.878 -11.660 1.00 0.00 H ATOM 404 HH11 ARG A 306 -25.504 0.690 -10.450 1.00 0.00 H ATOM 405 HH22 ARG A 306 -24.686 3.386 -12.611 1.00 0.00 H ATOM 406 HH21 ARG A 306 -22.943 3.399 -12.158 1.00 0.00 H ATOM 407 H ARG A 306 -20.276 -2.579 -12.237 1.00 0.00 H ATOM 408 N GLU A 307 -19.081 1.152 -14.226 1.00 25.62 N ATOM 409 CA GLU A 307 -17.895 1.949 -14.565 1.00 23.47 C ATOM 410 C GLU A 307 -18.157 3.411 -14.222 1.00 26.49 C ATOM 411 O GLU A 307 -19.305 3.819 -14.082 1.00 27.06 O ATOM 412 CB GLU A 307 -17.560 1.825 -16.053 1.00 24.34 C ATOM 413 CG GLU A 307 -17.111 0.426 -16.481 1.00 27.54 C ATOM 414 CD GLU A 307 -16.817 0.322 -17.964 1.00 33.63 C ATOM 415 OE1 GLU A 307 -17.318 1.187 -18.715 1.00 33.63 O ATOM 416 OE2 GLU A 307 -16.193 -0.680 -18.389 1.00 34.17 O ATOM 417 H GLU A 307 -20.005 1.452 -14.597 1.00 0.00 H ATOM 418 N TYR A 308 -17.083 4.195 -14.124 1.00 21.83 N ATOM 419 CA TYR A 308 -17.161 5.631 -13.889 1.00 21.45 C ATOM 420 C TYR A 308 -16.369 6.299 -14.994 1.00 23.49 C ATOM 421 O TYR A 308 -15.362 5.760 -15.452 1.00 22.15 O ATOM 422 CB TYR A 308 -16.545 6.019 -12.538 1.00 21.51 C ATOM 423 CG TYR A 308 -17.355 5.505 -11.366 1.00 23.58 C ATOM 424 CD1 TYR A 308 -18.485 6.188 -10.921 1.00 26.36 C ATOM 425 CD2 TYR A 308 -17.061 4.281 -10.777 1.00 25.68 C ATOM 426 CE1 TYR A 308 -19.279 5.680 -9.888 1.00 31.10 C ATOM 427 CE2 TYR A 308 -17.820 3.783 -9.718 1.00 28.48 C ATOM 428 CZ TYR A 308 -18.932 4.483 -9.281 1.00 33.62 C ATOM 429 OH TYR A 308 -19.685 3.983 -8.250 1.00 36.13 O ATOM 430 HH TYR A 308 -20.041 3.094 -8.503 1.00 0.00 H ATOM 431 H TYR A 308 -16.143 3.760 -14.220 1.00 0.00 H ATOM 432 N HIS A 309 -16.828 7.476 -15.405 1.00 20.40 N ATOM 433 CA HIS A 309 -16.159 8.272 -16.412 1.00 18.92 C ATOM 434 C HIS A 309 -15.229 9.229 -15.694 1.00 20.33 C ATOM 435 O HIS A 309 -15.633 9.944 -14.763 1.00 19.13 O ATOM 436 CB HIS A 309 -17.164 9.045 -17.268 1.00 19.66 C ATOM 437 CG HIS A 309 -16.489 9.782 -18.367 1.00 21.64 C ATOM 438 ND1 HIS A 309 -16.107 11.107 -18.217 1.00 22.73 N ATOM 439 CD2 HIS A 309 -16.126 9.350 -19.599 1.00 23.82 C ATOM 440 CE1 HIS A 309 -15.542 11.446 -19.368 1.00 22.98 C ATOM 441 NE2 HIS A 309 -15.540 10.420 -20.237 1.00 23.85 N ATOM 442 H HIS A 309 -17.706 7.841 -14.985 1.00 0.00 H ATOM 443 N VAL A 310 -13.980 9.245 -16.140 1.00 17.62 N ATOM 444 CA VAL A 310 -12.977 10.087 -15.479 1.00 16.15 C ATOM 445 C VAL A 310 -12.191 10.901 -16.461 1.00 17.63 C ATOM 446 O VAL A 310 -11.935 10.465 -17.607 1.00 18.25 O ATOM 447 CB VAL A 310 -12.000 9.269 -14.587 1.00 18.46 C ATOM 448 CG1 VAL A 310 -12.730 8.451 -13.520 1.00 19.24 C ATOM 449 CG2 VAL A 310 -11.063 8.368 -15.434 1.00 17.90 C ATOM 450 H VAL A 310 -13.712 8.661 -16.958 1.00 0.00 H ATOM 451 N GLN A 311 -11.687 12.041 -15.961 1.00 17.21 N ATOM 452 CA GLN A 311 -10.689 12.820 -16.685 1.00 16.81 C ATOM 453 C GLN A 311 -9.363 12.547 -15.964 1.00 19.02 C ATOM 454 O GLN A 311 -9.310 12.676 -14.750 1.00 19.56 O ATOM 455 CB GLN A 311 -10.963 14.325 -16.537 1.00 18.47 C ATOM 456 CG GLN A 311 -12.311 14.752 -17.099 1.00 18.99 C ATOM 457 CD GLN A 311 -12.495 16.246 -17.115 1.00 24.14 C ATOM 458 OE1 GLN A 311 -13.435 16.727 -17.734 1.00 22.57 O ATOM 459 NE2 GLN A 311 -11.587 17.009 -16.497 1.00 23.29 N ATOM 460 HE22 GLN A 311 -10.801 16.566 -15.980 1.00 0.00 H ATOM 461 HE21 GLN A 311 -11.667 18.045 -16.533 1.00 0.00 H ATOM 462 H GLN A 311 -12.017 12.377 -15.034 1.00 0.00 H ATOM 463 N PHE A 312 -8.290 12.230 -16.687 1.00 17.11 N ATOM 464 CA PHE A 312 -6.977 12.064 -16.058 1.00 18.15 C ATOM 465 C PHE A 312 -6.368 13.447 -15.899 1.00 22.32 C ATOM 466 O PHE A 312 -6.444 14.246 -16.828 1.00 25.16 O ATOM 467 CB PHE A 312 -6.028 11.232 -16.964 1.00 19.86 C ATOM 468 CG PHE A 312 -6.508 9.804 -17.122 1.00 21.61 C ATOM 469 CD1 PHE A 312 -6.205 8.839 -16.165 1.00 24.51 C ATOM 470 CD2 PHE A 312 -7.316 9.443 -18.194 1.00 22.11 C ATOM 471 CE1 PHE A 312 -6.711 7.539 -16.283 1.00 24.64 C ATOM 472 CE2 PHE A 312 -7.811 8.146 -18.318 1.00 25.65 C ATOM 473 CZ PHE A 312 -7.520 7.205 -17.356 1.00 24.21 C ATOM 474 H PHE A 312 -8.386 12.098 -17.714 1.00 0.00 H ATOM 475 N PHE A 313 -5.736 13.748 -14.745 1.00 20.52 N ATOM 476 CA PHE A 313 -5.020 15.005 -14.618 1.00 21.01 C ATOM 477 C PHE A 313 -3.652 14.821 -15.292 1.00 26.75 C ATOM 478 O PHE A 313 -2.950 13.836 -15.026 1.00 25.28 O ATOM 479 CB PHE A 313 -4.771 15.361 -13.157 1.00 21.65 C ATOM 480 CG PHE A 313 -5.967 15.916 -12.455 1.00 20.89 C ATOM 481 CD1 PHE A 313 -6.429 17.196 -12.738 1.00 21.93 C ATOM 482 CD2 PHE A 313 -6.647 15.162 -11.507 1.00 22.03 C ATOM 483 CE1 PHE A 313 -7.554 17.709 -12.086 1.00 21.79 C ATOM 484 CE2 PHE A 313 -7.744 15.699 -10.818 1.00 23.67 C ATOM 485 CZ PHE A 313 -8.200 16.966 -11.121 1.00 19.95 C ATOM 486 H PHE A 313 -5.762 13.081 -13.948 1.00 0.00 H ATOM 487 N SER A 314 -3.281 15.775 -16.151 1.00 27.11 N ATOM 488 CA SER A 314 -2.020 15.777 -16.889 1.00 29.21 C ATOM 489 C SER A 314 -1.994 17.004 -17.787 1.00 37.83 C ATOM 490 O SER A 314 -2.986 17.731 -17.836 1.00 37.48 O ATOM 491 CB SER A 314 -1.906 14.538 -17.775 1.00 33.24 C ATOM 492 OG SER A 314 -3.024 14.429 -18.634 1.00 46.82 O ATOM 493 HG SER A 314 -3.074 15.231 -19.212 1.00 0.00 H ATOM 494 H SER A 314 -3.934 16.570 -16.305 1.00 0.00 H ATOM 495 N ASN A 315 -0.896 17.189 -18.558 1.00 37.35 N ATOM 496 CA ASN A 315 -0.808 18.280 -19.532 1.00 40.28 C ATOM 497 C ASN A 315 -1.727 18.021 -20.728 1.00 46.72 C ATOM 498 O ASN A 315 -2.413 18.939 -21.171 1.00 49.06 O ATOM 499 CB ASN A 315 0.638 18.500 -20.004 1.00 46.34 C ATOM 500 CG ASN A 315 1.451 19.424 -19.129 1.00 68.69 C ATOM 501 OD1 ASN A 315 0.928 20.287 -18.413 1.00 65.88 O ATOM 502 ND2 ASN A 315 2.761 19.271 -19.186 1.00 63.09 N ATOM 503 HD22 ASN A 315 3.173 18.537 -19.797 1.00 0.00 H ATOM 504 HD21 ASN A 315 3.381 19.885 -18.620 1.00 0.00 H ATOM 505 H ASN A 315 -0.092 16.538 -18.456 1.00 0.00 H ATOM 506 N GLN A 316 -1.774 16.774 -21.218 1.00 43.83 N ATOM 507 CA GLN A 316 -2.626 16.398 -22.351 1.00 44.93 C ATOM 508 C GLN A 316 -4.016 15.929 -21.863 1.00 44.41 C ATOM 509 O GLN A 316 -4.060 14.996 -21.056 1.00 41.66 O ATOM 510 CB GLN A 316 -1.946 15.325 -23.230 1.00 48.49 C ATOM 511 CG GLN A 316 -1.384 14.106 -22.474 1.00 66.98 C ATOM 512 CD GLN A 316 -0.750 13.099 -23.399 1.00 94.30 C ATOM 513 OE1 GLN A 316 0.264 13.369 -24.053 1.00 95.96 O ATOM 514 NE2 GLN A 316 -1.317 11.903 -23.452 1.00 85.73 N ATOM 515 HE22 GLN A 316 -2.170 11.706 -22.890 1.00 0.00 H ATOM 516 HE21 GLN A 316 -0.910 11.161 -24.056 1.00 0.00 H ATOM 517 H GLN A 316 -1.181 16.042 -20.776 1.00 0.00 H ATOM 518 N PRO A 317 -5.155 16.547 -22.288 1.00 38.81 N ATOM 519 CA PRO A 317 -6.465 16.065 -21.789 1.00 35.36 C ATOM 520 C PRO A 317 -6.718 14.636 -22.243 1.00 33.44 C ATOM 521 O PRO A 317 -6.505 14.312 -23.404 1.00 34.87 O ATOM 522 CB PRO A 317 -7.483 17.030 -22.415 1.00 38.85 C ATOM 523 CG PRO A 317 -6.694 18.178 -22.918 1.00 45.57 C ATOM 524 CD PRO A 317 -5.320 17.675 -23.226 1.00 42.67 C ATOM 525 N GLU A 318 -7.121 13.774 -21.315 1.00 26.54 N ATOM 526 CA GLU A 318 -7.400 12.363 -21.606 1.00 24.70 C ATOM 527 C GLU A 318 -8.574 11.957 -20.719 1.00 23.57 C ATOM 528 O GLU A 318 -8.681 12.443 -19.597 1.00 21.45 O ATOM 529 CB GLU A 318 -6.194 11.482 -21.229 1.00 26.19 C ATOM 530 CG GLU A 318 -4.973 11.637 -22.134 1.00 36.08 C ATOM 531 CD GLU A 318 -5.055 11.037 -23.527 1.00 53.12 C ATOM 532 OE1 GLU A 318 -6.103 10.452 -23.881 1.00 37.79 O ATOM 533 OE2 GLU A 318 -4.063 11.169 -24.276 1.00 50.40 O ATOM 534 H GLU A 318 -7.244 14.114 -20.340 1.00 0.00 H ATOM 535 N ARG A 319 -9.426 11.064 -21.205 1.00 21.88 N ATOM 536 CA ARG A 319 -10.572 10.600 -20.405 1.00 21.00 C ATOM 537 C ARG A 319 -10.739 9.119 -20.633 1.00 23.48 C ATOM 538 O ARG A 319 -10.221 8.580 -21.625 1.00 23.64 O ATOM 539 CB ARG A 319 -11.876 11.349 -20.809 1.00 23.62 C ATOM 540 CG ARG A 319 -12.110 11.327 -22.331 1.00 34.47 C ATOM 541 CD ARG A 319 -13.513 11.638 -22.787 1.00 54.30 C ATOM 542 NE ARG A 319 -14.352 10.442 -22.789 1.00 70.24 N ATOM 543 CZ ARG A 319 -15.172 10.088 -23.771 1.00 87.78 C ATOM 544 NH1 ARG A 319 -15.899 8.986 -23.668 1.00 81.52 N ATOM 545 NH2 ARG A 319 -15.261 10.827 -24.871 1.00 77.58 N ATOM 546 HE ARG A 319 -14.303 9.820 -21.957 1.00 0.00 H ATOM 547 HH12 ARG A 319 -16.540 8.712 -24.440 1.00 0.00 H ATOM 548 HH11 ARG A 319 -15.829 8.394 -22.816 1.00 0.00 H ATOM 549 HH22 ARG A 319 -15.905 10.544 -25.637 1.00 0.00 H ATOM 550 HH21 ARG A 319 -14.686 11.689 -24.967 1.00 0.00 H ATOM 551 H ARG A 319 -9.283 10.687 -22.163 1.00 0.00 H ATOM 552 N ALA A 320 -11.480 8.456 -19.736 1.00 19.81 N ATOM 553 CA ALA A 320 -11.797 7.049 -19.912 1.00 20.74 C ATOM 554 C ALA A 320 -12.943 6.621 -19.043 1.00 22.70 C ATOM 555 O ALA A 320 -13.204 7.219 -17.999 1.00 21.20 O ATOM 556 CB ALA A 320 -10.578 6.179 -19.581 1.00 22.04 C ATOM 557 H ALA A 320 -11.835 8.958 -18.897 1.00 0.00 H ATOM 558 N TRP A 321 -13.562 5.504 -19.442 1.00 20.77 N ATOM 559 CA TRP A 321 -14.536 4.783 -18.626 1.00 20.80 C ATOM 560 C TRP A 321 -13.687 3.756 -17.900 1.00 24.66 C ATOM 561 O TRP A 321 -12.943 3.007 -18.545 1.00 26.57 O ATOM 562 CB TRP A 321 -15.571 4.059 -19.497 1.00 21.84 C ATOM 563 CG TRP A 321 -16.682 4.977 -19.887 1.00 23.20 C ATOM 564 CD1 TRP A 321 -16.816 5.648 -21.069 1.00 27.15 C ATOM 565 CD2 TRP A 321 -17.760 5.407 -19.053 1.00 23.27 C ATOM 566 NE1 TRP A 321 -17.945 6.437 -21.037 1.00 27.76 N ATOM 567 CE2 TRP A 321 -18.530 6.327 -19.802 1.00 27.81 C ATOM 568 CE3 TRP A 321 -18.132 5.138 -17.722 1.00 24.71 C ATOM 569 CZ2 TRP A 321 -19.697 6.913 -19.294 1.00 28.00 C ATOM 570 CZ3 TRP A 321 -19.276 5.740 -17.218 1.00 26.74 C ATOM 571 CH2 TRP A 321 -20.046 6.609 -18.002 1.00 27.66 C ATOM 572 HE1 TRP A 321 -18.296 7.021 -21.822 1.00 0.00 H ATOM 573 H TRP A 321 -13.337 5.128 -20.385 1.00 0.00 H ATOM 574 N VAL A 322 -13.810 3.693 -16.580 1.00 21.29 N ATOM 575 CA VAL A 322 -12.996 2.789 -15.757 1.00 21.42 C ATOM 576 C VAL A 322 -13.891 1.962 -14.849 1.00 25.32 C ATOM 577 O VAL A 322 -14.785 2.509 -14.192 1.00 24.19 O ATOM 578 CB VAL A 322 -11.961 3.600 -14.895 1.00 23.99 C ATOM 579 CG1 VAL A 322 -11.026 2.658 -14.120 1.00 24.55 C ATOM 580 CG2 VAL A 322 -11.148 4.591 -15.737 1.00 23.80 C ATOM 581 H VAL A 322 -14.508 4.306 -16.112 1.00 0.00 H ATOM 582 N HIS A 323 -13.615 0.645 -14.771 1.00 24.99 N ATOM 583 CA HIS A 323 -14.347 -0.297 -13.909 1.00 25.48 C ATOM 584 C HIS A 323 -14.265 0.187 -12.455 1.00 27.81 C ATOM 585 O HIS A 323 -13.198 0.624 -12.017 1.00 26.84 O ATOM 586 CB HIS A 323 -13.694 -1.680 -14.021 1.00 26.99 C ATOM 587 CG HIS A 323 -14.485 -2.806 -13.418 1.00 32.57 C ATOM 588 ND1 HIS A 323 -14.608 -2.954 -12.048 1.00 35.64 N ATOM 589 CD2 HIS A 323 -15.109 -3.844 -14.021 1.00 36.62 C ATOM 590 CE1 HIS A 323 -15.329 -4.053 -11.862 1.00 37.25 C ATOM 591 NE2 HIS A 323 -15.663 -4.619 -13.017 1.00 38.19 N ATOM 592 H HIS A 323 -12.839 0.272 -15.354 1.00 0.00 H ATOM 593 N GLU A 324 -15.375 0.072 -11.703 1.00 27.57 N ATOM 594 CA GLU A 324 -15.449 0.494 -10.300 1.00 28.24 C ATOM 595 C GLU A 324 -14.340 -0.094 -9.426 1.00 32.99 C ATOM 596 O GLU A 324 -13.885 0.582 -8.509 1.00 33.54 O ATOM 597 CB GLU A 324 -16.832 0.187 -9.693 1.00 31.45 C ATOM 598 CG GLU A 324 -17.181 -1.296 -9.659 1.00 38.73 C ATOM 599 CD GLU A 324 -18.421 -1.664 -8.863 1.00 59.33 C ATOM 600 OE1 GLU A 324 -18.654 -2.877 -8.646 1.00 51.99 O ATOM 601 OE2 GLU A 324 -19.158 -0.738 -8.452 1.00 48.83 O ATOM 602 H GLU A 324 -16.225 -0.338 -12.140 1.00 0.00 H ATOM 603 N LYS A 325 -13.898 -1.342 -9.713 1.00 31.15 N ATOM 604 CA LYS A 325 -12.833 -1.995 -8.943 1.00 32.49 C ATOM 605 C LYS A 325 -11.470 -1.327 -9.122 1.00 33.93 C ATOM 606 O LYS A 325 -10.561 -1.583 -8.331 1.00 35.72 O ATOM 607 CB LYS A 325 -12.732 -3.481 -9.286 1.00 36.43 C ATOM 608 CG LYS A 325 -13.886 -4.314 -8.753 1.00 55.42 C ATOM 609 CD LYS A 325 -13.678 -5.782 -9.097 1.00 68.17 C ATOM 610 CE LYS A 325 -14.804 -6.657 -8.612 1.00 77.47 C ATOM 611 NZ LYS A 325 -14.444 -8.095 -8.696 1.00 91.98 N ATOM 612 HZ1 LYS A 325 -14.235 -8.342 -9.684 1.00 0.00 H ATOM 613 HZ2 LYS A 325 -13.606 -8.276 -8.107 1.00 0.00 H ATOM 614 HZ3 LYS A 325 -15.240 -8.671 -8.355 1.00 0.00 H ATOM 615 H LYS A 325 -14.329 -1.856 -10.508 1.00 0.00 H ATOM 616 N ARG A 326 -11.323 -0.479 -10.156 1.00 27.42 N ATOM 617 CA ARG A 326 -10.066 0.213 -10.447 1.00 25.73 C ATOM 618 C ARG A 326 -10.166 1.726 -10.211 1.00 26.84 C ATOM 619 O ARG A 326 -9.382 2.491 -10.774 1.00 25.40 O ATOM 620 CB ARG A 326 -9.628 -0.105 -11.875 1.00 26.89 C ATOM 621 CG ARG A 326 -9.076 -1.518 -12.042 1.00 34.54 C ATOM 622 CD ARG A 326 -9.536 -2.101 -13.365 1.00 50.82 C ATOM 623 NE ARG A 326 -10.157 -3.418 -13.189 1.00 70.10 N ATOM 624 CZ ARG A 326 -10.805 -4.079 -14.143 1.00 83.82 C ATOM 625 NH1 ARG A 326 -11.339 -5.266 -13.891 1.00 75.62 N ATOM 626 NH2 ARG A 326 -10.929 -3.555 -15.357 1.00 68.42 N ATOM 627 HE ARG A 326 -10.085 -3.866 -12.253 1.00 0.00 H ATOM 628 HH12 ARG A 326 -11.845 -5.779 -14.641 1.00 0.00 H ATOM 629 HH11 ARG A 326 -11.252 -5.685 -12.943 1.00 0.00 H ATOM 630 HH22 ARG A 326 -11.437 -4.077 -16.099 1.00 0.00 H ATOM 631 HH21 ARG A 326 -10.518 -2.623 -15.565 1.00 0.00 H ATOM 632 H ARG A 326 -12.139 -0.307 -10.777 1.00 0.00 H ATOM 633 N VAL A 327 -11.129 2.150 -9.378 1.00 25.21 N ATOM 634 CA VAL A 327 -11.340 3.561 -9.019 1.00 24.77 C ATOM 635 C VAL A 327 -11.325 3.638 -7.489 1.00 30.65 C ATOM 636 O VAL A 327 -12.004 2.848 -6.821 1.00 33.20 O ATOM 637 CB VAL A 327 -12.643 4.158 -9.633 1.00 28.31 C ATOM 638 CG1 VAL A 327 -12.844 5.599 -9.199 1.00 28.23 C ATOM 639 CG2 VAL A 327 -12.647 4.071 -11.165 1.00 26.75 C ATOM 640 H VAL A 327 -11.764 1.439 -8.962 1.00 0.00 H ATOM 641 N ARG A 328 -10.531 4.562 -6.937 1.00 26.64 N ATOM 642 CA ARG A 328 -10.394 4.736 -5.485 1.00 28.64 C ATOM 643 C ARG A 328 -10.485 6.200 -5.133 1.00 29.36 C ATOM 644 O ARG A 328 -9.958 7.022 -5.877 1.00 27.85 O ATOM 645 CB ARG A 328 -9.004 4.232 -4.997 1.00 31.18 C ATOM 646 CG ARG A 328 -8.704 2.746 -5.169 1.00 42.35 C ATOM 647 CD ARG A 328 -9.350 1.856 -4.115 1.00 52.22 C ATOM 648 NE ARG A 328 -8.985 0.454 -4.328 1.00 57.92 N ATOM 649 CZ ARG A 328 -9.605 -0.365 -5.173 1.00 70.99 C ATOM 650 NH1 ARG A 328 -9.189 -1.616 -5.319 1.00 57.63 N ATOM 651 NH2 ARG A 328 -10.650 0.061 -5.880 1.00 50.97 N ATOM 652 HE ARG A 328 -8.187 0.073 -3.781 1.00 0.00 H ATOM 653 HH12 ARG A 328 -9.677 -2.252 -5.981 1.00 0.00 H ATOM 654 HH11 ARG A 328 -8.375 -1.960 -4.771 1.00 0.00 H ATOM 655 HH22 ARG A 328 -11.130 -0.585 -6.539 1.00 0.00 H ATOM 656 HH21 ARG A 328 -10.986 1.039 -5.773 1.00 0.00 H ATOM 657 H ARG A 328 -9.985 5.186 -7.565 1.00 0.00 H ATOM 658 N GLU A 329 -11.084 6.550 -3.988 1.00 28.73 N ATOM 659 CA GLU A 329 -11.107 7.956 -3.567 1.00 28.25 C ATOM 660 C GLU A 329 -9.667 8.503 -3.471 1.00 31.05 C ATOM 661 O GLU A 329 -8.786 7.801 -2.977 1.00 32.19 O ATOM 662 CB GLU A 329 -11.835 8.113 -2.218 1.00 32.87 C ATOM 663 CG GLU A 329 -11.868 9.551 -1.711 1.00 40.19 C ATOM 664 CD GLU A 329 -12.542 9.774 -0.372 1.00 63.27 C ATOM 665 OE1 GLU A 329 -12.639 10.951 0.046 1.00 58.05 O ATOM 666 OE2 GLU A 329 -12.992 8.784 0.249 1.00 57.27 O ATOM 667 H GLU A 329 -11.534 5.824 -3.395 1.00 0.00 H ATOM 668 N TYR A 330 -9.430 9.716 -4.003 1.00 26.77 N ATOM 669 CA TYR A 330 -8.122 10.369 -3.932 1.00 26.75 C ATOM 670 C TYR A 330 -8.086 11.213 -2.675 1.00 32.14 C ATOM 671 O TYR A 330 -8.705 12.281 -2.631 1.00 31.09 O ATOM 672 CB TYR A 330 -7.876 11.272 -5.155 1.00 25.54 C ATOM 673 CG TYR A 330 -6.500 11.910 -5.182 1.00 25.09 C ATOM 674 CD1 TYR A 330 -6.273 13.160 -4.604 1.00 28.26 C ATOM 675 CD2 TYR A 330 -5.446 11.308 -5.865 1.00 25.69 C ATOM 676 CE1 TYR A 330 -5.009 13.754 -4.636 1.00 28.44 C ATOM 677 CE2 TYR A 330 -4.187 11.903 -5.926 1.00 26.03 C ATOM 678 CZ TYR A 330 -3.977 13.132 -5.323 1.00 31.00 C ATOM 679 OH TYR A 330 -2.728 13.692 -5.391 1.00 29.07 O ATOM 680 HH TYR A 330 -2.732 14.562 -4.919 1.00 0.00 H ATOM 681 H TYR A 330 -10.208 10.210 -4.485 1.00 0.00 H ATOM 682 N LYS A 331 -7.345 10.759 -1.668 1.00 31.36 N ATOM 683 CA LYS A 331 -7.204 11.513 -0.424 1.00 34.23 C ATOM 684 C LYS A 331 -5.912 12.344 -0.404 1.00 38.91 C ATOM 685 O LYS A 331 -5.808 13.295 0.365 1.00 40.56 O ATOM 686 CB LYS A 331 -7.298 10.583 0.804 1.00 39.47 C ATOM 687 CG LYS A 331 -8.684 9.963 0.980 1.00 58.68 C ATOM 688 CD LYS A 331 -8.763 9.034 2.186 1.00 76.29 C ATOM 689 CE LYS A 331 -9.001 7.586 1.815 1.00 90.81 C ATOM 690 NZ LYS A 331 -10.366 7.348 1.265 1.00 99.95 N ATOM 691 HZ1 LYS A 331 -11.076 7.616 1.976 1.00 0.00 H ATOM 692 HZ2 LYS A 331 -10.498 7.922 0.408 1.00 0.00 H ATOM 693 HZ3 LYS A 331 -10.472 6.341 1.029 1.00 0.00 H ATOM 694 H LYS A 331 -6.855 9.847 -1.768 1.00 0.00 H ATOM 695 N GLY A 332 -4.947 11.981 -1.244 1.00 33.56 N ATOM 696 CA GLY A 332 -3.657 12.665 -1.287 1.00 33.86 C ATOM 697 C GLY A 332 -2.622 11.874 -2.048 1.00 35.61 C ATOM 698 O GLY A 332 -2.733 10.651 -2.142 1.00 34.36 O ATOM 699 H GLY A 332 -5.116 11.185 -1.891 1.00 0.00 H ATOM 700 N HIS A 333 -1.598 12.559 -2.581 1.00 32.93 N ATOM 701 CA HIS A 333 -0.569 11.913 -3.396 1.00 32.30 C ATOM 702 C HIS A 333 0.200 10.805 -2.669 1.00 35.56 C ATOM 703 O HIS A 333 0.642 9.851 -3.307 1.00 33.62 O ATOM 704 CB HIS A 333 0.381 12.947 -3.999 1.00 33.77 C ATOM 705 CG HIS A 333 1.356 13.537 -3.025 1.00 39.98 C ATOM 706 ND1 HIS A 333 1.006 14.589 -2.202 1.00 43.67 N ATOM 707 CD2 HIS A 333 2.650 13.215 -2.800 1.00 44.19 C ATOM 708 CE1 HIS A 333 2.090 14.864 -1.487 1.00 45.51 C ATOM 709 NE2 HIS A 333 3.109 14.076 -1.823 1.00 46.54 N ATOM 710 H HIS A 333 -1.534 13.583 -2.409 1.00 0.00 H ATOM 711 N LYS A 334 0.337 10.910 -1.330 1.00 35.04 N ATOM 712 CA LYS A 334 1.070 9.910 -0.550 1.00 36.18 C ATOM 713 C LYS A 334 0.373 8.532 -0.475 1.00 40.12 C ATOM 714 O LYS A 334 1.008 7.555 -0.061 1.00 41.79 O ATOM 715 CB LYS A 334 1.415 10.448 0.849 1.00 40.95 C ATOM 716 CG LYS A 334 2.379 11.623 0.793 1.00 44.72 C ATOM 717 CD LYS A 334 2.678 12.171 2.193 1.00 56.62 C ATOM 718 CE LYS A 334 3.949 12.982 2.266 1.00 75.15 C ATOM 719 NZ LYS A 334 3.859 14.254 1.498 1.00 89.02 N ATOM 720 HZ1 LYS A 334 3.672 14.041 0.497 1.00 0.00 H ATOM 721 HZ2 LYS A 334 3.086 14.835 1.881 1.00 0.00 H ATOM 722 HZ3 LYS A 334 4.757 14.772 1.581 1.00 0.00 H ATOM 723 H LYS A 334 -0.089 11.722 -0.839 1.00 0.00 H ATOM 724 N GLN A 335 -0.909 8.443 -0.916 1.00 35.93 N ATOM 725 CA GLN A 335 -1.650 7.173 -0.947 1.00 36.08 C ATOM 726 C GLN A 335 -1.072 6.230 -1.975 1.00 38.42 C ATOM 727 O GLN A 335 -1.376 5.035 -1.934 1.00 39.62 O ATOM 728 CB GLN A 335 -3.110 7.408 -1.343 1.00 35.90 C ATOM 729 CG GLN A 335 -3.950 8.075 -0.288 1.00 41.26 C ATOM 730 CD GLN A 335 -5.355 8.075 -0.786 1.00 53.71 C ATOM 731 OE1 GLN A 335 -5.657 8.665 -1.825 1.00 37.69 O ATOM 732 NE2 GLN A 335 -6.221 7.344 -0.106 1.00 51.47 N ATOM 733 HE22 GLN A 335 -5.923 6.863 0.767 1.00 0.00 H ATOM 734 HE21 GLN A 335 -7.200 7.250 -0.443 1.00 0.00 H ATOM 735 H GLN A 335 -1.385 9.307 -1.245 1.00 0.00 H ATOM 736 N TYR A 336 -0.296 6.764 -2.944 1.00 34.38 N ATOM 737 CA TYR A 336 0.284 5.942 -4.011 1.00 34.09 C ATOM 738 C TYR A 336 0.948 4.669 -3.476 1.00 40.08 C ATOM 739 O TYR A 336 0.676 3.591 -3.997 1.00 39.31 O ATOM 740 CB TYR A 336 1.247 6.745 -4.905 1.00 34.08 C ATOM 741 CG TYR A 336 1.690 5.952 -6.117 1.00 33.59 C ATOM 742 CD1 TYR A 336 0.831 5.751 -7.197 1.00 32.30 C ATOM 743 CD2 TYR A 336 2.959 5.384 -6.179 1.00 35.45 C ATOM 744 CE1 TYR A 336 1.221 4.995 -8.301 1.00 33.07 C ATOM 745 CE2 TYR A 336 3.367 4.645 -7.288 1.00 36.26 C ATOM 746 CZ TYR A 336 2.493 4.452 -8.348 1.00 39.22 C ATOM 747 OH TYR A 336 2.881 3.723 -9.447 1.00 39.20 O ATOM 748 HH TYR A 336 3.117 2.804 -9.165 1.00 0.00 H ATOM 749 H TYR A 336 -0.105 7.786 -2.933 1.00 0.00 H ATOM 750 N GLU A 337 1.762 4.784 -2.408 1.00 42.32 N ATOM 751 CA GLU A 337 2.428 3.625 -1.788 1.00 46.12 C ATOM 752 C GLU A 337 1.437 2.527 -1.356 1.00 51.29 C ATOM 753 O GLU A 337 1.693 1.346 -1.608 1.00 51.77 O ATOM 754 CB GLU A 337 3.308 4.064 -0.611 1.00 50.94 C ATOM 755 CG GLU A 337 4.573 4.801 -1.025 1.00 66.71 C ATOM 756 CD GLU A 337 5.491 5.292 0.085 1.00 99.83 C ATOM 757 OE1 GLU A 337 5.341 4.845 1.247 1.00 97.20 O ATOM 758 OE2 GLU A 337 6.384 6.115 -0.220 1.00 97.35 O ATOM 759 H GLU A 337 1.927 5.729 -2.005 1.00 0.00 H ATOM 760 N GLU A 338 0.285 2.924 -0.767 1.00 48.61 N ATOM 761 CA GLU A 338 -0.777 2.009 -0.306 1.00 50.24 C ATOM 762 C GLU A 338 -1.454 1.303 -1.479 1.00 51.14 C ATOM 763 O GLU A 338 -1.913 0.172 -1.336 1.00 51.75 O ATOM 764 CB GLU A 338 -1.839 2.768 0.511 1.00 52.35 C ATOM 765 CG GLU A 338 -1.333 3.364 1.817 1.00 68.72 C ATOM 766 CD GLU A 338 -2.058 4.615 2.280 1.00 97.21 C ATOM 767 OE1 GLU A 338 -3.283 4.734 2.038 1.00 93.71 O ATOM 768 OE2 GLU A 338 -1.394 5.479 2.897 1.00 96.10 O ATOM 769 H GLU A 338 0.138 3.944 -0.630 1.00 0.00 H ATOM 770 N LEU A 339 -1.536 1.981 -2.631 1.00 43.15 N ATOM 771 CA LEU A 339 -2.147 1.414 -3.827 1.00 41.13 C ATOM 772 C LEU A 339 -1.265 0.330 -4.459 1.00 48.34 C ATOM 773 O LEU A 339 -1.782 -0.746 -4.783 1.00 47.97 O ATOM 774 CB LEU A 339 -2.527 2.514 -4.820 1.00 37.62 C ATOM 775 CG LEU A 339 -3.546 3.526 -4.300 1.00 40.68 C ATOM 776 CD1 LEU A 339 -3.599 4.750 -5.205 1.00 37.99 C ATOM 777 CD2 LEU A 339 -4.941 2.908 -4.161 1.00 43.48 C ATOM 778 H LEU A 339 -1.150 2.946 -2.674 1.00 0.00 H ATOM 779 N LEU A 340 0.067 0.577 -4.566 1.00 47.30 N ATOM 780 CA LEU A 340 1.022 -0.413 -5.097 1.00 50.36 C ATOM 781 C LEU A 340 0.963 -1.706 -4.290 1.00 57.69 C ATOM 782 O LEU A 340 0.981 -2.793 -4.871 1.00 57.46 O ATOM 783 CB LEU A 340 2.470 0.101 -5.058 1.00 52.22 C ATOM 784 CG LEU A 340 2.887 1.213 -6.006 1.00 55.53 C ATOM 785 CD1 LEU A 340 4.334 1.606 -5.731 1.00 57.83 C ATOM 786 CD2 LEU A 340 2.722 0.795 -7.475 1.00 56.87 C ATOM 787 H LEU A 340 0.428 1.503 -4.261 1.00 0.00 H ATOM 788 N ALA A 341 0.887 -1.571 -2.943 1.00 56.41 N ATOM 789 CA ALA A 341 0.795 -2.657 -1.970 1.00 58.88 C ATOM 790 C ALA A 341 -0.404 -3.584 -2.223 1.00 61.76 C ATOM 791 O ALA A 341 -0.313 -4.778 -1.931 1.00 64.55 O ATOM 792 CB ALA A 341 0.730 -2.087 -0.563 1.00 61.47 C ATOM 793 H ALA A 341 0.895 -0.602 -2.566 1.00 0.00 H ATOM 794 N GLU A 342 -1.510 -3.048 -2.777 1.00 54.68 N ATOM 795 CA GLU A 342 -2.714 -3.826 -3.096 1.00 73.40 C ATOM 796 C GLU A 342 -2.420 -4.835 -4.206 1.00 90.04 C ATOM 797 O GLU A 342 -2.955 -5.939 -4.184 1.00 60.78 O ATOM 798 CB GLU A 342 -3.877 -2.911 -3.520 1.00 71.71 C ATOM 799 CG GLU A 342 -4.478 -2.081 -2.397 1.00 82.97 C ATOM 800 CD GLU A 342 -5.613 -1.159 -2.807 1.00102.06 C ATOM 801 OE1 GLU A 342 -6.447 -1.568 -3.648 1.00 88.96 O ATOM 802 OE2 GLU A 342 -5.686 -0.035 -2.261 1.00 99.55 O ATOM 803 H GLU A 342 -1.511 -2.030 -2.990 1.00 0.00 H TER 804 GLU A 342 ATOM 805 N LYS A 355 12.072 -7.303 -1.110 1.00 86.03 N ATOM 806 CA LYS A 355 11.058 -6.537 -1.827 1.00 80.75 C ATOM 807 C LYS A 355 11.424 -6.353 -3.290 1.00 82.31 C ATOM 808 O LYS A 355 12.589 -6.118 -3.619 1.00 83.30 O ATOM 809 CB LYS A 355 10.842 -5.158 -1.178 1.00 81.37 C ATOM 810 CG LYS A 355 9.929 -5.174 0.044 1.00 98.39 C ATOM 811 CD LYS A 355 10.218 -4.007 0.990 1.00107.22 C ATOM 812 CE LYS A 355 11.255 -4.365 2.034 1.00122.17 C ATOM 813 NZ LYS A 355 11.708 -3.176 2.800 1.00131.13 N ATOM 814 HZ1 LYS A 355 12.129 -2.484 2.147 1.00 0.00 H ATOM 815 HZ2 LYS A 355 10.894 -2.746 3.284 1.00 0.00 H ATOM 816 HZ3 LYS A 355 12.417 -3.467 3.503 1.00 0.00 H ATOM 817 HN3 LYS A 355 12.982 -6.803 -1.160 1.00 0.00 H ATOM 818 HN2 LYS A 355 12.167 -8.243 -1.545 1.00 0.00 H ATOM 819 HN1 LYS A 355 11.787 -7.408 -0.115 1.00 0.00 H ATOM 820 N ILE A 356 10.418 -6.450 -4.167 1.00 75.98 N ATOM 821 CA ILE A 356 10.594 -6.251 -5.602 1.00 74.14 C ATOM 822 C ILE A 356 9.687 -5.115 -6.031 1.00 72.94 C ATOM 823 O ILE A 356 8.478 -5.155 -5.780 1.00 71.57 O ATOM 824 CB ILE A 356 10.369 -7.535 -6.467 1.00 78.73 C ATOM 825 CG1 ILE A 356 10.882 -8.824 -5.788 1.00 83.76 C ATOM 826 CG2 ILE A 356 11.004 -7.351 -7.839 1.00 79.98 C ATOM 827 CD1 ILE A 356 10.342 -10.170 -6.405 1.00 91.41 C ATOM 828 H ILE A 356 9.468 -6.677 -3.810 1.00 0.00 H ATOM 829 N ARG A 357 10.266 -4.089 -6.658 1.00 66.31 N ATOM 830 CA ARG A 357 9.493 -2.947 -7.132 1.00 61.95 C ATOM 831 C ARG A 357 9.783 -2.697 -8.599 1.00 61.69 C ATOM 832 O ARG A 357 10.901 -2.941 -9.064 1.00 63.89 O ATOM 833 CB ARG A 357 9.815 -1.676 -6.305 1.00 64.51 C ATOM 834 CG ARG A 357 9.391 -1.743 -4.835 1.00 84.71 C ATOM 835 CD ARG A 357 9.677 -0.447 -4.092 1.00104.26 C ATOM 836 NE ARG A 357 9.588 -0.615 -2.637 1.00120.08 N ATOM 837 CZ ARG A 357 9.994 0.285 -1.744 1.00137.49 C ATOM 838 NH1 ARG A 357 10.544 1.426 -2.141 1.00125.93 N ATOM 839 NH2 ARG A 357 9.877 0.040 -0.446 1.00125.68 N ATOM 840 HE ARG A 357 9.178 -1.501 -2.278 1.00 0.00 H ATOM 841 HH12 ARG A 357 10.859 2.124 -1.437 1.00 0.00 H ATOM 842 HH11 ARG A 357 10.660 1.622 -3.156 1.00 0.00 H ATOM 843 HH22 ARG A 357 10.196 0.747 0.247 1.00 0.00 H ATOM 844 HH21 ARG A 357 9.466 -0.859 -0.121 1.00 0.00 H ATOM 845 H ARG A 357 11.294 -4.104 -6.812 1.00 0.00 H ATOM 846 N LYS A 358 8.775 -2.215 -9.325 1.00 54.87 N ATOM 847 CA LYS A 358 8.921 -1.834 -10.721 1.00 53.22 C ATOM 848 C LYS A 358 9.633 -0.479 -10.765 1.00 56.20 C ATOM 849 O LYS A 358 9.340 0.366 -9.910 1.00 54.67 O ATOM 850 CB LYS A 358 7.555 -1.686 -11.383 1.00 52.11 C ATOM 851 CG LYS A 358 6.900 -2.984 -11.790 1.00 52.53 C ATOM 852 CD LYS A 358 5.724 -2.658 -12.681 1.00 49.23 C ATOM 853 CE LYS A 358 4.865 -3.856 -12.971 1.00 52.49 C ATOM 854 NZ LYS A 358 3.793 -3.513 -13.944 1.00 47.52 N ATOM 855 HZ1 LYS A 358 3.196 -2.759 -13.549 1.00 0.00 H ATOM 856 HZ2 LYS A 358 4.224 -3.186 -14.832 1.00 0.00 H ATOM 857 HZ3 LYS A 358 3.212 -4.356 -14.129 1.00 0.00 H ATOM 858 H LYS A 358 7.844 -2.107 -8.874 1.00 0.00 H ATOM 859 N PRO A 359 10.517 -0.194 -11.753 1.00 54.75 N ATOM 860 CA PRO A 359 11.102 1.158 -11.820 1.00 54.40 C ATOM 861 C PRO A 359 10.043 2.162 -12.278 1.00 57.10 C ATOM 862 O PRO A 359 8.978 1.771 -12.776 1.00 52.99 O ATOM 863 CB PRO A 359 12.212 1.028 -12.862 1.00 59.49 C ATOM 864 CG PRO A 359 11.798 -0.108 -13.720 1.00 64.80 C ATOM 865 CD PRO A 359 10.979 -1.043 -12.872 1.00 59.11 C ATOM 866 N ARG A 360 10.338 3.444 -12.106 1.00 56.89 N ATOM 867 CA ARG A 360 9.439 4.496 -12.531 1.00 55.89 C ATOM 868 C ARG A 360 10.030 5.123 -13.802 1.00 62.52 C ATOM 869 O ARG A 360 10.991 5.889 -13.697 1.00 62.14 O ATOM 870 CB ARG A 360 9.208 5.524 -11.403 1.00 58.40 C ATOM 871 CG ARG A 360 8.455 4.948 -10.196 1.00 71.86 C ATOM 872 CD ARG A 360 8.178 5.971 -9.102 1.00 88.04 C ATOM 873 NE ARG A 360 9.396 6.562 -8.537 1.00104.65 N ATOM 874 CZ ARG A 360 10.080 6.060 -7.513 1.00125.25 C ATOM 875 NH1 ARG A 360 11.170 6.674 -7.071 1.00114.45 N ATOM 876 NH2 ARG A 360 9.685 4.936 -6.927 1.00115.94 N ATOM 877 HE ARG A 360 9.751 7.439 -8.969 1.00 0.00 H ATOM 878 HH12 ARG A 360 11.701 6.277 -6.270 1.00 0.00 H ATOM 879 HH11 ARG A 360 11.493 7.552 -7.526 1.00 0.00 H ATOM 880 HH22 ARG A 360 10.225 4.549 -6.127 1.00 0.00 H ATOM 881 HH21 ARG A 360 8.836 4.442 -7.268 1.00 0.00 H ATOM 882 H ARG A 360 11.239 3.700 -11.654 1.00 0.00 H ATOM 883 N PRO A 361 9.531 4.749 -15.019 1.00 61.37 N ATOM 884 CA PRO A 361 10.077 5.355 -16.252 1.00 63.32 C ATOM 885 C PRO A 361 9.893 6.878 -16.230 1.00 65.17 C ATOM 886 O PRO A 361 8.780 7.356 -15.998 1.00 60.73 O ATOM 887 CB PRO A 361 9.274 4.685 -17.378 1.00 64.48 C ATOM 888 CG PRO A 361 8.045 4.166 -16.734 1.00 66.00 C ATOM 889 CD PRO A 361 8.410 3.831 -15.319 1.00 61.63 C ATOM 890 N GLN A 362 11.010 7.617 -16.394 1.00 64.35 N ATOM 891 CA GLN A 362 11.129 9.081 -16.345 1.00 63.87 C ATOM 892 C GLN A 362 10.049 9.856 -17.098 1.00 64.48 C ATOM 893 O GLN A 362 9.464 10.773 -16.515 1.00 61.75 O ATOM 894 CB GLN A 362 12.521 9.532 -16.820 1.00 69.29 C ATOM 895 CG GLN A 362 13.617 9.366 -15.770 1.00 88.76 C ATOM 896 CD GLN A 362 14.974 9.863 -16.224 1.00114.99 C ATOM 897 OE1 GLN A 362 15.236 10.081 -17.416 1.00112.84 O ATOM 898 NE2 GLN A 362 15.882 10.035 -15.275 1.00109.39 N ATOM 899 HE22 GLN A 362 15.638 9.846 -14.282 1.00 0.00 H ATOM 900 HE21 GLN A 362 16.838 10.359 -15.523 1.00 0.00 H ATOM 901 H GLN A 362 11.888 7.090 -16.576 1.00 0.00 H ATOM 902 N ARG A 363 9.793 9.502 -18.381 1.00 61.21 N ATOM 903 CA ARG A 363 8.795 10.166 -19.230 1.00 59.80 C ATOM 904 C ARG A 363 7.403 10.104 -18.597 1.00 58.11 C ATOM 905 O ARG A 363 6.716 11.126 -18.515 1.00 56.65 O ATOM 906 CB ARG A 363 8.796 9.568 -20.652 1.00 64.50 C ATOM 907 CG ARG A 363 7.903 10.308 -21.649 1.00 79.05 C ATOM 908 CD ARG A 363 8.030 9.733 -23.045 1.00 97.41 C ATOM 909 NE ARG A 363 7.085 10.349 -23.980 1.00109.74 N ATOM 910 CZ ARG A 363 6.992 10.039 -25.270 1.00128.44 C ATOM 911 NH1 ARG A 363 7.788 9.117 -25.799 1.00119.75 N ATOM 912 NH2 ARG A 363 6.103 10.649 -26.042 1.00115.18 N ATOM 913 HE ARG A 363 6.443 11.079 -23.610 1.00 0.00 H ATOM 914 HH12 ARG A 363 7.710 8.880 -26.809 1.00 0.00 H ATOM 915 HH11 ARG A 363 8.490 8.632 -25.204 1.00 0.00 H ATOM 916 HH22 ARG A 363 6.034 10.403 -27.050 1.00 0.00 H ATOM 917 HH21 ARG A 363 5.475 11.373 -25.639 1.00 0.00 H ATOM 918 H ARG A 363 10.335 8.714 -18.788 1.00 0.00 H ATOM 919 N GLU A 364 7.009 8.913 -18.126 1.00 51.49 N ATOM 920 CA GLU A 364 5.720 8.699 -17.475 1.00 47.49 C ATOM 921 C GLU A 364 5.704 9.361 -16.089 1.00 47.72 C ATOM 922 O GLU A 364 4.709 9.998 -15.744 1.00 45.06 O ATOM 923 CB GLU A 364 5.418 7.205 -17.383 1.00 48.40 C ATOM 924 CG GLU A 364 4.017 6.871 -16.907 1.00 53.07 C ATOM 925 CD GLU A 364 3.774 5.378 -16.931 1.00 64.82 C ATOM 926 OE1 GLU A 364 4.362 4.660 -16.087 1.00 48.86 O ATOM 927 OE2 GLU A 364 3.012 4.922 -17.813 1.00 53.00 O ATOM 928 H GLU A 364 7.652 8.102 -18.229 1.00 0.00 H ATOM 929 N ARG A 365 6.807 9.218 -15.314 1.00 44.76 N ATOM 930 CA ARG A 365 6.958 9.808 -13.979 1.00 43.56 C ATOM 931 C ARG A 365 6.775 11.327 -14.043 1.00 44.53 C ATOM 932 O ARG A 365 6.040 11.866 -13.213 1.00 40.25 O ATOM 933 CB ARG A 365 8.301 9.414 -13.337 1.00 47.62 C ATOM 934 CG ARG A 365 8.635 10.081 -11.988 1.00 60.52 C ATOM 935 CD ARG A 365 7.812 9.535 -10.833 1.00 74.42 C ATOM 936 NE ARG A 365 8.603 9.409 -9.607 1.00 86.81 N ATOM 937 CZ ARG A 365 8.377 10.091 -8.489 1.00 98.65 C ATOM 938 NH1 ARG A 365 9.145 9.905 -7.425 1.00 91.84 N ATOM 939 NH2 ARG A 365 7.376 10.962 -8.424 1.00 75.68 N ATOM 940 HE ARG A 365 9.398 8.738 -9.612 1.00 0.00 H ATOM 941 HH12 ARG A 365 8.964 10.441 -6.553 1.00 0.00 H ATOM 942 HH11 ARG A 365 9.929 9.223 -7.462 1.00 0.00 H ATOM 943 HH22 ARG A 365 7.205 11.493 -7.546 1.00 0.00 H ATOM 944 HH21 ARG A 365 6.764 11.113 -9.251 1.00 0.00 H ATOM 945 H ARG A 365 7.596 8.654 -15.689 1.00 0.00 H ATOM 946 N ALA A 366 7.391 11.996 -15.052 1.00 42.59 N ATOM 947 CA ALA A 366 7.249 13.447 -15.266 1.00 42.84 C ATOM 948 C ALA A 366 5.783 13.830 -15.514 1.00 43.35 C ATOM 949 O ALA A 366 5.299 14.790 -14.902 1.00 40.89 O ATOM 950 CB ALA A 366 8.111 13.905 -16.436 1.00 46.65 C ATOM 951 H ALA A 366 7.993 11.457 -15.706 1.00 0.00 H ATOM 952 N GLN A 367 5.065 13.066 -16.382 1.00 39.38 N ATOM 953 CA GLN A 367 3.650 13.314 -16.677 1.00 37.43 C ATOM 954 C GLN A 367 2.764 13.076 -15.441 1.00 35.88 C ATOM 955 O GLN A 367 1.842 13.847 -15.181 1.00 34.22 O ATOM 956 CB GLN A 367 3.153 12.461 -17.858 1.00 40.00 C ATOM 957 CG GLN A 367 3.718 12.858 -19.215 1.00 60.55 C ATOM 958 CD GLN A 367 2.883 12.290 -20.336 1.00 83.79 C ATOM 959 OE1 GLN A 367 2.856 11.078 -20.571 1.00 80.98 O ATOM 960 NE2 GLN A 367 2.172 13.156 -21.047 1.00 75.93 N ATOM 961 HE22 GLN A 367 2.216 14.171 -20.825 1.00 0.00 H ATOM 962 HE21 GLN A 367 1.571 12.820 -21.826 1.00 0.00 H ATOM 963 H GLN A 367 5.540 12.272 -16.857 1.00 0.00 H ATOM 964 N TRP A 368 3.068 12.021 -14.671 1.00 31.57 N ATOM 965 CA TRP A 368 2.343 11.682 -13.440 1.00 28.39 C ATOM 966 C TRP A 368 2.561 12.779 -12.378 1.00 29.06 C ATOM 967 O TRP A 368 1.594 13.202 -11.731 1.00 26.51 O ATOM 968 CB TRP A 368 2.843 10.319 -12.935 1.00 27.52 C ATOM 969 CG TRP A 368 2.110 9.785 -11.744 1.00 26.60 C ATOM 970 CD1 TRP A 368 1.054 8.920 -11.756 1.00 27.94 C ATOM 971 CD2 TRP A 368 2.486 9.944 -10.370 1.00 26.82 C ATOM 972 NE1 TRP A 368 0.710 8.580 -10.470 1.00 27.04 N ATOM 973 CE2 TRP A 368 1.581 9.187 -9.598 1.00 29.48 C ATOM 974 CE3 TRP A 368 3.521 10.636 -9.714 1.00 29.97 C ATOM 975 CZ2 TRP A 368 1.661 9.118 -8.198 1.00 29.53 C ATOM 976 CZ3 TRP A 368 3.597 10.578 -8.326 1.00 31.84 C ATOM 977 CH2 TRP A 368 2.684 9.818 -7.581 1.00 31.56 C ATOM 978 HE1 TRP A 368 -0.082 7.963 -10.200 1.00 0.00 H ATOM 979 H TRP A 368 3.859 11.411 -14.961 1.00 0.00 H ATOM 980 N ASP A 369 3.812 13.307 -12.265 1.00 27.17 N ATOM 981 CA ASP A 369 4.090 14.396 -11.324 1.00 26.93 C ATOM 982 C ASP A 369 3.252 15.622 -11.641 1.00 29.67 C ATOM 983 O ASP A 369 2.753 16.254 -10.720 1.00 28.61 O ATOM 984 CB ASP A 369 5.576 14.774 -11.304 1.00 31.72 C ATOM 985 CG ASP A 369 6.485 13.754 -10.640 1.00 39.87 C ATOM 986 OD1 ASP A 369 5.968 12.876 -9.902 1.00 34.68 O ATOM 987 OD2 ASP A 369 7.713 13.845 -10.833 1.00 46.95 O ATOM 988 H ASP A 369 4.581 12.932 -12.855 1.00 0.00 H ATOM 989 N ILE A 370 3.095 15.953 -12.939 1.00 28.53 N ATOM 990 CA ILE A 370 2.273 17.104 -13.358 1.00 29.14 C ATOM 991 C ILE A 370 0.811 16.831 -12.944 1.00 28.11 C ATOM 992 O ILE A 370 0.185 17.687 -12.314 1.00 27.95 O ATOM 993 CB ILE A 370 2.436 17.445 -14.875 1.00 34.15 C ATOM 994 CG1 ILE A 370 3.864 17.977 -15.179 1.00 38.38 C ATOM 995 CG2 ILE A 370 1.378 18.487 -15.340 1.00 35.33 C ATOM 996 CD1 ILE A 370 4.378 17.648 -16.579 1.00 52.10 C ATOM 997 H ILE A 370 3.568 15.379 -13.666 1.00 0.00 H ATOM 998 N GLY A 371 0.310 15.632 -13.242 1.00 25.15 N ATOM 999 CA GLY A 371 -1.045 15.232 -12.872 1.00 23.64 C ATOM 1000 C GLY A 371 -1.285 15.358 -11.380 1.00 26.58 C ATOM 1001 O GLY A 371 -2.294 15.912 -10.949 1.00 23.18 O ATOM 1002 H GLY A 371 0.907 14.955 -13.758 1.00 0.00 H ATOM 1003 N ILE A 372 -0.332 14.857 -10.576 1.00 23.33 N ATOM 1004 CA ILE A 372 -0.431 14.946 -9.122 1.00 23.43 C ATOM 1005 C ILE A 372 -0.456 16.409 -8.654 1.00 26.42 C ATOM 1006 O ILE A 372 -1.261 16.754 -7.788 1.00 26.28 O ATOM 1007 CB ILE A 372 0.747 14.153 -8.495 1.00 27.47 C ATOM 1008 CG1 ILE A 372 0.513 12.622 -8.644 1.00 27.38 C ATOM 1009 CG2 ILE A 372 0.982 14.552 -7.046 1.00 28.86 C ATOM 1010 CD1 ILE A 372 -0.666 12.020 -7.792 1.00 28.69 C ATOM 1011 H ILE A 372 0.497 14.394 -11.000 1.00 0.00 H ATOM 1012 N ALA A 373 0.378 17.271 -9.252 1.00 25.72 N ATOM 1013 CA ALA A 373 0.363 18.699 -8.884 1.00 26.92 C ATOM 1014 C ALA A 373 -1.031 19.317 -9.096 1.00 28.92 C ATOM 1015 O ALA A 373 -1.510 20.062 -8.231 1.00 30.02 O ATOM 1016 CB ALA A 373 1.416 19.461 -9.657 1.00 30.03 C ATOM 1017 H ALA A 373 1.039 16.931 -9.979 1.00 0.00 H ATOM 1018 N HIS A 374 -1.706 18.977 -10.220 1.00 23.41 N ATOM 1019 CA HIS A 374 -3.068 19.439 -10.459 1.00 22.95 C ATOM 1020 C HIS A 374 -4.027 18.850 -9.412 1.00 25.35 C ATOM 1021 O HIS A 374 -4.862 19.589 -8.883 1.00 26.78 O ATOM 1022 CB HIS A 374 -3.558 19.072 -11.858 1.00 22.43 C ATOM 1023 CG HIS A 374 -2.915 19.873 -12.945 1.00 25.74 C ATOM 1024 ND1 HIS A 374 -3.236 21.195 -13.145 1.00 28.54 N ATOM 1025 CD2 HIS A 374 -2.064 19.475 -13.921 1.00 28.04 C ATOM 1026 CE1 HIS A 374 -2.529 21.587 -14.195 1.00 29.94 C ATOM 1027 NE2 HIS A 374 -1.822 20.586 -14.708 1.00 29.54 N ATOM 1028 H HIS A 374 -1.242 18.373 -10.928 1.00 0.00 H ATOM 1029 N ALA A 375 -3.934 17.529 -9.131 1.00 22.99 N ATOM 1030 CA ALA A 375 -4.834 16.908 -8.169 1.00 22.96 C ATOM 1031 C ALA A 375 -4.659 17.508 -6.774 1.00 27.48 C ATOM 1032 O ALA A 375 -5.650 17.697 -6.068 1.00 28.24 O ATOM 1033 CB ALA A 375 -4.604 15.415 -8.121 1.00 23.17 C ATOM 1034 H ALA A 375 -3.212 16.951 -9.607 1.00 0.00 H ATOM 1035 N GLU A 376 -3.421 17.863 -6.409 1.00 25.97 N ATOM 1036 CA GLU A 376 -3.138 18.460 -5.110 1.00 27.15 C ATOM 1037 C GLU A 376 -3.750 19.862 -5.015 1.00 33.47 C ATOM 1038 O GLU A 376 -4.236 20.234 -3.948 1.00 36.54 O ATOM 1039 CB GLU A 376 -1.636 18.436 -4.796 1.00 29.85 C ATOM 1040 CG GLU A 376 -1.115 17.030 -4.492 1.00 30.54 C ATOM 1041 CD GLU A 376 -1.688 16.417 -3.227 1.00 43.05 C ATOM 1042 OE1 GLU A 376 -1.637 17.080 -2.165 1.00 39.19 O ATOM 1043 OE2 GLU A 376 -2.193 15.275 -3.298 1.00 35.12 O ATOM 1044 H GLU A 376 -2.636 17.708 -7.074 1.00 0.00 H ATOM 1045 N LYS A 377 -3.791 20.606 -6.141 1.00 28.69 N ATOM 1046 CA LYS A 377 -4.444 21.919 -6.174 1.00 29.71 C ATOM 1047 C LYS A 377 -5.971 21.722 -6.126 1.00 31.64 C ATOM 1048 O LYS A 377 -6.650 22.398 -5.356 1.00 32.69 O ATOM 1049 CB LYS A 377 -4.013 22.717 -7.413 1.00 34.12 C ATOM 1050 CG LYS A 377 -2.601 23.250 -7.308 1.00 51.89 C ATOM 1051 CD LYS A 377 -2.380 24.501 -8.139 1.00 68.18 C ATOM 1052 CE LYS A 377 -0.999 25.066 -7.889 1.00 85.54 C ATOM 1053 NZ LYS A 377 -0.833 26.424 -8.477 1.00 98.59 N ATOM 1054 HZ1 LYS A 377 -0.982 26.376 -9.505 1.00 0.00 H ATOM 1055 HZ2 LYS A 377 -1.529 27.071 -8.054 1.00 0.00 H ATOM 1056 HZ3 LYS A 377 0.128 26.770 -8.281 1.00 0.00 H ATOM 1057 H LYS A 377 -3.348 20.239 -7.007 1.00 0.00 H ATOM 1058 N ALA A 378 -6.500 20.733 -6.891 1.00 25.74 N ATOM 1059 CA ALA A 378 -7.926 20.400 -6.896 1.00 26.22 C ATOM 1060 C ALA A 378 -8.428 19.973 -5.509 1.00 29.89 C ATOM 1061 O ALA A 378 -9.568 20.277 -5.165 1.00 30.32 O ATOM 1062 CB ALA A 378 -8.201 19.297 -7.904 1.00 25.30 C ATOM 1063 H ALA A 378 -5.862 20.186 -7.503 1.00 0.00 H ATOM 1064 N LEU A 379 -7.590 19.270 -4.731 1.00 28.96 N ATOM 1065 CA LEU A 379 -7.918 18.833 -3.374 1.00 32.82 C ATOM 1066 C LEU A 379 -8.262 20.032 -2.462 1.00 38.27 C ATOM 1067 O LEU A 379 -9.066 19.884 -1.541 1.00 39.61 O ATOM 1068 CB LEU A 379 -6.717 18.099 -2.758 1.00 34.53 C ATOM 1069 CG LEU A 379 -6.865 16.629 -2.403 1.00 39.69 C ATOM 1070 CD1 LEU A 379 -5.752 16.223 -1.452 1.00 40.90 C ATOM 1071 CD2 LEU A 379 -8.237 16.303 -1.790 1.00 40.87 C ATOM 1072 H LEU A 379 -6.656 19.022 -5.114 1.00 0.00 H ATOM 1073 N LYS A 380 -7.653 21.210 -2.734 1.00 35.14 N ATOM 1074 CA LYS A 380 -7.827 22.471 -1.985 1.00 37.89 C ATOM 1075 C LYS A 380 -9.044 23.283 -2.456 1.00 40.90 C ATOM 1076 O LYS A 380 -9.351 24.341 -1.896 1.00 43.12 O ATOM 1077 CB LYS A 380 -6.551 23.308 -2.064 1.00 41.91 C ATOM 1078 CG LYS A 380 -5.389 22.738 -1.254 1.00 46.30 C ATOM 1079 CD LYS A 380 -4.112 23.526 -1.516 1.00 54.65 C ATOM 1080 CE LYS A 380 -2.882 22.841 -0.969 1.00 66.67 C ATOM 1081 NZ LYS A 380 -2.416 21.742 -1.858 1.00 74.09 N ATOM 1082 HZ1 LYS A 380 -3.170 21.032 -1.953 1.00 0.00 H ATOM 1083 HZ2 LYS A 380 -2.184 22.130 -2.794 1.00 0.00 H ATOM 1084 HZ3 LYS A 380 -1.570 21.299 -1.445 1.00 0.00 H ATOM 1085 H LYS A 380 -7.003 21.229 -3.545 1.00 0.00 H ATOM 1086 N MET A 381 -9.755 22.769 -3.468 1.00 35.06 N ATOM 1087 CA MET A 381 -10.939 23.427 -4.009 1.00 35.07 C ATOM 1088 C MET A 381 -12.200 22.724 -3.544 1.00 40.03 C ATOM 1089 O MET A 381 -12.172 21.541 -3.190 1.00 38.79 O ATOM 1090 CB MET A 381 -10.928 23.362 -5.553 1.00 35.12 C ATOM 1091 CG MET A 381 -9.746 24.006 -6.178 1.00 38.24 C ATOM 1092 SD MET A 381 -9.882 23.871 -7.953 1.00 39.69 S ATOM 1093 CE MET A 381 -8.245 24.366 -8.390 1.00 36.91 C ATOM 1094 H MET A 381 -9.451 21.866 -3.884 1.00 0.00 H ATOM 1095 N THR A 382 -13.331 23.436 -3.651 1.00 38.92 N ATOM 1096 CA THR A 382 -14.653 22.865 -3.408 1.00 39.25 C ATOM 1097 C THR A 382 -14.986 22.042 -4.668 1.00 38.21 C ATOM 1098 O THR A 382 -14.354 22.229 -5.720 1.00 35.73 O ATOM 1099 CB THR A 382 -15.711 23.976 -3.238 1.00 45.54 C ATOM 1100 OG1 THR A 382 -15.860 24.683 -4.470 1.00 42.99 O ATOM 1101 CG2 THR A 382 -15.386 24.958 -2.100 1.00 47.98 C ATOM 1102 HG1 THR A 382 -16.539 25.395 -4.360 1.00 0.00 H ATOM 1103 H THR A 382 -13.264 24.439 -3.919 1.00 0.00 H ATOM 1104 N ARG A 383 -15.986 21.149 -4.572 1.00 34.75 N ATOM 1105 CA ARG A 383 -16.433 20.344 -5.707 1.00 33.30 C ATOM 1106 C ARG A 383 -16.838 21.259 -6.889 1.00 36.01 C ATOM 1107 O ARG A 383 -16.395 21.027 -8.016 1.00 31.76 O ATOM 1108 CB ARG A 383 -17.597 19.430 -5.291 1.00 37.37 C ATOM 1109 CG ARG A 383 -18.046 18.501 -6.415 1.00 42.96 C ATOM 1110 CD ARG A 383 -18.753 17.255 -5.923 1.00 54.13 C ATOM 1111 NE ARG A 383 -20.139 17.527 -5.539 1.00 59.07 N ATOM 1112 CZ ARG A 383 -21.211 17.264 -6.286 1.00 65.11 C ATOM 1113 NH1 ARG A 383 -22.423 17.540 -5.831 1.00 46.04 N ATOM 1114 NH2 ARG A 383 -21.079 16.712 -7.488 1.00 39.72 N ATOM 1115 HE ARG A 383 -20.300 17.961 -4.608 1.00 0.00 H ATOM 1116 HH12 ARG A 383 -23.258 17.334 -6.416 1.00 0.00 H ATOM 1117 HH11 ARG A 383 -22.541 17.963 -4.888 1.00 0.00 H ATOM 1118 HH22 ARG A 383 -21.922 16.511 -8.063 1.00 0.00 H ATOM 1119 HH21 ARG A 383 -20.133 16.481 -7.853 1.00 0.00 H ATOM 1120 H ARG A 383 -16.460 21.026 -3.655 1.00 0.00 H ATOM 1121 N GLU A 384 -17.615 22.331 -6.605 1.00 34.90 N ATOM 1122 CA GLU A 384 -18.062 23.297 -7.616 1.00 35.21 C ATOM 1123 C GLU A 384 -16.862 23.981 -8.288 1.00 36.85 C ATOM 1124 O GLU A 384 -16.837 24.093 -9.516 1.00 34.20 O ATOM 1125 CB GLU A 384 -19.041 24.326 -7.004 1.00 40.15 C ATOM 1126 CG GLU A 384 -20.334 23.717 -6.475 1.00 53.34 C ATOM 1127 CD GLU A 384 -20.267 22.903 -5.190 1.00 81.50 C ATOM 1128 OE1 GLU A 384 -19.270 23.030 -4.440 1.00 61.83 O ATOM 1129 OE2 GLU A 384 -21.215 22.124 -4.940 1.00 85.13 O ATOM 1130 H GLU A 384 -17.911 22.478 -5.619 1.00 0.00 H ATOM 1131 N GLU A 385 -15.846 24.388 -7.490 1.00 34.79 N ATOM 1132 CA GLU A 385 -14.632 25.005 -8.024 1.00 33.86 C ATOM 1133 C GLU A 385 -13.883 24.072 -8.951 1.00 33.40 C ATOM 1134 O GLU A 385 -13.406 24.522 -9.985 1.00 32.67 O ATOM 1135 CB GLU A 385 -13.690 25.445 -6.916 1.00 35.97 C ATOM 1136 CG GLU A 385 -14.043 26.821 -6.382 1.00 45.28 C ATOM 1137 CD GLU A 385 -13.225 27.276 -5.194 1.00 58.80 C ATOM 1138 OE1 GLU A 385 -13.128 28.507 -4.993 1.00 61.94 O ATOM 1139 OE2 GLU A 385 -12.708 26.411 -4.449 1.00 45.35 O ATOM 1140 H GLU A 385 -15.932 24.257 -6.462 1.00 0.00 H ATOM 1141 N ARG A 386 -13.741 22.784 -8.566 1.00 28.93 N ATOM 1142 CA ARG A 386 -13.032 21.779 -9.372 1.00 26.44 C ATOM 1143 C ARG A 386 -13.761 21.603 -10.685 1.00 26.15 C ATOM 1144 O ARG A 386 -13.121 21.529 -11.727 1.00 25.73 O ATOM 1145 CB ARG A 386 -13.006 20.405 -8.677 1.00 27.72 C ATOM 1146 CG ARG A 386 -12.119 20.283 -7.472 1.00 35.36 C ATOM 1147 CD ARG A 386 -12.236 18.860 -6.950 1.00 29.64 C ATOM 1148 NE ARG A 386 -11.950 18.828 -5.519 1.00 43.43 N ATOM 1149 CZ ARG A 386 -12.731 18.255 -4.614 1.00 64.96 C ATOM 1150 NH1 ARG A 386 -13.845 17.634 -4.985 1.00 44.16 N ATOM 1151 NH2 ARG A 386 -12.392 18.272 -3.332 1.00 61.08 N ATOM 1152 HE ARG A 386 -11.076 19.285 -5.188 1.00 0.00 H ATOM 1153 HH12 ARG A 386 -14.454 17.186 -4.270 1.00 0.00 H ATOM 1154 HH11 ARG A 386 -14.109 17.595 -5.990 1.00 0.00 H ATOM 1155 HH22 ARG A 386 -13.008 17.821 -2.625 1.00 0.00 H ATOM 1156 HH21 ARG A 386 -11.511 18.736 -3.033 1.00 0.00 H ATOM 1157 H ARG A 386 -14.152 22.490 -7.657 1.00 0.00 H ATOM 1158 N ILE A 387 -15.103 21.491 -10.633 1.00 24.60 N ATOM 1159 CA ILE A 387 -15.912 21.330 -11.855 1.00 25.31 C ATOM 1160 C ILE A 387 -15.694 22.526 -12.789 1.00 29.48 C ATOM 1161 O ILE A 387 -15.465 22.331 -13.981 1.00 28.86 O ATOM 1162 CB ILE A 387 -17.408 21.105 -11.507 1.00 28.94 C ATOM 1163 CG1 ILE A 387 -17.571 19.742 -10.777 1.00 27.41 C ATOM 1164 CG2 ILE A 387 -18.301 21.160 -12.762 1.00 30.89 C ATOM 1165 CD1 ILE A 387 -19.029 19.497 -10.162 1.00 32.24 C ATOM 1166 H ILE A 387 -15.579 21.519 -9.709 1.00 0.00 H ATOM 1167 N GLU A 388 -15.762 23.752 -12.254 1.00 29.15 N ATOM 1168 CA GLU A 388 -15.549 24.934 -13.084 1.00 31.91 C ATOM 1169 C GLU A 388 -14.118 24.959 -13.667 1.00 34.82 C ATOM 1170 O GLU A 388 -13.949 25.208 -14.860 1.00 35.72 O ATOM 1171 CB GLU A 388 -15.842 26.216 -12.282 1.00 36.10 C ATOM 1172 CG GLU A 388 -15.958 27.480 -13.125 1.00 49.03 C ATOM 1173 CD GLU A 388 -17.324 27.743 -13.744 1.00 74.29 C ATOM 1174 OE1 GLU A 388 -18.038 28.643 -13.243 1.00 81.45 O ATOM 1175 OE2 GLU A 388 -17.683 27.053 -14.728 1.00 59.55 O ATOM 1176 H GLU A 388 -15.968 23.863 -11.241 1.00 0.00 H ATOM 1177 N GLN A 389 -13.114 24.641 -12.833 1.00 29.22 N ATOM 1178 CA GLN A 389 -11.707 24.733 -13.167 1.00 28.82 C ATOM 1179 C GLN A 389 -11.215 23.682 -14.133 1.00 31.31 C ATOM 1180 O GLN A 389 -10.367 23.982 -14.976 1.00 30.72 O ATOM 1181 CB GLN A 389 -10.879 24.658 -11.869 1.00 31.05 C ATOM 1182 CG GLN A 389 -9.370 24.831 -12.027 1.00 44.14 C ATOM 1183 CD GLN A 389 -8.873 26.213 -11.675 1.00 63.68 C ATOM 1184 OE1 GLN A 389 -9.636 27.114 -11.291 1.00 56.35 O ATOM 1185 NE2 GLN A 389 -7.566 26.395 -11.780 1.00 57.13 N ATOM 1186 HE22 GLN A 389 -6.957 25.617 -12.105 1.00 0.00 H ATOM 1187 HE21 GLN A 389 -7.148 27.316 -11.537 1.00 0.00 H ATOM 1188 H GLN A 389 -13.364 24.305 -11.881 1.00 0.00 H ATOM 1189 N TYR A 390 -11.734 22.449 -14.020 1.00 25.77 N ATOM 1190 CA TYR A 390 -11.152 21.338 -14.769 1.00 24.20 C ATOM 1191 C TYR A 390 -12.020 20.646 -15.789 1.00 27.24 C ATOM 1192 O TYR A 390 -11.450 19.951 -16.630 1.00 26.83 O ATOM 1193 CB TYR A 390 -10.638 20.275 -13.793 1.00 23.39 C ATOM 1194 CG TYR A 390 -9.556 20.783 -12.865 1.00 25.67 C ATOM 1195 CD1 TYR A 390 -8.247 20.952 -13.314 1.00 27.20 C ATOM 1196 CD2 TYR A 390 -9.838 21.093 -11.541 1.00 28.84 C ATOM 1197 CE1 TYR A 390 -7.248 21.411 -12.462 1.00 27.93 C ATOM 1198 CE2 TYR A 390 -8.844 21.546 -10.677 1.00 30.97 C ATOM 1199 CZ TYR A 390 -7.551 21.711 -11.145 1.00 33.03 C ATOM 1200 OH TYR A 390 -6.571 22.168 -10.294 1.00 36.00 O ATOM 1201 HH TYR A 390 -5.713 22.228 -10.783 1.00 0.00 H ATOM 1202 H TYR A 390 -12.551 22.285 -13.398 1.00 0.00 H ATOM 1203 N THR A 391 -13.363 20.801 -15.749 1.00 23.29 N ATOM 1204 CA THR A 391 -14.193 20.051 -16.705 1.00 23.22 C ATOM 1205 C THR A 391 -13.819 20.381 -18.136 1.00 28.37 C ATOM 1206 O THR A 391 -13.882 21.553 -18.542 1.00 29.94 O ATOM 1207 CB THR A 391 -15.698 20.265 -16.477 1.00 27.67 C ATOM 1208 OG1 THR A 391 -15.998 19.991 -15.114 1.00 26.66 O ATOM 1209 CG2 THR A 391 -16.539 19.363 -17.366 1.00 27.72 C ATOM 1210 HG1 THR A 391 -15.480 20.603 -14.534 1.00 0.00 H ATOM 1211 H THR A 391 -13.801 21.439 -15.055 1.00 0.00 H ATOM 1212 N PHE A 392 -13.424 19.354 -18.896 1.00 24.34 N ATOM 1213 CA PHE A 392 -13.038 19.564 -20.294 1.00 25.59 C ATOM 1214 C PHE A 392 -14.168 20.095 -21.169 1.00 30.80 C ATOM 1215 O PHE A 392 -15.351 19.889 -20.880 1.00 27.86 O ATOM 1216 CB PHE A 392 -12.545 18.246 -20.914 1.00 26.30 C ATOM 1217 CG PHE A 392 -11.370 17.554 -20.270 1.00 25.11 C ATOM 1218 CD1 PHE A 392 -10.335 18.284 -19.700 1.00 28.52 C ATOM 1219 CD2 PHE A 392 -11.227 16.173 -20.362 1.00 26.11 C ATOM 1220 CE1 PHE A 392 -9.234 17.633 -19.119 1.00 27.87 C ATOM 1221 CE2 PHE A 392 -10.126 15.527 -19.796 1.00 27.66 C ATOM 1222 CZ PHE A 392 -9.144 16.258 -19.173 1.00 25.68 C ATOM 1223 H PHE A 392 -13.390 18.397 -18.491 1.00 0.00 H ATOM 1224 N ILE A 393 -13.775 20.804 -22.251 1.00 30.52 N ATOM 1225 CA ILE A 393 -14.652 21.316 -23.290 1.00 33.13 C ATOM 1226 C ILE A 393 -14.433 20.358 -24.470 1.00 36.92 C ATOM 1227 O ILE A 393 -13.287 20.041 -24.809 1.00 37.36 O ATOM 1228 CB ILE A 393 -14.299 22.792 -23.641 1.00 39.08 C ATOM 1229 CG1 ILE A 393 -14.559 23.710 -22.419 1.00 40.66 C ATOM 1230 CG2 ILE A 393 -15.087 23.273 -24.878 1.00 43.18 C ATOM 1231 CD1 ILE A 393 -13.876 25.113 -22.464 1.00 52.22 C ATOM 1232 H ILE A 393 -12.758 21.000 -22.348 1.00 0.00 H ATOM 1233 N TYR A 394 -15.520 19.845 -25.021 1.00 34.10 N ATOM 1234 CA TYR A 394 -15.495 18.892 -26.127 1.00 35.81 C ATOM 1235 C TYR A 394 -15.985 19.567 -27.402 1.00 42.01 C ATOM 1236 O TYR A 394 -17.018 20.238 -27.378 1.00 42.29 O ATOM 1237 CB TYR A 394 -16.350 17.662 -25.791 1.00 35.55 C ATOM 1238 CG TYR A 394 -15.794 16.854 -24.639 1.00 33.86 C ATOM 1239 CD1 TYR A 394 -14.872 15.832 -24.859 1.00 34.92 C ATOM 1240 CD2 TYR A 394 -16.162 17.132 -23.324 1.00 32.70 C ATOM 1241 CE1 TYR A 394 -14.338 15.099 -23.801 1.00 33.39 C ATOM 1242 CE2 TYR A 394 -15.632 16.405 -22.256 1.00 30.91 C ATOM 1243 CZ TYR A 394 -14.745 15.366 -22.503 1.00 34.93 C ATOM 1244 OH TYR A 394 -14.219 14.625 -21.463 1.00 30.24 O ATOM 1245 HH TYR A 394 -14.955 14.190 -20.964 1.00 0.00 H ATOM 1246 H TYR A 394 -16.445 20.137 -24.645 1.00 0.00 H ATOM 1247 N ILE A 395 -15.228 19.410 -28.504 1.00 41.52 N ATOM 1248 CA ILE A 395 -15.529 20.042 -29.800 1.00 44.82 C ATOM 1249 C ILE A 395 -15.660 19.009 -30.922 1.00 51.11 C ATOM 1250 O ILE A 395 -14.730 18.235 -31.171 1.00 50.92 O ATOM 1251 CB ILE A 395 -14.502 21.172 -30.136 1.00 50.07 C ATOM 1252 CG1 ILE A 395 -14.280 22.115 -28.911 1.00 49.58 C ATOM 1253 CG2 ILE A 395 -14.936 21.956 -31.387 1.00 54.20 C ATOM 1254 CD1 ILE A 395 -13.089 23.017 -28.962 1.00 65.64 C ATOM 1255 H ILE A 395 -14.382 18.808 -28.436 1.00 0.00 H ATOM 1256 N ASP A 396 -16.822 19.015 -31.601 1.00 49.47 N ATOM 1257 CA ASP A 396 -17.145 18.124 -32.714 1.00 75.21 C ATOM 1258 C ASP A 396 -16.384 18.528 -33.969 1.00103.11 C ATOM 1259 O ASP A 396 -15.487 17.807 -34.397 1.00 65.91 O ATOM 1260 CB ASP A 396 -18.661 18.118 -32.981 1.00 78.59 C ATOM 1261 CG ASP A 396 -19.501 17.622 -31.815 1.00 85.93 C ATOM 1262 OD1 ASP A 396 -19.190 16.531 -31.275 1.00 83.15 O ATOM 1263 OD2 ASP A 396 -20.477 18.313 -31.452 1.00 92.81 O ATOM 1264 H ASP A 396 -17.544 19.705 -31.312 1.00 0.00 H TER 1265 ASP A 396 HETATM 1266 O HOH 1 -17.761 16.330 -18.791 1.00 26.08 O HETATM 1267 O HOH 2 -15.232 15.266 -19.017 1.00 23.06 O HETATM 1268 O HOH 3 -4.348 23.056 -11.439 1.00 36.40 O HETATM 1269 O HOH 4 -17.408 1.025 -21.372 1.00 47.79 O HETATM 1270 O HOH 5 5.227 2.430 -9.503 1.00 44.59 O HETATM 1271 O HOH 6 -8.896 20.407 -17.304 1.00 30.40 O HETATM 1272 O HOH 7 -25.565 1.003 -18.350 1.00 51.51 O HETATM 1273 O HOH 8 0.303 21.513 -6.884 1.00 36.24 O HETATM 1274 O HOH 9 -13.863 -1.876 -17.793 1.00 52.49 O HETATM 1275 O HOH 10 7.200 0.940 -8.390 1.00 42.61 O HETATM 1276 O HOH 11 -10.924 13.371 -1.575 1.00 48.33 O HETATM 1277 O HOH 12 -18.909 1.637 -7.181 1.00 47.00 O HETATM 1278 O HOH 13 3.467 2.082 -17.908 1.00 54.66 O HETATM 1279 O HOH 14 -16.796 17.522 -14.362 1.00 34.62 O HETATM 1280 O HOH 15 -1.572 15.397 -0.051 1.00 39.45 O HETATM 1281 O HOH 16 7.021 16.735 -14.154 1.00 40.67 O HETATM 1282 O HOH 17 -1.978 -1.894 -7.228 1.00 41.37 O HETATM 1283 O HOH 18 -15.840 23.421 -18.727 1.00 36.63 O HETATM 1284 O HOH 19 1.641 2.935 -20.564 1.00 52.36 O HETATM 1285 O HOH 20 -8.966 5.834 -1.114 1.00 44.19 O HETATM 1286 O HOH 21 -20.048 -3.802 -10.786 1.00 44.28 O HETATM 1287 O HOH 22 0.501 18.723 -1.834 1.00 49.73 O HETATM 1288 O HOH 23 -19.148 24.832 -10.743 1.00 54.28 O HETATM 1289 O HOH 24 8.854 15.756 -12.396 1.00 50.83 O HETATM 1290 O HOH 25 -16.355 -1.825 -20.853 1.00 48.99 O HETATM 1291 O HOH 26 -10.604 1.609 -18.494 1.00 42.52 O HETATM 1292 O HOH 27 1.216 15.412 -17.329 1.00 48.26 O HETATM 1293 O HOH 28 -7.575 14.079 2.295 1.00 61.13 O HETATM 1294 O HOH 29 3.285 9.779 -4.007 1.00 51.33 O HETATM 1295 O HOH 30 -14.828 2.002 -6.367 1.00 49.97 O HETATM 1296 O HOH 31 -6.520 25.104 -4.958 1.00 52.95 O HETATM 1297 O HOH 32 -8.249 4.056 -21.664 1.00 40.68 O HETATM 1298 O HOH 33 -3.418 19.107 -1.589 1.00 39.62 O HETATM 1299 O HOH 34 -21.840 -1.272 -8.162 1.00 60.71 O HETATM 1300 O HOH 35 -18.890 6.881 -24.365 1.00 52.62 O HETATM 1301 O HOH 36 -9.068 -0.036 -15.911 1.00 51.18 O HETATM 1302 O HOH 37 -3.929 15.124 1.278 1.00 48.68 O HETATM 1303 O HOH 38 -7.495 -1.735 -17.754 1.00 42.08 O HETATM 1304 O HOH 39 -13.568 11.218 -4.079 1.00 37.59 O HETATM 1305 O HOH 40 -4.009 4.345 -14.713 1.00 24.62 O HETATM 1306 O HOH 41 -5.817 16.797 -17.819 1.00 37.60 O HETATM 1307 O HOH 42 7.163 4.731 -5.707 1.00 49.02 O HETATM 1308 O HOH 43 -11.842 15.876 -1.966 1.00 46.04 O HETATM 1309 O HOH 44 -22.697 13.746 -10.193 1.00 36.33 O HETATM 1310 O HOH 45 -8.329 23.099 -16.707 1.00 37.34 O HETATM 1311 O HOH 46 -5.730 24.764 -13.170 1.00 41.60 O HETATM 1312 O HOH 47 3.845 16.459 -8.126 1.00 37.19 O HETATM 1313 O HOH 48 -23.577 -1.218 -21.449 1.00 48.71 O HETATM 1314 O HOH 49 -18.744 16.669 -16.042 1.00 26.48 O HETATM 1315 O HOH 50 -11.675 -0.525 -16.502 1.00 34.52 O HETATM 1316 O HOH 51 2.451 0.479 -14.676 1.00 44.33 O HETATM 1317 O HOH 52 -13.134 14.293 -3.991 1.00 37.65 O HETATM 1318 O HOH 53 -22.052 2.811 -23.072 1.00 53.29 O HETATM 1319 O HOH 54 -10.447 6.029 -22.925 1.00 47.77 O HETATM 1320 O HOH 55 6.288 -1.771 -7.954 1.00 43.15 O HETATM 1321 O HOH 56 -17.519 21.781 -20.615 1.00 49.81 O HETATM 1322 O HOH 57 -3.833 -2.480 -14.459 1.00 43.90 O HETATM 1323 O HOH 58 -14.011 0.675 -19.911 1.00 53.51 O HETATM 1324 O HOH 59 -9.020 10.575 -24.047 1.00 33.11 O HETATM 1325 O HOH 60 -16.993 -7.165 -12.521 1.00 46.15 O HETATM 1326 O HOH 61 0.564 1.908 -9.917 1.00 33.29 O HETATM 1327 O HOH 62 -20.740 -11.141 -17.151 1.00 44.37 O HETATM 1328 O HOH 63 -19.569 -8.532 -14.420 1.00 51.59 O HETATM 1329 O HOH 64 -0.724 12.897 0.546 1.00 35.81 O HETATM 1330 O HOH 65 -5.075 2.173 -21.420 1.00 38.49 O HETATM 1331 O HOH 66 -12.799 4.547 -22.131 1.00 34.79 O HETATM 1332 O HOH 67 -9.001 16.711 -15.083 1.00 24.04 O HETATM 1333 O HOH 68 -23.103 16.209 -19.470 1.00 48.37 O HETATM 1334 O HOH 69 -16.129 -5.570 -16.963 1.00 41.68 O HETATM 1335 O HOH 70 4.798 13.974 -7.348 1.00 45.11 O HETATM 1336 O HOH 71 -12.611 4.418 -2.462 1.00 38.87 O HETATM 1337 O HOH 72 -2.883 0.415 -21.528 1.00 38.69 O HETATM 1338 O HOH 73 7.638 6.501 -19.922 1.00 46.22 O HETATM 1339 O HOH 74 -4.066 21.321 -22.337 1.00 58.45 O HETATM 1340 O HOH 75 -19.310 -1.266 -22.116 1.00 37.54 O HETATM 1341 O HOH 76 5.818 2.062 -12.395 1.00 61.31 O HETATM 1342 O HOH 77 -20.247 -8.528 -23.890 1.00 69.03 O HETATM 1343 O HOH 78 -16.358 14.897 -33.370 1.00 47.54 O HETATM 1344 O HOH 79 2.600 17.123 0.591 1.00 65.52 O HETATM 1345 O HOH 80 6.961 14.302 2.521 1.00 49.55 O HETATM 1346 O HOH 81 8.015 2.191 -6.156 1.00 54.09 O HETATM 1347 O HOH 82 -25.008 0.104 -7.990 1.00 78.58 O HETATM 1348 O HOH 83 -13.779 2.418 -3.888 1.00 57.32 O HETATM 1349 O HOH 84 4.539 7.731 -2.686 1.00 82.49 O HETATM 1350 O HOH 85 2.753 17.224 -3.860 1.00 61.23 O HETATM 1351 O HOH 86 -21.526 0.178 -22.752 1.00 42.77 O HETATM 1352 O HOH 87 -21.661 14.237 -4.402 1.00 55.59 O HETATM 1353 O HOH 88 5.860 -1.332 -16.087 1.00 52.01 O HETATM 1354 O HOH 89 -17.048 27.738 -8.744 1.00 53.99 O HETATM 1355 O HOH 90 2.705 18.246 -6.394 1.00 63.55 O HETATM 1356 O HOH 91 1.346 -0.325 -11.226 1.00 55.58 O HETATM 1357 O HOH 92 -22.088 7.424 -1.674 1.00 50.38 O HETATM 1358 O HOH 93 0.300 -1.893 -8.715 1.00 56.50 O HETATM 1359 O HOH 94 4.551 12.342 -5.162 1.00 58.06 O HETATM 1360 O HOH 95 -20.011 27.242 -9.895 1.00 52.07 O HETATM 1361 O HOH 96 -6.767 -0.506 -21.579 1.00 61.49 O HETATM 1362 O HOH 97 -11.520 -11.214 -8.505 1.00 54.09 O HETATM 1363 O HOH 98 7.220 -5.545 -15.511 1.00 31.99 O HETATM 1364 O HOH 99 -23.326 -2.827 -9.852 1.00 53.90 O HETATM 1365 O HOH 100 -4.887 2.985 -24.084 1.00 53.20 O HETATM 1366 O HOH 101 -4.449 -2.441 -21.975 1.00 48.93 O HETATM 1367 N1 EHE A 102 -4.300 7.612 -20.691 1.00 -0.14 N HETATM 1368 C4 EHE A 102 -3.699 7.795 -19.534 1.00 0.10 C HETATM 1369 C5 EHE A 102 -3.886 6.875 -18.466 1.00 -0.01 C HETATM 1370 C6 EHE A 102 -4.697 5.788 -18.696 1.00 0.01 C HETATM 1371 C3 EHE A 102 -5.293 5.651 -19.980 1.00 0.22 C HETATM 1372 N2 EHE A 102 -5.064 6.590 -20.934 1.00 -0.14 N HETATM 1373 C7 EHE A 102 -5.684 6.467 -22.277 1.00 0.11 C HETATM 1374 C11 EHE A 102 -6.999 7.269 -22.309 1.00 0.02 C HETATM 1375 C15 EHE A 102 -7.645 7.251 -23.706 1.00 -0.03 C HETATM 1376 N10 EHE A 102 -6.686 7.712 -24.726 1.00 0.23 N HETATM 1377 C14 EHE A 102 -5.472 6.877 -24.761 1.00 -0.03 C HETATM 1378 C12 EHE A 102 -4.739 6.920 -23.408 1.00 0.02 C HETATM 1379 H16 EHE A 102 -3.868 6.249 -23.445 1.00 0.04 H HETATM 1380 H17 EHE A 102 -4.402 7.948 -23.210 1.00 0.04 H HETATM 1381 H19 EHE A 102 -4.800 7.251 -25.547 1.00 0.08 H HETATM 1382 H20 EHE A 102 -5.755 5.838 -24.985 1.00 0.08 H HETATM 1383 H14 EHE A 102 -6.421 8.662 -24.518 1.00 0.20 H HETATM 1384 H15 EHE A 102 -7.131 7.677 -25.630 1.00 0.20 H HETATM 1385 H6 EHE A 102 -8.522 7.915 -23.708 1.00 0.08 H HETATM 1386 H7 EHE A 102 -7.962 6.225 -23.945 1.00 0.08 H HETATM 1387 H11 EHE A 102 -6.787 8.311 -22.028 1.00 0.04 H HETATM 1388 H12 EHE A 102 -7.702 6.830 -21.586 1.00 0.04 H HETATM 1389 H2 EHE A 102 -5.922 5.406 -22.445 1.00 0.07 H HETATM 1390 O8 EHE A 102 -6.019 4.682 -20.202 1.00 -0.42 O HETATM 1391 H1 EHE A 102 -4.878 5.051 -17.915 1.00 0.05 H HETATM 1392 C13 EHE A 102 -3.238 7.081 -17.119 1.00 -0.02 C HETATM 1393 H3 EHE A 102 -2.634 8.000 -17.140 1.00 0.04 H HETATM 1394 H4 EHE A 102 -2.591 6.222 -16.888 1.00 0.04 H HETATM 1395 H5 EHE A 102 -4.017 7.171 -16.347 1.00 0.04 H HETATM 1396 C9 EHE A 102 -2.847 8.996 -19.370 1.00 -0.00 C HETATM 1397 C17 EHE A 102 -1.457 8.876 -19.272 1.00 -0.06 C HETATM 1398 C18 EHE A 102 -0.676 10.016 -19.144 1.00 -0.06 C HETATM 1399 C20 EHE A 102 -1.264 11.269 -19.118 1.00 -0.06 C HETATM 1400 C19 EHE A 102 -2.639 11.382 -19.199 1.00 -0.06 C HETATM 1401 C16 EHE A 102 -3.432 10.255 -19.318 1.00 -0.06 C HETATM 1402 H13 EHE A 102 -4.510 10.354 -19.371 1.00 0.06 H HETATM 1403 H18 EHE A 102 -3.100 12.363 -19.169 1.00 0.06 H HETATM 1404 H9 EHE A 102 -0.649 12.158 -19.035 1.00 0.06 H HETATM 1405 H10 EHE A 102 0.401 9.925 -19.064 1.00 0.06 H HETATM 1406 H8 EHE A 102 -0.992 7.897 -19.296 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 805 806 817 818 819 CONECT 817 805 CONECT 818 805 CONECT 819 805 CONECT 1367 1368 1372 CONECT 1368 1367 1369 1396 CONECT 1369 1368 1370 1392 CONECT 1370 1369 1371 1391 CONECT 1371 1370 1372 1390 CONECT 1372 1367 1371 1373 CONECT 1373 1372 1374 1378 1389 CONECT 1374 1373 1375 1387 1388 CONECT 1375 1374 1376 1385 1386 CONECT 1376 1375 1377 1383 1384 CONECT 1377 1376 1378 1381 1382 CONECT 1378 1373 1377 1379 1380 CONECT 1379 1378 CONECT 1380 1378 CONECT 1381 1377 CONECT 1382 1377 CONECT 1383 1376 CONECT 1384 1376 CONECT 1385 1375 CONECT 1386 1375 CONECT 1387 1374 CONECT 1388 1374 CONECT 1389 1373 CONECT 1390 1371 CONECT 1391 1370 CONECT 1392 1369 1393 1394 1395 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1392 CONECT 1396 1368 1397 1401 CONECT 1397 1396 1398 1406 CONECT 1398 1397 1399 1405 CONECT 1399 1398 1400 1404 CONECT 1400 1399 1401 1403 CONECT 1401 1396 1400 1402 CONECT 1402 1401 CONECT 1403 1400 CONECT 1404 1399 CONECT 1405 1398 CONECT 1406 1397 MASTER 0 0 0 0 0 0 0 0 1404 2 48 10 END
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Related entries of code: 6g27
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Protein Sequence Similarity
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RCSB PDB
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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
6g27
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone-lysine N-methyltransferase NSD3
Ligand Name
EHE
EC.Number
E.C.2.1.1.43
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=731uM
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
6
H
2
0
N
3
O
Molecular Weight
270.350
Exact Mass
270.161
No. of atoms
40
No. of bonds
42
Polar Surface Area
51.5
LOGP Value
1.94 (
Computed with XLOGP3
)
2.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
Cc1cc(=O)n(nc1c1ccccc1)C1CC[NH2+]CC1
InChI String
InChI=1S/C16H19N3O/c1-12-11-15(20)19(14-7-9-17-10-8-14)18-16(12)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10H2,1H3/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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