Browse entries in the PDBbind-CN Database
HEADER 6G24_COMPLEX COMPND 6G24_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 79 VAL LYS PHE GLN VAL GLY ASP LEU VAL TRP SER LYS VAL SEQRES 2 A 79 GLY THR TYR PRO TRP TRP PRO CYS MET VAL SER SER ASP SEQRES 3 A 79 PRO GLN LEU GLU VAL HIS THR LYS ILE ASN THR ARG GLY SEQRES 4 A 79 ALA ARG GLU TYR HIS VAL GLN PHE PHE SER ASN GLN PRO SEQRES 5 A 79 GLU ARG ALA TRP VAL HIS GLU LYS ARG VAL ARG GLU TYR SEQRES 6 A 79 LYS GLY HIS LYS GLN TYR GLU GLU LEU LEU ALA GLU ALA SEQRES 7 A 79 THR SEQRES 1 A 42 LYS ILE ARG LYS PRO ARG PRO GLN ARG GLU ARG ALA GLN SEQRES 2 A 42 TRP ASP ILE GLY ILE ALA HIS ALA GLU LYS ALA LEU LYS SEQRES 3 A 42 MET THR ARG GLU GLU ARG ILE GLU GLN TYR THR PHE ILE SEQRES 4 A 42 TYR ILE ASP HET EH A 2 25 ATOM 1 N VAL A 266 -23.243 -1.601 7.328 1.00 50.47 N ATOM 2 CA VAL A 266 -22.703 -2.916 7.689 1.00 47.48 C ATOM 3 C VAL A 266 -21.975 -3.529 6.474 1.00 50.45 C ATOM 4 O VAL A 266 -22.609 -4.113 5.590 1.00 52.43 O ATOM 5 CB VAL A 266 -23.769 -3.886 8.297 1.00 50.86 C ATOM 6 CG1 VAL A 266 -23.105 -5.111 8.923 1.00 47.64 C ATOM 7 CG2 VAL A 266 -24.655 -3.182 9.321 1.00 51.90 C ATOM 8 HN3 VAL A 266 -23.914 -1.707 6.540 1.00 0.00 H ATOM 9 HN2 VAL A 266 -22.464 -0.975 7.039 1.00 0.00 H ATOM 10 HN1 VAL A 266 -23.733 -1.191 8.149 1.00 0.00 H ATOM 11 N LYS A 267 -20.647 -3.379 6.437 1.00 43.70 N ATOM 12 CA LYS A 267 -19.806 -3.891 5.360 1.00 42.51 C ATOM 13 C LYS A 267 -19.291 -5.312 5.619 1.00 40.96 C ATOM 14 O LYS A 267 -18.975 -6.022 4.661 1.00 41.76 O ATOM 15 CB LYS A 267 -18.638 -2.928 5.081 1.00 45.43 C ATOM 16 CG LYS A 267 -19.069 -1.665 4.340 1.00 66.72 C ATOM 17 CD LYS A 267 -17.909 -0.710 4.110 1.00 79.45 C ATOM 18 CE LYS A 267 -18.363 0.567 3.442 1.00 94.25 C ATOM 19 NZ LYS A 267 -17.234 1.511 3.229 1.00103.98 N ATOM 20 HZ1 LYS A 267 -16.810 1.755 4.147 1.00 0.00 H ATOM 21 HZ2 LYS A 267 -16.518 1.062 2.623 1.00 0.00 H ATOM 22 HZ3 LYS A 267 -17.587 2.374 2.769 1.00 0.00 H ATOM 23 H LYS A 267 -20.188 -2.869 7.219 1.00 0.00 H ATOM 24 N PHE A 268 -19.214 -5.728 6.902 1.00 31.43 N ATOM 25 CA PHE A 268 -18.694 -7.045 7.286 1.00 27.62 C ATOM 26 C PHE A 268 -19.706 -7.923 7.998 1.00 30.30 C ATOM 27 O PHE A 268 -20.595 -7.423 8.677 1.00 30.72 O ATOM 28 CB PHE A 268 -17.399 -6.917 8.108 1.00 26.51 C ATOM 29 CG PHE A 268 -16.345 -6.085 7.420 1.00 27.19 C ATOM 30 CD1 PHE A 268 -15.673 -6.569 6.303 1.00 29.41 C ATOM 31 CD2 PHE A 268 -16.066 -4.793 7.852 1.00 29.76 C ATOM 32 CE1 PHE A 268 -14.713 -5.791 5.653 1.00 30.62 C ATOM 33 CE2 PHE A 268 -15.111 -4.010 7.193 1.00 32.87 C ATOM 34 CZ PHE A 268 -14.426 -4.525 6.110 1.00 30.72 C ATOM 35 H PHE A 268 -19.538 -5.085 7.652 1.00 0.00 H ATOM 36 N GLN A 269 -19.577 -9.237 7.805 1.00 25.52 N ATOM 37 CA GLN A 269 -20.447 -10.257 8.380 1.00 25.51 C ATOM 38 C GLN A 269 -19.617 -11.270 9.151 1.00 26.47 C ATOM 39 O GLN A 269 -18.393 -11.278 9.017 1.00 24.36 O ATOM 40 CB GLN A 269 -21.266 -10.961 7.272 1.00 28.66 C ATOM 41 CG GLN A 269 -22.225 -10.044 6.482 1.00 36.69 C ATOM 42 CD GLN A 269 -23.283 -9.360 7.327 1.00 51.14 C ATOM 43 OE1 GLN A 269 -23.873 -9.944 8.245 1.00 46.20 O ATOM 44 NE2 GLN A 269 -23.561 -8.103 7.020 1.00 39.95 N ATOM 45 HE22 GLN A 269 -23.052 -7.632 6.244 1.00 0.00 H ATOM 46 HE21 GLN A 269 -24.288 -7.586 7.554 1.00 0.00 H ATOM 47 H GLN A 269 -18.796 -9.559 7.198 1.00 0.00 H ATOM 48 N VAL A 270 -20.279 -12.112 9.974 1.00 22.99 N ATOM 49 CA VAL A 270 -19.629 -13.169 10.760 1.00 21.67 C ATOM 50 C VAL A 270 -18.864 -14.101 9.804 1.00 25.89 C ATOM 51 O VAL A 270 -19.386 -14.489 8.750 1.00 26.14 O ATOM 52 CB VAL A 270 -20.657 -13.956 11.626 1.00 25.46 C ATOM 53 CG1 VAL A 270 -20.039 -15.216 12.234 1.00 24.81 C ATOM 54 CG2 VAL A 270 -21.241 -13.082 12.719 1.00 25.01 C ATOM 55 H VAL A 270 -21.310 -12.006 10.056 1.00 0.00 H ATOM 56 N GLY A 271 -17.628 -14.413 10.162 1.00 21.44 N ATOM 57 CA GLY A 271 -16.807 -15.293 9.347 1.00 20.77 C ATOM 58 C GLY A 271 -15.950 -14.569 8.341 1.00 22.88 C ATOM 59 O GLY A 271 -15.068 -15.194 7.751 1.00 22.32 O ATOM 60 H GLY A 271 -17.237 -14.021 11.043 1.00 0.00 H ATOM 61 N ASP A 272 -16.193 -13.249 8.126 1.00 19.25 N ATOM 62 CA ASP A 272 -15.361 -12.463 7.208 1.00 19.11 C ATOM 63 C ASP A 272 -13.943 -12.294 7.775 1.00 21.95 C ATOM 64 O ASP A 272 -13.773 -12.049 8.976 1.00 20.15 O ATOM 65 CB ASP A 272 -15.960 -11.065 6.949 1.00 20.61 C ATOM 66 CG ASP A 272 -17.101 -10.997 5.947 1.00 24.61 C ATOM 67 OD1 ASP A 272 -17.310 -11.983 5.212 1.00 25.94 O ATOM 68 OD2 ASP A 272 -17.738 -9.935 5.851 1.00 28.27 O ATOM 69 H ASP A 272 -16.983 -12.788 8.621 1.00 0.00 H ATOM 70 N LEU A 273 -12.934 -12.405 6.906 1.00 19.48 N ATOM 71 CA LEU A 273 -11.543 -12.193 7.298 1.00 18.74 C ATOM 72 C LEU A 273 -11.239 -10.715 7.136 1.00 22.16 C ATOM 73 O LEU A 273 -11.568 -10.110 6.110 1.00 21.16 O ATOM 74 CB LEU A 273 -10.576 -13.040 6.461 1.00 19.49 C ATOM 75 CG LEU A 273 -10.630 -14.544 6.695 1.00 24.59 C ATOM 76 CD1 LEU A 273 -9.723 -15.238 5.745 1.00 26.65 C ATOM 77 CD2 LEU A 273 -10.211 -14.908 8.119 1.00 25.20 C ATOM 78 H LEU A 273 -13.146 -12.650 5.918 1.00 0.00 H ATOM 79 N VAL A 274 -10.650 -10.121 8.176 1.00 18.00 N ATOM 80 CA VAL A 274 -10.325 -8.699 8.189 1.00 16.78 C ATOM 81 C VAL A 274 -8.976 -8.442 8.829 1.00 21.26 C ATOM 82 O VAL A 274 -8.454 -9.288 9.535 1.00 20.61 O ATOM 83 CB VAL A 274 -11.431 -7.846 8.893 1.00 19.75 C ATOM 84 CG1 VAL A 274 -12.746 -7.834 8.107 1.00 19.64 C ATOM 85 CG2 VAL A 274 -11.643 -8.262 10.357 1.00 18.16 C ATOM 86 H VAL A 274 -10.413 -10.695 9.010 1.00 0.00 H ATOM 87 N TRP A 275 -8.431 -7.247 8.597 1.00 19.39 N ATOM 88 CA TRP A 275 -7.233 -6.721 9.223 1.00 18.29 C ATOM 89 C TRP A 275 -7.762 -5.705 10.236 1.00 21.11 C ATOM 90 O TRP A 275 -8.598 -4.867 9.871 1.00 20.89 O ATOM 91 CB TRP A 275 -6.405 -5.918 8.211 1.00 17.56 C ATOM 92 CG TRP A 275 -5.731 -6.688 7.118 1.00 18.99 C ATOM 93 CD1 TRP A 275 -6.139 -6.788 5.820 1.00 22.69 C ATOM 94 CD2 TRP A 275 -4.421 -7.274 7.176 1.00 18.83 C ATOM 95 NE1 TRP A 275 -5.196 -7.460 5.078 1.00 23.42 N ATOM 96 CE2 TRP A 275 -4.112 -7.736 5.876 1.00 24.27 C ATOM 97 CE3 TRP A 275 -3.466 -7.428 8.196 1.00 20.01 C ATOM 98 CZ2 TRP A 275 -2.898 -8.368 5.574 1.00 24.50 C ATOM 99 CZ3 TRP A 275 -2.266 -8.065 7.901 1.00 22.67 C ATOM 100 CH2 TRP A 275 -1.990 -8.525 6.602 1.00 24.64 C ATOM 101 HE1 TRP A 275 -5.288 -7.718 4.075 1.00 0.00 H ATOM 102 H TRP A 275 -8.909 -6.636 7.904 1.00 0.00 H ATOM 103 N SER A 276 -7.257 -5.732 11.474 1.00 17.10 N ATOM 104 CA SER A 276 -7.637 -4.746 12.500 1.00 16.72 C ATOM 105 C SER A 276 -6.405 -3.990 12.981 1.00 21.36 C ATOM 106 O SER A 276 -5.345 -4.588 13.189 1.00 19.38 O ATOM 107 CB SER A 276 -8.313 -5.417 13.692 1.00 18.62 C ATOM 108 OG SER A 276 -9.529 -6.035 13.306 1.00 25.22 O ATOM 109 HG SER A 276 -9.946 -6.462 14.096 1.00 0.00 H ATOM 110 H SER A 276 -6.572 -6.475 11.721 1.00 0.00 H ATOM 111 N LYS A 277 -6.567 -2.688 13.223 1.00 19.44 N ATOM 112 CA LYS A 277 -5.504 -1.804 13.711 1.00 20.06 C ATOM 113 C LYS A 277 -5.919 -1.308 15.112 1.00 25.37 C ATOM 114 O LYS A 277 -6.803 -0.459 15.229 1.00 27.23 O ATOM 115 CB LYS A 277 -5.325 -0.645 12.709 1.00 22.98 C ATOM 116 CG LYS A 277 -4.095 0.217 12.926 1.00 31.97 C ATOM 117 CD LYS A 277 -2.811 -0.444 12.425 1.00 33.61 C ATOM 118 CE LYS A 277 -1.683 0.547 12.246 1.00 33.22 C ATOM 119 NZ LYS A 277 -1.546 1.470 13.406 1.00 26.46 N ATOM 120 HZ1 LYS A 277 -2.429 2.007 13.527 1.00 0.00 H ATOM 121 HZ2 LYS A 277 -1.354 0.918 14.266 1.00 0.00 H ATOM 122 HZ3 LYS A 277 -0.760 2.128 13.233 1.00 0.00 H ATOM 123 H LYS A 277 -7.506 -2.274 13.055 1.00 0.00 H ATOM 124 N VAL A 278 -5.351 -1.913 16.168 1.00 21.32 N ATOM 125 CA VAL A 278 -5.681 -1.636 17.575 1.00 21.55 C ATOM 126 C VAL A 278 -4.436 -1.274 18.399 1.00 25.44 C ATOM 127 O VAL A 278 -3.373 -1.856 18.193 1.00 23.10 O ATOM 128 CB VAL A 278 -6.465 -2.815 18.249 1.00 24.95 C ATOM 129 CG1 VAL A 278 -7.759 -3.135 17.504 1.00 24.16 C ATOM 130 CG2 VAL A 278 -5.600 -4.070 18.384 1.00 24.60 C ATOM 131 H VAL A 278 -4.623 -2.631 15.977 1.00 0.00 H ATOM 132 N GLY A 279 -4.609 -0.354 19.348 1.00 24.20 N ATOM 133 CA GLY A 279 -3.567 0.092 20.268 1.00 25.21 C ATOM 134 C GLY A 279 -2.266 0.427 19.578 1.00 29.03 C ATOM 135 O GLY A 279 -2.269 1.167 18.597 1.00 29.43 O ATOM 136 H GLY A 279 -5.552 0.076 19.439 1.00 0.00 H ATOM 137 N THR A 280 -1.167 -0.165 20.044 1.00 25.61 N ATOM 138 CA THR A 280 0.181 0.052 19.501 1.00 26.70 C ATOM 139 C THR A 280 0.558 -1.035 18.490 1.00 29.24 C ATOM 140 O THR A 280 1.680 -1.052 17.995 1.00 28.67 O ATOM 141 CB THR A 280 1.208 0.054 20.646 1.00 35.37 C ATOM 142 OG1 THR A 280 1.146 -1.201 21.324 1.00 36.83 O ATOM 143 CG2 THR A 280 1.012 1.201 21.621 1.00 32.86 C ATOM 144 HG1 THR A 280 0.236 -1.332 21.690 1.00 0.00 H ATOM 145 H THR A 280 -1.270 -0.823 20.843 1.00 0.00 H ATOM 146 N TYR A 281 -0.370 -1.949 18.206 1.00 25.59 N ATOM 147 CA TYR A 281 -0.111 -3.085 17.333 1.00 25.79 C ATOM 148 C TYR A 281 -0.231 -2.766 15.845 1.00 26.22 C ATOM 149 O TYR A 281 -1.055 -1.937 15.460 1.00 25.05 O ATOM 150 CB TYR A 281 -1.008 -4.281 17.737 1.00 27.65 C ATOM 151 CG TYR A 281 -0.756 -4.701 19.173 1.00 33.72 C ATOM 152 CD1 TYR A 281 0.429 -5.336 19.537 1.00 37.94 C ATOM 153 CD2 TYR A 281 -1.659 -4.379 20.183 1.00 35.40 C ATOM 154 CE1 TYR A 281 0.691 -5.679 20.862 1.00 42.37 C ATOM 155 CE2 TYR A 281 -1.414 -4.727 21.513 1.00 38.27 C ATOM 156 CZ TYR A 281 -0.235 -5.378 21.848 1.00 50.50 C ATOM 157 OH TYR A 281 0.031 -5.716 23.157 1.00 55.88 O ATOM 158 HH TYR A 281 0.909 -6.170 23.207 1.00 0.00 H ATOM 159 H TYR A 281 -1.316 -1.846 18.625 1.00 0.00 H ATOM 160 N PRO A 282 0.550 -3.450 14.978 1.00 21.79 N ATOM 161 CA PRO A 282 0.391 -3.220 13.535 1.00 21.06 C ATOM 162 C PRO A 282 -0.910 -3.857 13.036 1.00 22.80 C ATOM 163 O PRO A 282 -1.527 -4.645 13.772 1.00 22.42 O ATOM 164 CB PRO A 282 1.614 -3.941 12.945 1.00 24.06 C ATOM 165 CG PRO A 282 1.879 -5.072 13.901 1.00 27.80 C ATOM 166 CD PRO A 282 1.578 -4.490 15.252 1.00 23.64 C ATOM 167 N TRP A 283 -1.313 -3.563 11.782 1.00 18.19 N ATOM 168 CA TRP A 283 -2.487 -4.184 11.159 1.00 16.21 C ATOM 169 C TRP A 283 -2.371 -5.683 11.413 1.00 20.39 C ATOM 170 O TRP A 283 -1.298 -6.270 11.162 1.00 19.21 O ATOM 171 CB TRP A 283 -2.528 -3.889 9.661 1.00 15.76 C ATOM 172 CG TRP A 283 -2.905 -2.478 9.334 1.00 17.21 C ATOM 173 CD1 TRP A 283 -2.059 -1.448 9.038 1.00 21.63 C ATOM 174 CD2 TRP A 283 -4.230 -1.937 9.295 1.00 16.90 C ATOM 175 NE1 TRP A 283 -2.775 -0.291 8.836 1.00 22.10 N ATOM 176 CE2 TRP A 283 -4.115 -0.571 8.956 1.00 22.40 C ATOM 177 CE3 TRP A 283 -5.515 -2.483 9.482 1.00 17.55 C ATOM 178 CZ2 TRP A 283 -5.231 0.262 8.821 1.00 21.91 C ATOM 179 CZ3 TRP A 283 -6.619 -1.653 9.364 1.00 19.64 C ATOM 180 CH2 TRP A 283 -6.471 -0.296 9.035 1.00 21.49 C ATOM 181 HE1 TRP A 283 -2.369 0.643 8.627 1.00 0.00 H ATOM 182 H TRP A 283 -0.768 -2.867 11.234 1.00 0.00 H ATOM 183 N TRP A 284 -3.433 -6.277 12.018 1.00 16.38 N ATOM 184 CA TRP A 284 -3.400 -7.668 12.452 1.00 17.00 C ATOM 185 C TRP A 284 -4.490 -8.539 11.824 1.00 19.75 C ATOM 186 O TRP A 284 -5.637 -8.104 11.790 1.00 19.00 O ATOM 187 CB TRP A 284 -3.461 -7.736 14.000 1.00 15.85 C ATOM 188 CG TRP A 284 -2.763 -8.939 14.585 1.00 18.05 C ATOM 189 CD1 TRP A 284 -3.241 -10.217 14.640 1.00 20.72 C ATOM 190 CD2 TRP A 284 -1.449 -8.977 15.172 1.00 19.19 C ATOM 191 NE1 TRP A 284 -2.303 -11.050 15.201 1.00 21.42 N ATOM 192 CE2 TRP A 284 -1.199 -10.313 15.553 1.00 23.59 C ATOM 193 CE3 TRP A 284 -0.472 -8.001 15.449 1.00 21.15 C ATOM 194 CZ2 TRP A 284 -0.010 -10.703 16.180 1.00 24.59 C ATOM 195 CZ3 TRP A 284 0.708 -8.389 16.064 1.00 24.00 C ATOM 196 CH2 TRP A 284 0.937 -9.726 16.412 1.00 25.63 C ATOM 197 HE1 TRP A 284 -2.412 -12.075 15.337 1.00 0.00 H ATOM 198 H TRP A 284 -4.297 -5.721 12.176 1.00 0.00 H ATOM 199 N PRO A 285 -4.160 -9.763 11.332 1.00 16.90 N ATOM 200 CA PRO A 285 -5.208 -10.639 10.761 1.00 16.47 C ATOM 201 C PRO A 285 -6.254 -11.068 11.808 1.00 20.46 C ATOM 202 O PRO A 285 -5.897 -11.456 12.924 1.00 19.84 O ATOM 203 CB PRO A 285 -4.405 -11.836 10.231 1.00 18.42 C ATOM 204 CG PRO A 285 -3.159 -11.857 11.081 1.00 22.15 C ATOM 205 CD PRO A 285 -2.828 -10.418 11.266 1.00 17.67 C ATOM 206 N CYS A 286 -7.549 -10.933 11.453 1.00 17.00 N ATOM 207 CA CYS A 286 -8.712 -11.239 12.298 1.00 16.18 C ATOM 208 C CYS A 286 -9.798 -11.983 11.520 1.00 19.70 C ATOM 209 O CYS A 286 -9.775 -12.053 10.296 1.00 20.89 O ATOM 210 CB CYS A 286 -9.302 -9.952 12.881 1.00 16.10 C ATOM 211 SG CYS A 286 -8.158 -8.965 13.870 1.00 19.78 S ATOM 212 H CYS A 286 -7.742 -10.580 10.494 1.00 0.00 H ATOM 213 N MET A 287 -10.810 -12.433 12.258 1.00 15.55 N ATOM 214 CA MET A 287 -12.049 -12.985 11.745 1.00 14.91 C ATOM 215 C MET A 287 -13.185 -12.316 12.512 1.00 17.88 C ATOM 216 O MET A 287 -13.147 -12.254 13.745 1.00 17.65 O ATOM 217 CB MET A 287 -12.131 -14.509 11.850 1.00 17.18 C ATOM 218 CG MET A 287 -13.402 -15.061 11.189 1.00 20.48 C ATOM 219 SD MET A 287 -13.643 -16.828 11.390 1.00 24.27 S ATOM 220 CE MET A 287 -13.901 -16.940 13.172 1.00 19.28 C ATOM 221 H MET A 287 -10.703 -12.385 13.291 1.00 0.00 H ATOM 222 N VAL A 288 -14.169 -11.793 11.775 1.00 14.58 N ATOM 223 CA VAL A 288 -15.354 -11.147 12.333 1.00 13.79 C ATOM 224 C VAL A 288 -16.195 -12.247 12.998 1.00 18.11 C ATOM 225 O VAL A 288 -16.320 -13.341 12.454 1.00 17.23 O ATOM 226 CB VAL A 288 -16.158 -10.337 11.285 1.00 17.78 C ATOM 227 CG1 VAL A 288 -17.426 -9.751 11.900 1.00 17.93 C ATOM 228 CG2 VAL A 288 -15.310 -9.230 10.664 1.00 17.31 C ATOM 229 H VAL A 288 -14.086 -11.849 10.740 1.00 0.00 H ATOM 230 N SER A 289 -16.701 -11.971 14.210 1.00 15.61 N ATOM 231 CA SER A 289 -17.470 -12.937 14.982 1.00 16.01 C ATOM 232 C SER A 289 -18.501 -12.221 15.826 1.00 21.00 C ATOM 233 O SER A 289 -18.388 -11.017 16.054 1.00 19.47 O ATOM 234 CB SER A 289 -16.532 -13.747 15.878 1.00 17.64 C ATOM 235 OG SER A 289 -15.949 -12.940 16.891 1.00 19.80 O ATOM 236 HG SER A 289 -15.350 -13.496 17.450 1.00 0.00 H ATOM 237 H SER A 289 -16.537 -11.027 14.615 1.00 0.00 H ATOM 238 N SER A 290 -19.493 -12.969 16.316 1.00 19.04 N ATOM 239 CA SER A 290 -20.526 -12.414 17.178 1.00 20.39 C ATOM 240 C SER A 290 -19.975 -12.287 18.602 1.00 24.48 C ATOM 241 O SER A 290 -19.294 -13.194 19.085 1.00 24.09 O ATOM 242 CB SER A 290 -21.748 -13.327 17.169 1.00 24.75 C ATOM 243 OG SER A 290 -22.747 -12.827 18.040 1.00 40.04 O ATOM 244 HG SER A 290 -23.531 -13.431 18.022 1.00 0.00 H ATOM 245 H SER A 290 -19.528 -13.980 16.074 1.00 0.00 H ATOM 246 N ASP A 291 -20.244 -11.161 19.263 1.00 22.77 N ATOM 247 CA ASP A 291 -19.852 -10.960 20.662 1.00 23.87 C ATOM 248 C ASP A 291 -20.663 -11.977 21.515 1.00 29.58 C ATOM 249 O ASP A 291 -21.868 -12.103 21.300 1.00 29.53 O ATOM 250 CB ASP A 291 -20.148 -9.511 21.098 1.00 26.52 C ATOM 251 CG ASP A 291 -19.754 -9.181 22.524 1.00 34.63 C ATOM 252 OD1 ASP A 291 -20.404 -9.695 23.454 1.00 39.86 O ATOM 253 OD2 ASP A 291 -18.826 -8.386 22.707 1.00 39.16 O ATOM 254 H ASP A 291 -20.750 -10.398 18.769 1.00 0.00 H ATOM 255 N PRO A 292 -20.028 -12.751 22.429 1.00 29.13 N ATOM 256 CA PRO A 292 -20.790 -13.770 23.187 1.00 31.96 C ATOM 257 C PRO A 292 -21.885 -13.215 24.105 1.00 39.10 C ATOM 258 O PRO A 292 -22.927 -13.852 24.283 1.00 40.92 O ATOM 259 CB PRO A 292 -19.699 -14.522 23.960 1.00 34.30 C ATOM 260 CG PRO A 292 -18.575 -13.555 24.063 1.00 37.48 C ATOM 261 CD PRO A 292 -18.593 -12.781 22.783 1.00 30.61 C ATOM 262 N GLN A 293 -21.664 -12.002 24.634 1.00 36.05 N ATOM 263 CA GLN A 293 -22.582 -11.288 25.519 1.00 38.02 C ATOM 264 C GLN A 293 -23.631 -10.479 24.736 1.00 41.11 C ATOM 265 O GLN A 293 -24.822 -10.635 25.000 1.00 42.90 O ATOM 266 CB GLN A 293 -21.795 -10.367 26.468 1.00 40.25 C ATOM 267 CG GLN A 293 -20.733 -11.091 27.308 1.00 69.60 C ATOM 268 CD GLN A 293 -19.906 -10.154 28.161 1.00 98.30 C ATOM 269 OE1 GLN A 293 -19.343 -9.156 27.686 1.00 92.94 O ATOM 270 NE2 GLN A 293 -19.777 -10.482 29.441 1.00 95.63 N ATOM 271 HE22 GLN A 293 -20.260 -11.324 29.813 1.00 0.00 H ATOM 272 HE21 GLN A 293 -19.193 -9.897 30.071 1.00 0.00 H ATOM 273 H GLN A 293 -20.767 -11.532 24.395 1.00 0.00 H ATOM 274 N LEU A 294 -23.200 -9.627 23.773 1.00 34.55 N ATOM 275 CA LEU A 294 -24.129 -8.775 23.012 1.00 33.96 C ATOM 276 C LEU A 294 -24.909 -9.518 21.927 1.00 37.50 C ATOM 277 O LEU A 294 -25.974 -9.041 21.523 1.00 37.63 O ATOM 278 CB LEU A 294 -23.425 -7.533 22.430 1.00 32.16 C ATOM 279 CG LEU A 294 -22.940 -6.473 23.432 1.00 37.14 C ATOM 280 CD1 LEU A 294 -22.082 -5.445 22.753 1.00 35.72 C ATOM 281 CD2 LEU A 294 -24.107 -5.759 24.121 1.00 42.48 C ATOM 282 H LEU A 294 -22.182 -9.574 23.566 1.00 0.00 H ATOM 283 N GLU A 295 -24.383 -10.688 21.462 1.00 32.74 N ATOM 284 CA GLU A 295 -24.980 -11.573 20.440 1.00 31.72 C ATOM 285 C GLU A 295 -25.151 -10.879 19.070 1.00 32.73 C ATOM 286 O GLU A 295 -26.059 -11.197 18.294 1.00 33.04 O ATOM 287 CB GLU A 295 -26.288 -12.229 20.934 1.00 35.25 C ATOM 288 CG GLU A 295 -26.101 -13.042 22.201 1.00 44.63 C ATOM 289 CD GLU A 295 -27.272 -13.916 22.604 1.00 64.75 C ATOM 290 OE1 GLU A 295 -28.430 -13.442 22.538 1.00 54.12 O ATOM 291 OE2 GLU A 295 -27.023 -15.074 23.013 1.00 56.10 O ATOM 292 H GLU A 295 -23.473 -10.986 21.867 1.00 0.00 H ATOM 293 N VAL A 296 -24.242 -9.937 18.786 1.00 26.20 N ATOM 294 CA VAL A 296 -24.130 -9.195 17.531 1.00 24.38 C ATOM 295 C VAL A 296 -22.653 -9.123 17.157 1.00 25.22 C ATOM 296 O VAL A 296 -21.800 -9.122 18.050 1.00 23.99 O ATOM 297 CB VAL A 296 -24.774 -7.771 17.564 1.00 28.57 C ATOM 298 CG1 VAL A 296 -26.299 -7.841 17.632 1.00 30.65 C ATOM 299 CG2 VAL A 296 -24.199 -6.901 18.684 1.00 27.97 C ATOM 300 H VAL A 296 -23.550 -9.712 19.529 1.00 0.00 H ATOM 301 N HIS A 297 -22.357 -9.045 15.851 1.00 22.00 N ATOM 302 CA HIS A 297 -21.002 -8.924 15.315 1.00 20.45 C ATOM 303 C HIS A 297 -20.701 -7.444 14.985 1.00 23.49 C ATOM 304 O HIS A 297 -19.571 -7.094 14.658 1.00 22.06 O ATOM 305 CB HIS A 297 -20.848 -9.804 14.059 1.00 21.47 C ATOM 306 CG HIS A 297 -21.474 -9.221 12.824 1.00 26.27 C ATOM 307 ND1 HIS A 297 -22.839 -9.271 12.617 1.00 29.85 N ATOM 308 CD2 HIS A 297 -20.902 -8.549 11.796 1.00 27.62 C ATOM 309 CE1 HIS A 297 -23.056 -8.637 11.477 1.00 29.83 C ATOM 310 NE2 HIS A 297 -21.921 -8.188 10.945 1.00 28.81 N ATOM 311 H HIS A 297 -23.145 -9.072 15.173 1.00 0.00 H ATOM 312 N THR A 298 -21.731 -6.602 15.009 1.00 20.78 N ATOM 313 CA THR A 298 -21.618 -5.172 14.708 1.00 20.91 C ATOM 314 C THR A 298 -22.515 -4.352 15.632 1.00 25.73 C ATOM 315 O THR A 298 -23.513 -4.875 16.128 1.00 25.41 O ATOM 316 CB THR A 298 -21.858 -4.886 13.202 1.00 27.38 C ATOM 317 OG1 THR A 298 -21.478 -3.541 12.906 1.00 28.97 O ATOM 318 CG2 THR A 298 -23.309 -5.115 12.772 1.00 27.55 C ATOM 319 HG1 THR A 298 -20.519 -3.416 13.117 1.00 0.00 H ATOM 320 H THR A 298 -22.668 -6.980 15.255 1.00 0.00 H ATOM 321 N LYS A 299 -22.160 -3.065 15.861 1.00 23.73 N ATOM 322 CA LYS A 299 -22.954 -2.148 16.695 1.00 25.59 C ATOM 323 C LYS A 299 -22.574 -0.704 16.432 1.00 27.82 C ATOM 324 O LYS A 299 -21.548 -0.424 15.804 1.00 25.31 O ATOM 325 CB LYS A 299 -22.762 -2.456 18.206 1.00 28.62 C ATOM 326 CG LYS A 299 -21.375 -2.088 18.749 1.00 28.95 C ATOM 327 CD LYS A 299 -21.268 -2.324 20.237 1.00 34.84 C ATOM 328 CE LYS A 299 -19.918 -1.913 20.750 1.00 40.20 C ATOM 329 NZ LYS A 299 -19.764 -2.196 22.202 1.00 51.06 N ATOM 330 HZ1 LYS A 299 -20.488 -1.672 22.735 1.00 0.00 H ATOM 331 HZ2 LYS A 299 -19.879 -3.216 22.369 1.00 0.00 H ATOM 332 HZ3 LYS A 299 -18.818 -1.897 22.514 1.00 0.00 H ATOM 333 H LYS A 299 -21.285 -2.708 15.427 1.00 0.00 H ATOM 334 N ILE A 300 -23.378 0.210 16.966 1.00 25.54 N ATOM 335 CA ILE A 300 -23.092 1.636 16.931 1.00 25.93 C ATOM 336 C ILE A 300 -22.628 1.959 18.348 1.00 30.50 C ATOM 337 O ILE A 300 -23.305 1.601 19.317 1.00 30.89 O ATOM 338 CB ILE A 300 -24.307 2.480 16.450 1.00 31.67 C ATOM 339 CG1 ILE A 300 -24.667 2.185 14.965 1.00 32.72 C ATOM 340 CG2 ILE A 300 -24.117 3.988 16.709 1.00 31.31 C ATOM 341 CD1 ILE A 300 -23.568 2.574 13.862 1.00 36.79 C ATOM 342 H ILE A 300 -24.252 -0.109 17.430 1.00 0.00 H ATOM 343 N ASN A 301 -21.457 2.596 18.467 1.00 27.79 N ATOM 344 CA ASN A 301 -20.880 2.956 19.761 1.00 28.01 C ATOM 345 C ASN A 301 -21.503 4.218 20.344 1.00 34.63 C ATOM 346 O ASN A 301 -22.332 4.865 19.696 1.00 35.04 O ATOM 347 CB ASN A 301 -19.332 3.034 19.688 1.00 27.70 C ATOM 348 CG ASN A 301 -18.750 4.137 18.833 1.00 40.63 C ATOM 349 OD1 ASN A 301 -19.394 5.137 18.502 1.00 35.76 O ATOM 350 ND2 ASN A 301 -17.481 4.000 18.504 1.00 28.70 N ATOM 351 HD22 ASN A 301 -16.958 3.149 18.793 1.00 0.00 H ATOM 352 HD21 ASN A 301 -17.003 4.743 17.955 1.00 0.00 H ATOM 353 H ASN A 301 -20.936 2.845 17.602 1.00 0.00 H ATOM 354 N THR A 302 -21.096 4.563 21.581 1.00 32.85 N ATOM 355 CA THR A 302 -21.564 5.726 22.333 1.00 35.84 C ATOM 356 C THR A 302 -21.205 7.064 21.641 1.00 39.27 C ATOM 357 O THR A 302 -21.739 8.102 22.028 1.00 40.73 O ATOM 358 CB THR A 302 -21.092 5.644 23.794 1.00 48.64 C ATOM 359 OG1 THR A 302 -19.684 5.418 23.835 1.00 46.46 O ATOM 360 CG2 THR A 302 -21.810 4.545 24.574 1.00 49.73 C ATOM 361 HG1 THR A 302 -19.474 4.567 23.374 1.00 0.00 H ATOM 362 H THR A 302 -20.390 3.951 22.039 1.00 0.00 H ATOM 363 N ARG A 303 -20.346 7.025 20.596 1.00 33.71 N ATOM 364 CA ARG A 303 -19.959 8.196 19.800 1.00 34.59 C ATOM 365 C ARG A 303 -20.732 8.247 18.468 1.00 38.95 C ATOM 366 O ARG A 303 -20.548 9.184 17.688 1.00 40.93 O ATOM 367 CB ARG A 303 -18.437 8.217 19.540 1.00 33.87 C ATOM 368 CG ARG A 303 -17.601 8.663 20.729 1.00 50.66 C ATOM 369 CD ARG A 303 -16.134 8.372 20.483 1.00 71.73 C ATOM 370 NE ARG A 303 -15.315 8.627 21.670 1.00 94.36 N ATOM 371 CZ ARG A 303 -13.985 8.565 21.696 1.00114.55 C ATOM 372 NH1 ARG A 303 -13.304 8.263 20.596 1.00102.13 N ATOM 373 NH2 ARG A 303 -13.326 8.813 22.820 1.00104.78 N ATOM 374 HE ARG A 303 -15.806 8.873 22.553 1.00 0.00 H ATOM 375 HH12 ARG A 303 -12.265 8.216 20.624 1.00 0.00 H ATOM 376 HH11 ARG A 303 -13.809 8.073 19.707 1.00 0.00 H ATOM 377 HH22 ARG A 303 -12.287 8.763 22.836 1.00 0.00 H ATOM 378 HH21 ARG A 303 -13.848 9.057 23.686 1.00 0.00 H ATOM 379 H ARG A 303 -19.933 6.105 20.340 1.00 0.00 H ATOM 380 N GLY A 304 -21.580 7.244 18.225 1.00 34.33 N ATOM 381 CA GLY A 304 -22.407 7.145 17.025 1.00 34.48 C ATOM 382 C GLY A 304 -21.735 6.494 15.832 1.00 36.58 C ATOM 383 O GLY A 304 -22.294 6.504 14.733 1.00 36.19 O ATOM 384 H GLY A 304 -21.656 6.487 18.934 1.00 0.00 H ATOM 385 N ALA A 305 -20.541 5.898 16.042 1.00 31.32 N ATOM 386 CA ALA A 305 -19.763 5.239 14.989 1.00 29.05 C ATOM 387 C ALA A 305 -19.939 3.724 14.988 1.00 31.42 C ATOM 388 O ALA A 305 -20.153 3.121 16.042 1.00 29.38 O ATOM 389 CB ALA A 305 -18.287 5.596 15.123 1.00 28.22 C ATOM 390 H ALA A 305 -20.151 5.907 17.006 1.00 0.00 H ATOM 391 N ARG A 306 -19.853 3.111 13.795 1.00 29.21 N ATOM 392 CA ARG A 306 -19.978 1.666 13.654 1.00 28.40 C ATOM 393 C ARG A 306 -18.716 0.945 14.110 1.00 29.24 C ATOM 394 O ARG A 306 -17.599 1.394 13.839 1.00 27.58 O ATOM 395 CB ARG A 306 -20.378 1.249 12.223 1.00 30.87 C ATOM 396 CG ARG A 306 -20.584 -0.277 12.074 1.00 33.66 C ATOM 397 CD ARG A 306 -21.497 -0.700 10.935 1.00 35.98 C ATOM 398 NE ARG A 306 -22.814 -0.058 10.977 1.00 34.87 N ATOM 399 CZ ARG A 306 -23.836 -0.446 11.739 1.00 49.78 C ATOM 400 NH1 ARG A 306 -24.991 0.207 11.692 1.00 40.86 N ATOM 401 NH2 ARG A 306 -23.706 -1.479 12.564 1.00 30.23 N ATOM 402 HE ARG A 306 -22.963 0.767 10.362 1.00 0.00 H ATOM 403 HH12 ARG A 306 -25.786 -0.099 12.288 1.00 0.00 H ATOM 404 HH11 ARG A 306 -25.101 1.025 11.059 1.00 0.00 H ATOM 405 HH22 ARG A 306 -24.508 -1.776 13.156 1.00 0.00 H ATOM 406 HH21 ARG A 306 -22.802 -1.991 12.618 1.00 0.00 H ATOM 407 H ARG A 306 -19.692 3.687 12.944 1.00 0.00 H ATOM 408 N GLU A 307 -18.913 -0.178 14.818 1.00 25.65 N ATOM 409 CA GLU A 307 -17.831 -1.045 15.287 1.00 23.18 C ATOM 410 C GLU A 307 -18.132 -2.484 14.921 1.00 26.36 C ATOM 411 O GLU A 307 -19.302 -2.849 14.799 1.00 25.77 O ATOM 412 CB GLU A 307 -17.641 -0.929 16.802 1.00 24.40 C ATOM 413 CG GLU A 307 -17.045 0.393 17.257 1.00 29.64 C ATOM 414 CD GLU A 307 -16.770 0.483 18.744 1.00 36.29 C ATOM 415 OE1 GLU A 307 -17.151 -0.451 19.487 1.00 30.87 O ATOM 416 OE2 GLU A 307 -16.217 1.518 19.175 1.00 31.95 O ATOM 417 H GLU A 307 -19.891 -0.448 15.047 1.00 0.00 H ATOM 418 N TYR A 308 -17.075 -3.307 14.751 1.00 22.40 N ATOM 419 CA TYR A 308 -17.225 -4.732 14.454 1.00 20.68 C ATOM 420 C TYR A 308 -16.518 -5.527 15.517 1.00 21.35 C ATOM 421 O TYR A 308 -15.474 -5.105 16.018 1.00 19.74 O ATOM 422 CB TYR A 308 -16.649 -5.094 13.071 1.00 21.31 C ATOM 423 CG TYR A 308 -17.372 -4.432 11.923 1.00 23.78 C ATOM 424 CD1 TYR A 308 -18.533 -4.989 11.389 1.00 26.38 C ATOM 425 CD2 TYR A 308 -16.916 -3.232 11.385 1.00 25.11 C ATOM 426 CE1 TYR A 308 -19.224 -4.363 10.351 1.00 28.41 C ATOM 427 CE2 TYR A 308 -17.593 -2.604 10.339 1.00 27.69 C ATOM 428 CZ TYR A 308 -18.741 -3.180 9.820 1.00 34.85 C ATOM 429 OH TYR A 308 -19.412 -2.565 8.797 1.00 42.09 O ATOM 430 HH TYR A 308 -20.203 -3.107 8.550 1.00 0.00 H ATOM 431 H TYR A 308 -16.116 -2.912 14.834 1.00 0.00 H ATOM 432 N HIS A 309 -17.079 -6.676 15.862 1.00 16.84 N ATOM 433 CA HIS A 309 -16.468 -7.568 16.832 1.00 16.13 C ATOM 434 C HIS A 309 -15.575 -8.543 16.073 1.00 18.64 C ATOM 435 O HIS A 309 -16.007 -9.175 15.102 1.00 17.66 O ATOM 436 CB HIS A 309 -17.528 -8.300 17.669 1.00 17.10 C ATOM 437 CG HIS A 309 -16.925 -9.185 18.706 1.00 19.96 C ATOM 438 ND1 HIS A 309 -16.624 -10.512 18.438 1.00 21.07 N ATOM 439 CD2 HIS A 309 -16.551 -8.898 19.970 1.00 21.91 C ATOM 440 CE1 HIS A 309 -16.090 -10.988 19.549 1.00 20.77 C ATOM 441 NE2 HIS A 309 -16.015 -10.050 20.493 1.00 21.76 N ATOM 442 H HIS A 309 -17.983 -6.947 15.426 1.00 0.00 H ATOM 443 N VAL A 310 -14.307 -8.630 16.491 1.00 14.22 N ATOM 444 CA VAL A 310 -13.353 -9.493 15.821 1.00 13.00 C ATOM 445 C VAL A 310 -12.622 -10.393 16.814 1.00 19.48 C ATOM 446 O VAL A 310 -12.498 -10.061 17.992 1.00 19.94 O ATOM 447 CB VAL A 310 -12.334 -8.681 14.951 1.00 16.06 C ATOM 448 CG1 VAL A 310 -13.040 -7.772 13.938 1.00 16.01 C ATOM 449 CG2 VAL A 310 -11.359 -7.875 15.815 1.00 15.81 C ATOM 450 H VAL A 310 -14.000 -8.069 17.311 1.00 0.00 H ATOM 451 N GLN A 311 -12.108 -11.509 16.312 1.00 15.62 N ATOM 452 CA GLN A 311 -11.193 -12.360 17.038 1.00 16.46 C ATOM 453 C GLN A 311 -9.857 -12.283 16.296 1.00 20.89 C ATOM 454 O GLN A 311 -9.824 -12.394 15.072 1.00 21.93 O ATOM 455 CB GLN A 311 -11.696 -13.796 17.251 1.00 18.72 C ATOM 456 CG GLN A 311 -12.557 -14.443 16.187 1.00 28.82 C ATOM 457 CD GLN A 311 -12.752 -15.895 16.531 1.00 30.93 C ATOM 458 OE1 GLN A 311 -13.738 -16.295 17.159 1.00 23.86 O ATOM 459 NE2 GLN A 311 -11.783 -16.712 16.166 1.00 23.08 N ATOM 460 HE22 GLN A 311 -10.965 -16.346 15.638 1.00 0.00 H ATOM 461 HE21 GLN A 311 -11.837 -17.722 16.406 1.00 0.00 H ATOM 462 H GLN A 311 -12.378 -11.785 15.346 1.00 0.00 H ATOM 463 N PHE A 312 -8.783 -11.975 17.009 1.00 16.73 N ATOM 464 CA PHE A 312 -7.452 -11.875 16.415 1.00 16.27 C ATOM 465 C PHE A 312 -6.856 -13.242 16.208 1.00 20.95 C ATOM 466 O PHE A 312 -7.042 -14.128 17.040 1.00 21.68 O ATOM 467 CB PHE A 312 -6.506 -11.089 17.339 1.00 18.13 C ATOM 468 CG PHE A 312 -6.829 -9.624 17.453 1.00 18.88 C ATOM 469 CD1 PHE A 312 -7.799 -9.177 18.342 1.00 22.25 C ATOM 470 CD2 PHE A 312 -6.141 -8.686 16.695 1.00 19.91 C ATOM 471 CE1 PHE A 312 -8.096 -7.819 18.450 1.00 23.04 C ATOM 472 CE2 PHE A 312 -6.449 -7.330 16.793 1.00 23.18 C ATOM 473 CZ PHE A 312 -7.423 -6.906 17.672 1.00 21.67 C ATOM 474 H PHE A 312 -8.892 -11.798 18.028 1.00 0.00 H ATOM 475 N PHE A 313 -6.075 -13.402 15.139 1.00 17.98 N ATOM 476 CA PHE A 313 -5.315 -14.629 14.913 1.00 18.05 C ATOM 477 C PHE A 313 -3.992 -14.287 15.613 1.00 24.16 C ATOM 478 O PHE A 313 -3.066 -13.744 15.005 1.00 24.39 O ATOM 479 CB PHE A 313 -5.141 -14.924 13.410 1.00 19.23 C ATOM 480 CG PHE A 313 -6.373 -15.481 12.718 1.00 19.97 C ATOM 481 CD1 PHE A 313 -6.741 -16.815 12.877 1.00 23.55 C ATOM 482 CD2 PHE A 313 -7.143 -14.678 11.880 1.00 18.91 C ATOM 483 CE1 PHE A 313 -7.848 -17.341 12.192 1.00 23.57 C ATOM 484 CE2 PHE A 313 -8.254 -15.199 11.209 1.00 21.11 C ATOM 485 CZ PHE A 313 -8.593 -16.528 11.360 1.00 20.42 C ATOM 486 H PHE A 313 -6.005 -12.630 14.445 1.00 0.00 H ATOM 487 N SER A 314 -4.007 -14.432 16.945 1.00 21.44 N ATOM 488 CA SER A 314 -2.914 -14.067 17.839 1.00 22.40 C ATOM 489 C SER A 314 -2.710 -15.136 18.912 1.00 28.94 C ATOM 490 O SER A 314 -3.593 -15.984 19.111 1.00 26.85 O ATOM 491 CB SER A 314 -3.183 -12.698 18.464 1.00 23.52 C ATOM 492 OG SER A 314 -4.239 -12.753 19.405 1.00 31.09 O ATOM 493 HG SER A 314 -4.002 -13.386 20.128 1.00 0.00 H ATOM 494 H SER A 314 -4.864 -14.836 17.374 1.00 0.00 H ATOM 495 N ASN A 315 -1.541 -15.099 19.592 1.00 28.22 N ATOM 496 CA ASN A 315 -1.149 -16.085 20.595 1.00 30.69 C ATOM 497 C ASN A 315 -2.122 -16.196 21.766 1.00 36.05 C ATOM 498 O ASN A 315 -2.606 -17.290 22.040 1.00 36.40 O ATOM 499 CB ASN A 315 0.279 -15.854 21.075 1.00 32.29 C ATOM 500 CG ASN A 315 0.909 -17.088 21.665 1.00 48.55 C ATOM 501 OD1 ASN A 315 0.413 -18.212 21.518 1.00 44.36 O ATOM 502 ND2 ASN A 315 2.017 -16.903 22.351 1.00 39.32 N ATOM 503 HD22 ASN A 315 2.409 -15.946 22.457 1.00 0.00 H ATOM 504 HD21 ASN A 315 2.500 -17.714 22.787 1.00 0.00 H ATOM 505 H ASN A 315 -0.882 -14.321 19.388 1.00 0.00 H ATOM 506 N GLN A 316 -2.405 -15.085 22.450 1.00 33.73 N ATOM 507 CA GLN A 316 -3.370 -15.080 23.544 1.00 35.08 C ATOM 508 C GLN A 316 -4.745 -14.955 22.894 1.00 37.23 C ATOM 509 O GLN A 316 -4.899 -14.081 22.038 1.00 35.22 O ATOM 510 CB GLN A 316 -3.130 -13.884 24.495 1.00 37.48 C ATOM 511 CG GLN A 316 -3.991 -13.930 25.764 1.00 59.14 C ATOM 512 CD GLN A 316 -3.929 -12.672 26.596 1.00 82.55 C ATOM 513 OE1 GLN A 316 -2.865 -12.250 27.071 1.00 82.31 O ATOM 514 NE2 GLN A 316 -5.087 -12.089 26.857 1.00 73.41 N ATOM 515 HE22 GLN A 316 -5.964 -12.466 26.444 1.00 0.00 H ATOM 516 HE21 GLN A 316 -5.121 -11.254 27.475 1.00 0.00 H ATOM 517 H GLN A 316 -1.924 -14.199 22.196 1.00 0.00 H ATOM 518 N PRO A 317 -5.744 -15.809 23.238 1.00 34.65 N ATOM 519 CA PRO A 317 -7.076 -15.644 22.634 1.00 32.56 C ATOM 520 C PRO A 317 -7.592 -14.243 22.954 1.00 35.87 C ATOM 521 O PRO A 317 -7.788 -13.900 24.122 1.00 37.62 O ATOM 522 CB PRO A 317 -7.909 -16.766 23.274 1.00 35.74 C ATOM 523 CG PRO A 317 -6.914 -17.735 23.817 1.00 42.29 C ATOM 524 CD PRO A 317 -5.742 -16.908 24.229 1.00 38.30 C ATOM 525 N GLU A 318 -7.640 -13.398 21.912 1.00 29.85 N ATOM 526 CA GLU A 318 -8.029 -11.989 21.965 1.00 27.68 C ATOM 527 C GLU A 318 -9.204 -11.709 21.032 1.00 27.15 C ATOM 528 O GLU A 318 -9.208 -12.138 19.877 1.00 23.63 O ATOM 529 CB GLU A 318 -6.850 -11.082 21.542 1.00 28.36 C ATOM 530 CG GLU A 318 -5.692 -11.003 22.519 1.00 44.19 C ATOM 531 CD GLU A 318 -5.863 -10.075 23.706 1.00 70.07 C ATOM 532 OE1 GLU A 318 -6.666 -9.116 23.616 1.00 72.28 O ATOM 533 OE2 GLU A 318 -5.153 -10.285 24.715 1.00 59.55 O ATOM 534 H GLU A 318 -7.376 -13.780 20.981 1.00 0.00 H ATOM 535 N ARG A 319 -10.181 -10.965 21.551 1.00 24.21 N ATOM 536 CA ARG A 319 -11.362 -10.463 20.854 1.00 23.35 C ATOM 537 C ARG A 319 -11.470 -8.958 21.148 1.00 27.40 C ATOM 538 O ARG A 319 -11.039 -8.510 22.214 1.00 29.06 O ATOM 539 CB ARG A 319 -12.656 -11.197 21.294 1.00 24.06 C ATOM 540 CG ARG A 319 -12.932 -11.159 22.810 1.00 37.82 C ATOM 541 CD ARG A 319 -14.333 -11.578 23.171 1.00 46.40 C ATOM 542 NE ARG A 319 -15.239 -10.433 23.219 1.00 59.01 N ATOM 543 CZ ARG A 319 -15.753 -9.925 24.333 1.00 81.93 C ATOM 544 NH1 ARG A 319 -16.568 -8.881 24.278 1.00 75.52 N ATOM 545 NH2 ARG A 319 -15.463 -10.462 25.512 1.00 73.29 N ATOM 546 HE ARG A 319 -15.500 -9.984 22.318 1.00 0.00 H ATOM 547 HH12 ARG A 319 -16.968 -8.487 25.153 1.00 0.00 H ATOM 548 HH11 ARG A 319 -16.807 -8.456 23.359 1.00 0.00 H ATOM 549 HH22 ARG A 319 -15.869 -10.059 26.381 1.00 0.00 H ATOM 550 HH21 ARG A 319 -14.830 -11.285 25.567 1.00 0.00 H ATOM 551 H ARG A 319 -10.093 -10.716 22.557 1.00 0.00 H ATOM 552 N ALA A 320 -12.044 -8.180 20.229 1.00 21.99 N ATOM 553 CA ALA A 320 -12.233 -6.748 20.475 1.00 21.58 C ATOM 554 C ALA A 320 -13.292 -6.145 19.589 1.00 23.21 C ATOM 555 O ALA A 320 -13.495 -6.607 18.471 1.00 20.90 O ATOM 556 CB ALA A 320 -10.915 -5.990 20.280 1.00 21.92 C ATOM 557 H ALA A 320 -12.361 -8.594 19.329 1.00 0.00 H ATOM 558 N TRP A 321 -13.925 -5.068 20.080 1.00 21.96 N ATOM 559 CA TRP A 321 -14.846 -4.223 19.325 1.00 22.23 C ATOM 560 C TRP A 321 -13.922 -3.193 18.667 1.00 26.11 C ATOM 561 O TRP A 321 -13.140 -2.518 19.353 1.00 25.67 O ATOM 562 CB TRP A 321 -15.895 -3.564 20.240 1.00 22.40 C ATOM 563 CG TRP A 321 -17.071 -4.466 20.514 1.00 23.73 C ATOM 564 CD1 TRP A 321 -17.325 -5.158 21.660 1.00 27.55 C ATOM 565 CD2 TRP A 321 -18.089 -4.852 19.578 1.00 23.37 C ATOM 566 NE1 TRP A 321 -18.471 -5.910 21.517 1.00 27.43 N ATOM 567 CE2 TRP A 321 -18.957 -5.744 20.246 1.00 27.99 C ATOM 568 CE3 TRP A 321 -18.396 -4.470 18.258 1.00 24.01 C ATOM 569 CZ2 TRP A 321 -20.096 -6.279 19.634 1.00 27.50 C ATOM 570 CZ3 TRP A 321 -19.510 -5.017 17.647 1.00 25.41 C ATOM 571 CH2 TRP A 321 -20.346 -5.911 18.330 1.00 26.84 C ATOM 572 HE1 TRP A 321 -18.898 -6.507 22.254 1.00 0.00 H ATOM 573 H TRP A 321 -13.746 -4.816 21.073 1.00 0.00 H ATOM 574 N VAL A 322 -13.908 -3.180 17.332 1.00 21.68 N ATOM 575 CA VAL A 322 -12.994 -2.328 16.575 1.00 20.23 C ATOM 576 C VAL A 322 -13.770 -1.346 15.717 1.00 24.49 C ATOM 577 O VAL A 322 -14.675 -1.752 14.983 1.00 22.57 O ATOM 578 CB VAL A 322 -11.965 -3.162 15.743 1.00 21.81 C ATOM 579 CG1 VAL A 322 -10.873 -2.267 15.140 1.00 21.50 C ATOM 580 CG2 VAL A 322 -11.312 -4.256 16.592 1.00 20.99 C ATOM 581 H VAL A 322 -14.568 -3.795 16.815 1.00 0.00 H ATOM 582 N HIS A 323 -13.378 -0.055 15.784 1.00 22.46 N ATOM 583 CA HIS A 323 -13.954 1.024 14.977 1.00 23.47 C ATOM 584 C HIS A 323 -13.816 0.630 13.506 1.00 27.59 C ATOM 585 O HIS A 323 -12.756 0.140 13.101 1.00 26.70 O ATOM 586 CB HIS A 323 -13.190 2.344 15.231 1.00 24.68 C ATOM 587 CG HIS A 323 -13.918 3.569 14.768 1.00 29.53 C ATOM 588 ND1 HIS A 323 -14.164 3.802 13.423 1.00 31.83 N ATOM 589 CD2 HIS A 323 -14.429 4.594 15.489 1.00 32.30 C ATOM 590 CE1 HIS A 323 -14.825 4.947 13.374 1.00 33.06 C ATOM 591 NE2 HIS A 323 -14.990 5.469 14.589 1.00 33.86 N ATOM 592 H HIS A 323 -12.618 0.189 16.451 1.00 0.00 H ATOM 593 N GLU A 324 -14.896 0.801 12.729 1.00 26.16 N ATOM 594 CA GLU A 324 -14.962 0.487 11.294 1.00 26.83 C ATOM 595 C GLU A 324 -13.799 1.078 10.464 1.00 32.41 C ATOM 596 O GLU A 324 -13.372 0.452 9.493 1.00 33.08 O ATOM 597 CB GLU A 324 -16.329 0.902 10.705 1.00 30.05 C ATOM 598 CG GLU A 324 -16.623 2.399 10.726 1.00 44.07 C ATOM 599 CD GLU A 324 -17.925 2.852 10.088 1.00 69.60 C ATOM 600 OE1 GLU A 324 -18.354 3.994 10.371 1.00 65.72 O ATOM 601 OE2 GLU A 324 -18.520 2.069 9.312 1.00 65.57 O ATOM 602 H GLU A 324 -15.753 1.185 13.176 1.00 0.00 H ATOM 603 N LYS A 325 -13.284 2.266 10.859 1.00 29.21 N ATOM 604 CA LYS A 325 -12.160 2.938 10.185 1.00 29.65 C ATOM 605 C LYS A 325 -10.832 2.190 10.412 1.00 32.31 C ATOM 606 O LYS A 325 -9.870 2.411 9.676 1.00 32.65 O ATOM 607 CB LYS A 325 -12.037 4.398 10.648 1.00 32.54 C ATOM 608 CG LYS A 325 -13.169 5.284 10.141 1.00 49.08 C ATOM 609 CD LYS A 325 -12.995 6.733 10.562 1.00 58.91 C ATOM 610 CE LYS A 325 -14.210 7.558 10.224 1.00 71.48 C ATOM 611 NZ LYS A 325 -14.168 8.888 10.888 1.00 87.98 N ATOM 612 HZ1 LYS A 325 -14.134 8.758 11.919 1.00 0.00 H ATOM 613 HZ2 LYS A 325 -13.321 9.404 10.574 1.00 0.00 H ATOM 614 HZ3 LYS A 325 -15.019 9.428 10.633 1.00 0.00 H ATOM 615 H LYS A 325 -13.707 2.732 11.687 1.00 0.00 H ATOM 616 N ARG A 326 -10.787 1.322 11.434 1.00 26.96 N ATOM 617 CA ARG A 326 -9.602 0.531 11.798 1.00 25.24 C ATOM 618 C ARG A 326 -9.746 -0.933 11.359 1.00 26.93 C ATOM 619 O ARG A 326 -9.003 -1.794 11.816 1.00 25.99 O ATOM 620 CB ARG A 326 -9.334 0.639 13.319 1.00 25.15 C ATOM 621 CG ARG A 326 -8.935 2.035 13.808 1.00 34.50 C ATOM 622 CD ARG A 326 -7.475 2.370 13.548 1.00 50.63 C ATOM 623 NE ARG A 326 -7.147 3.738 13.956 1.00 61.49 N ATOM 624 CZ ARG A 326 -7.233 4.801 13.162 1.00 77.68 C ATOM 625 NH1 ARG A 326 -6.930 6.005 13.624 1.00 76.99 N ATOM 626 NH2 ARG A 326 -7.628 4.669 11.901 1.00 55.51 N ATOM 627 HE ARG A 326 -6.825 3.888 14.933 1.00 0.00 H ATOM 628 HH12 ARG A 326 -6.999 6.834 13.000 1.00 0.00 H ATOM 629 HH11 ARG A 326 -6.624 6.121 14.611 1.00 0.00 H ATOM 630 HH22 ARG A 326 -7.693 5.505 11.286 1.00 0.00 H ATOM 631 HH21 ARG A 326 -7.873 3.729 11.528 1.00 0.00 H ATOM 632 H ARG A 326 -11.647 1.201 12.006 1.00 0.00 H ATOM 633 N VAL A 327 -10.708 -1.209 10.467 1.00 23.50 N ATOM 634 CA VAL A 327 -10.985 -2.546 9.935 1.00 22.09 C ATOM 635 C VAL A 327 -10.907 -2.485 8.409 1.00 28.06 C ATOM 636 O VAL A 327 -11.452 -1.552 7.796 1.00 29.00 O ATOM 637 CB VAL A 327 -12.360 -3.104 10.428 1.00 24.37 C ATOM 638 CG1 VAL A 327 -12.696 -4.439 9.772 1.00 23.77 C ATOM 639 CG2 VAL A 327 -12.401 -3.242 11.948 1.00 22.65 C ATOM 640 H VAL A 327 -11.297 -0.421 10.130 1.00 0.00 H ATOM 641 N ARG A 328 -10.227 -3.481 7.801 1.00 23.86 N ATOM 642 CA ARG A 328 -10.101 -3.605 6.344 1.00 25.07 C ATOM 643 C ARG A 328 -10.314 -5.047 5.938 1.00 28.11 C ATOM 644 O ARG A 328 -9.896 -5.949 6.650 1.00 26.74 O ATOM 645 CB ARG A 328 -8.714 -3.142 5.844 1.00 26.28 C ATOM 646 CG ARG A 328 -8.353 -1.679 6.132 1.00 35.16 C ATOM 647 CD ARG A 328 -9.049 -0.653 5.238 1.00 43.44 C ATOM 648 NE ARG A 328 -8.609 0.705 5.572 1.00 41.19 N ATOM 649 CZ ARG A 328 -9.103 1.433 6.570 1.00 49.20 C ATOM 650 NH1 ARG A 328 -8.616 2.639 6.823 1.00 41.67 N ATOM 651 NH2 ARG A 328 -10.092 0.961 7.320 1.00 27.73 N ATOM 652 HE ARG A 328 -7.859 1.128 4.989 1.00 0.00 H ATOM 653 HH12 ARG A 328 -9.006 3.204 7.604 1.00 0.00 H ATOM 654 HH11 ARG A 328 -7.844 3.021 6.240 1.00 0.00 H ATOM 655 HH22 ARG A 328 -10.474 1.535 8.099 1.00 0.00 H ATOM 656 HH21 ARG A 328 -10.485 0.017 7.129 1.00 0.00 H ATOM 657 H ARG A 328 -9.768 -4.199 8.397 1.00 0.00 H ATOM 658 N GLU A 329 -10.932 -5.270 4.780 1.00 25.10 N ATOM 659 CA GLU A 329 -11.133 -6.613 4.239 1.00 24.12 C ATOM 660 C GLU A 329 -9.761 -7.293 4.074 1.00 25.31 C ATOM 661 O GLU A 329 -8.836 -6.672 3.556 1.00 24.90 O ATOM 662 CB GLU A 329 -11.849 -6.508 2.877 1.00 27.50 C ATOM 663 CG GLU A 329 -11.974 -7.815 2.110 1.00 37.08 C ATOM 664 CD GLU A 329 -12.616 -7.719 0.739 1.00 62.14 C ATOM 665 OE1 GLU A 329 -13.274 -8.704 0.334 1.00 61.48 O ATOM 666 OE2 GLU A 329 -12.455 -6.675 0.064 1.00 57.92 O ATOM 667 H GLU A 329 -11.286 -4.456 4.238 1.00 0.00 H ATOM 668 N TYR A 330 -9.627 -8.540 4.544 1.00 21.64 N ATOM 669 CA TYR A 330 -8.387 -9.295 4.397 1.00 21.81 C ATOM 670 C TYR A 330 -8.423 -9.981 3.037 1.00 28.50 C ATOM 671 O TYR A 330 -9.150 -10.958 2.863 1.00 27.83 O ATOM 672 CB TYR A 330 -8.203 -10.311 5.538 1.00 20.73 C ATOM 673 CG TYR A 330 -6.880 -11.047 5.513 1.00 21.94 C ATOM 674 CD1 TYR A 330 -6.716 -12.206 4.753 1.00 24.13 C ATOM 675 CD2 TYR A 330 -5.825 -10.648 6.326 1.00 22.31 C ATOM 676 CE1 TYR A 330 -5.510 -12.909 4.755 1.00 24.29 C ATOM 677 CE2 TYR A 330 -4.612 -11.338 6.331 1.00 23.93 C ATOM 678 CZ TYR A 330 -4.458 -12.466 5.544 1.00 31.79 C ATOM 679 OH TYR A 330 -3.257 -13.131 5.556 1.00 34.01 O ATOM 680 HH TYR A 330 -3.306 -13.909 4.946 1.00 0.00 H ATOM 681 H TYR A 330 -10.432 -8.984 5.029 1.00 0.00 H ATOM 682 N LYS A 331 -7.655 -9.448 2.065 1.00 27.39 N ATOM 683 CA LYS A 331 -7.585 -9.999 0.703 1.00 29.38 C ATOM 684 C LYS A 331 -6.429 -10.995 0.570 1.00 33.18 C ATOM 685 O LYS A 331 -6.445 -11.847 -0.309 1.00 34.59 O ATOM 686 CB LYS A 331 -7.446 -8.868 -0.338 1.00 33.88 C ATOM 687 CG LYS A 331 -8.629 -7.895 -0.359 1.00 43.14 C ATOM 688 CD LYS A 331 -8.535 -6.871 -1.486 1.00 54.17 C ATOM 689 CE LYS A 331 -7.728 -5.643 -1.133 1.00 63.79 C ATOM 690 NZ LYS A 331 -7.596 -4.716 -2.291 1.00 72.54 N ATOM 691 HZ1 LYS A 331 -7.119 -5.207 -3.074 1.00 0.00 H ATOM 692 HZ2 LYS A 331 -8.541 -4.409 -2.597 1.00 0.00 H ATOM 693 HZ3 LYS A 331 -7.036 -3.887 -2.008 1.00 0.00 H ATOM 694 H LYS A 331 -7.085 -8.607 2.289 1.00 0.00 H ATOM 695 N GLY A 332 -5.440 -10.858 1.446 1.00 29.05 N ATOM 696 CA GLY A 332 -4.243 -11.686 1.488 1.00 29.26 C ATOM 697 C GLY A 332 -3.160 -11.005 2.294 1.00 32.97 C ATOM 698 O GLY A 332 -3.265 -9.809 2.572 1.00 32.12 O ATOM 699 H GLY A 332 -5.527 -10.102 2.155 1.00 0.00 H ATOM 700 N HIS A 333 -2.105 -11.754 2.664 1.00 30.78 N ATOM 701 CA HIS A 333 -1.000 -11.246 3.483 1.00 30.75 C ATOM 702 C HIS A 333 -0.161 -10.144 2.819 1.00 36.46 C ATOM 703 O HIS A 333 0.363 -9.279 3.526 1.00 36.72 O ATOM 704 CB HIS A 333 -0.102 -12.399 3.957 1.00 32.38 C ATOM 705 CG HIS A 333 0.637 -13.098 2.858 1.00 38.29 C ATOM 706 ND1 HIS A 333 -0.023 -13.885 1.929 1.00 41.15 N ATOM 707 CD2 HIS A 333 1.961 -13.121 2.587 1.00 41.84 C ATOM 708 CE1 HIS A 333 0.916 -14.345 1.119 1.00 42.89 C ATOM 709 NE2 HIS A 333 2.124 -13.919 1.481 1.00 43.91 N ATOM 710 H HIS A 333 -2.072 -12.746 2.353 1.00 0.00 H ATOM 711 N LYS A 334 -0.051 -10.158 1.476 1.00 33.62 N ATOM 712 CA LYS A 334 0.733 -9.175 0.721 1.00 34.55 C ATOM 713 C LYS A 334 0.064 -7.782 0.666 1.00 36.95 C ATOM 714 O LYS A 334 0.723 -6.795 0.318 1.00 36.58 O ATOM 715 CB LYS A 334 1.085 -9.715 -0.679 1.00 39.74 C ATOM 716 CG LYS A 334 2.202 -10.759 -0.656 1.00 50.35 C ATOM 717 CD LYS A 334 2.510 -11.295 -2.054 1.00 64.12 C ATOM 718 CE LYS A 334 3.854 -11.983 -2.142 1.00 78.14 C ATOM 719 NZ LYS A 334 3.852 -13.327 -1.501 1.00 86.15 N ATOM 720 HZ1 LYS A 334 3.608 -13.229 -0.495 1.00 0.00 H ATOM 721 HZ2 LYS A 334 3.151 -13.933 -1.972 1.00 0.00 H ATOM 722 HZ3 LYS A 334 4.796 -13.754 -1.590 1.00 0.00 H ATOM 723 H LYS A 334 -0.547 -10.904 0.948 1.00 0.00 H ATOM 724 N GLN A 335 -1.224 -7.700 1.081 1.00 31.97 N ATOM 725 CA GLN A 335 -2.015 -6.466 1.184 1.00 30.92 C ATOM 726 C GLN A 335 -1.435 -5.525 2.272 1.00 34.06 C ATOM 727 O GLN A 335 -1.751 -4.331 2.278 1.00 33.65 O ATOM 728 CB GLN A 335 -3.475 -6.817 1.518 1.00 30.03 C ATOM 729 CG GLN A 335 -4.480 -5.660 1.465 1.00 31.93 C ATOM 730 CD GLN A 335 -5.807 -6.046 2.073 1.00 39.22 C ATOM 731 OE1 GLN A 335 -6.036 -7.198 2.432 1.00 30.71 O ATOM 732 NE2 GLN A 335 -6.709 -5.085 2.230 1.00 30.12 N ATOM 733 HE22 GLN A 335 -6.496 -4.116 1.919 1.00 0.00 H ATOM 734 HE21 GLN A 335 -7.629 -5.301 2.664 1.00 0.00 H ATOM 735 H GLN A 335 -1.693 -8.588 1.350 1.00 0.00 H ATOM 736 N TYR A 336 -0.573 -6.065 3.166 1.00 30.14 N ATOM 737 CA TYR A 336 0.038 -5.327 4.276 1.00 29.19 C ATOM 738 C TYR A 336 0.726 -4.025 3.831 1.00 32.45 C ATOM 739 O TYR A 336 0.531 -2.995 4.480 1.00 30.91 O ATOM 740 CB TYR A 336 0.980 -6.219 5.112 1.00 29.46 C ATOM 741 CG TYR A 336 1.487 -5.536 6.366 1.00 29.27 C ATOM 742 CD1 TYR A 336 0.669 -5.390 7.484 1.00 28.71 C ATOM 743 CD2 TYR A 336 2.781 -5.027 6.432 1.00 30.98 C ATOM 744 CE1 TYR A 336 1.121 -4.734 8.629 1.00 27.82 C ATOM 745 CE2 TYR A 336 3.244 -4.373 7.573 1.00 30.95 C ATOM 746 CZ TYR A 336 2.409 -4.229 8.669 1.00 33.23 C ATOM 747 OH TYR A 336 2.863 -3.601 9.802 1.00 30.70 O ATOM 748 HH TYR A 336 2.142 -3.586 10.481 1.00 0.00 H ATOM 749 H TYR A 336 -0.328 -7.070 3.058 1.00 0.00 H ATOM 750 N GLU A 337 1.461 -4.058 2.709 1.00 30.90 N ATOM 751 CA GLU A 337 2.149 -2.888 2.128 1.00 32.36 C ATOM 752 C GLU A 337 1.158 -1.791 1.735 1.00 34.76 C ATOM 753 O GLU A 337 1.450 -0.614 1.915 1.00 34.44 O ATOM 754 CB GLU A 337 2.960 -3.284 0.882 1.00 36.60 C ATOM 755 CG GLU A 337 4.217 -4.084 1.155 1.00 46.94 C ATOM 756 CD GLU A 337 5.144 -4.210 -0.042 1.00 62.99 C ATOM 757 OE1 GLU A 337 4.653 -4.448 -1.171 1.00 39.74 O ATOM 758 OE2 GLU A 337 6.374 -4.087 0.158 1.00 60.86 O ATOM 759 H GLU A 337 1.552 -4.969 2.215 1.00 0.00 H ATOM 760 N GLU A 338 -0.005 -2.182 1.185 1.00 31.96 N ATOM 761 CA GLU A 338 -1.068 -1.257 0.766 1.00 32.92 C ATOM 762 C GLU A 338 -1.699 -0.568 1.977 1.00 35.45 C ATOM 763 O GLU A 338 -2.116 0.588 1.875 1.00 35.59 O ATOM 764 CB GLU A 338 -2.147 -1.991 -0.040 1.00 34.58 C ATOM 765 CG GLU A 338 -1.631 -2.637 -1.317 1.00 49.91 C ATOM 766 CD GLU A 338 -2.577 -3.646 -1.939 1.00 73.64 C ATOM 767 OE1 GLU A 338 -3.692 -3.246 -2.349 1.00 71.13 O ATOM 768 OE2 GLU A 338 -2.200 -4.837 -2.023 1.00 65.64 O ATOM 769 H GLU A 338 -0.162 -3.201 1.048 1.00 0.00 H ATOM 770 N LEU A 339 -1.772 -1.285 3.124 1.00 30.04 N ATOM 771 CA LEU A 339 -2.316 -0.737 4.360 1.00 28.29 C ATOM 772 C LEU A 339 -1.381 0.349 4.878 1.00 33.78 C ATOM 773 O LEU A 339 -1.851 1.433 5.227 1.00 33.26 O ATOM 774 CB LEU A 339 -2.561 -1.833 5.407 1.00 26.18 C ATOM 775 CG LEU A 339 -3.533 -2.942 4.996 1.00 30.36 C ATOM 776 CD1 LEU A 339 -3.423 -4.123 5.919 1.00 29.31 C ATOM 777 CD2 LEU A 339 -4.963 -2.438 4.912 1.00 31.80 C ATOM 778 H LEU A 339 -1.426 -2.266 3.123 1.00 0.00 H ATOM 779 N LEU A 340 -0.055 0.098 4.826 1.00 31.82 N ATOM 780 CA LEU A 340 0.958 1.084 5.212 1.00 33.19 C ATOM 781 C LEU A 340 0.894 2.303 4.284 1.00 40.23 C ATOM 782 O LEU A 340 0.999 3.433 4.771 1.00 41.14 O ATOM 783 CB LEU A 340 2.381 0.482 5.191 1.00 34.32 C ATOM 784 CG LEU A 340 2.713 -0.658 6.180 1.00 37.51 C ATOM 785 CD1 LEU A 340 4.171 -1.058 6.055 1.00 39.17 C ATOM 786 CD2 LEU A 340 2.418 -0.271 7.626 1.00 37.28 C ATOM 787 H LEU A 340 0.261 -0.837 4.497 1.00 0.00 H ATOM 788 N ALA A 341 0.675 2.072 2.959 1.00 37.46 N ATOM 789 CA ALA A 341 0.577 3.122 1.938 1.00 40.27 C ATOM 790 C ALA A 341 -0.541 4.139 2.219 1.00 44.25 C ATOM 791 O ALA A 341 -0.418 5.285 1.786 1.00 46.09 O ATOM 792 CB ALA A 341 0.414 2.512 0.553 1.00 42.75 C ATOM 793 H ALA A 341 0.570 1.084 2.650 1.00 0.00 H ATOM 794 N GLU A 342 -1.596 3.738 2.985 1.00 38.30 N ATOM 795 CA GLU A 342 -2.708 4.605 3.406 1.00 38.65 C ATOM 796 C GLU A 342 -2.219 5.806 4.230 1.00 45.62 C ATOM 797 O GLU A 342 -2.813 6.885 4.147 1.00 46.67 O ATOM 798 CB GLU A 342 -3.756 3.817 4.211 1.00 37.19 C ATOM 799 CG GLU A 342 -4.817 3.141 3.363 1.00 42.55 C ATOM 800 CD GLU A 342 -5.777 2.246 4.123 1.00 59.76 C ATOM 801 OE1 GLU A 342 -6.280 2.665 5.190 1.00 54.32 O ATOM 802 OE2 GLU A 342 -6.057 1.132 3.627 1.00 55.22 O ATOM 803 H GLU A 342 -1.616 2.745 3.295 1.00 0.00 H ATOM 804 N ALA A 343 -1.132 5.615 5.012 1.00 43.12 N ATOM 805 CA ALA A 343 -0.495 6.657 5.833 1.00 44.00 C ATOM 806 C ALA A 343 0.268 7.653 4.957 1.00 51.73 C ATOM 807 O ALA A 343 0.370 8.831 5.309 1.00 53.19 O ATOM 808 CB ALA A 343 0.455 6.022 6.841 1.00 43.18 C ATOM 809 H ALA A 343 -0.716 4.662 5.035 1.00 0.00 H ATOM 810 N THR A 344 0.806 7.172 3.824 1.00 49.39 N ATOM 811 CA THR A 344 1.569 7.957 2.863 1.00 61.14 C ATOM 812 C THR A 344 0.624 8.750 1.962 1.00101.44 C ATOM 813 O THR A 344 0.320 9.902 2.265 1.00 66.88 O ATOM 814 CB THR A 344 2.548 7.047 2.105 1.00 65.87 C ATOM 815 OG1 THR A 344 3.348 6.344 3.061 1.00 60.02 O ATOM 816 CG2 THR A 344 3.458 7.824 1.153 1.00 68.69 C ATOM 817 HG1 THR A 344 3.984 5.753 2.586 1.00 0.00 H ATOM 818 H THR A 344 0.667 6.162 3.617 1.00 0.00 H TER 819 THR A 344 ATOM 820 N LYS A 355 13.325 6.950 1.824 1.00 76.03 N ATOM 821 CA LYS A 355 12.363 5.914 2.214 1.00 71.94 C ATOM 822 C LYS A 355 12.568 5.501 3.673 1.00 71.76 C ATOM 823 O LYS A 355 13.678 5.125 4.059 1.00 72.96 O ATOM 824 CB LYS A 355 12.453 4.687 1.286 1.00 75.77 C ATOM 825 CG LYS A 355 11.884 4.911 -0.112 1.00 97.74 C ATOM 826 CD LYS A 355 12.116 3.700 -1.012 1.00110.41 C ATOM 827 CE LYS A 355 11.707 3.962 -2.441 1.00123.39 C ATOM 828 NZ LYS A 355 12.074 2.833 -3.336 1.00131.58 N ATOM 829 HZ1 LYS A 355 13.104 2.693 -3.311 1.00 0.00 H ATOM 830 HZ2 LYS A 355 11.597 1.967 -3.013 1.00 0.00 H ATOM 831 HZ3 LYS A 355 11.776 3.052 -4.308 1.00 0.00 H ATOM 832 HN3 LYS A 355 14.292 6.583 1.936 1.00 0.00 H ATOM 833 HN2 LYS A 355 13.197 7.786 2.430 1.00 0.00 H ATOM 834 HN1 LYS A 355 13.166 7.213 0.831 1.00 0.00 H ATOM 835 N ILE A 356 11.502 5.585 4.482 1.00 63.86 N ATOM 836 CA ILE A 356 11.557 5.256 5.910 1.00 61.04 C ATOM 837 C ILE A 356 10.699 4.028 6.257 1.00 61.85 C ATOM 838 O ILE A 356 9.577 3.883 5.759 1.00 60.72 O ATOM 839 CB ILE A 356 11.223 6.485 6.815 1.00 63.57 C ATOM 840 CG1 ILE A 356 11.920 7.783 6.340 1.00 67.10 C ATOM 841 CG2 ILE A 356 11.578 6.200 8.266 1.00 62.86 C ATOM 842 CD1 ILE A 356 11.244 9.099 6.791 1.00 72.89 C ATOM 843 H ILE A 356 10.596 5.897 4.079 1.00 0.00 H ATOM 844 N ARG A 357 11.245 3.145 7.113 1.00 56.47 N ATOM 845 CA ARG A 357 10.577 1.941 7.606 1.00 52.85 C ATOM 846 C ARG A 357 10.641 1.918 9.132 1.00 51.69 C ATOM 847 O ARG A 357 11.666 2.272 9.717 1.00 51.95 O ATOM 848 CB ARG A 357 11.222 0.667 7.024 1.00 56.26 C ATOM 849 CG ARG A 357 10.435 0.036 5.874 1.00 72.61 C ATOM 850 CD ARG A 357 11.104 -1.230 5.354 1.00 87.58 C ATOM 851 NE ARG A 357 11.152 -1.265 3.889 1.00102.02 N ATOM 852 CZ ARG A 357 12.031 -1.967 3.177 1.00122.33 C ATOM 853 NH1 ARG A 357 12.954 -2.702 3.785 1.00113.67 N ATOM 854 NH2 ARG A 357 11.997 -1.934 1.851 1.00110.95 N ATOM 855 HE ARG A 357 10.449 -0.701 3.369 1.00 0.00 H ATOM 856 HH12 ARG A 357 13.638 -3.248 3.223 1.00 0.00 H ATOM 857 HH11 ARG A 357 12.994 -2.732 4.824 1.00 0.00 H ATOM 858 HH22 ARG A 357 12.686 -2.484 1.299 1.00 0.00 H ATOM 859 HH21 ARG A 357 11.281 -1.358 1.363 1.00 0.00 H ATOM 860 H ARG A 357 12.212 3.332 7.448 1.00 0.00 H ATOM 861 N LYS A 358 9.541 1.506 9.773 1.00 44.11 N ATOM 862 CA LYS A 358 9.455 1.413 11.226 1.00 41.74 C ATOM 863 C LYS A 358 9.769 -0.008 11.695 1.00 45.43 C ATOM 864 O LYS A 358 9.183 -0.962 11.172 1.00 42.36 O ATOM 865 CB LYS A 358 8.066 1.815 11.720 1.00 40.89 C ATOM 866 CG LYS A 358 7.747 3.275 11.527 1.00 50.30 C ATOM 867 CD LYS A 358 6.350 3.554 11.981 1.00 53.90 C ATOM 868 CE LYS A 358 5.972 4.977 11.692 1.00 58.46 C ATOM 869 NZ LYS A 358 4.512 5.096 11.535 1.00 58.75 N ATOM 870 HZ1 LYS A 358 4.199 4.494 10.747 1.00 0.00 H ATOM 871 HZ2 LYS A 358 4.044 4.791 12.412 1.00 0.00 H ATOM 872 HZ3 LYS A 358 4.266 6.086 11.335 1.00 0.00 H ATOM 873 H LYS A 358 8.709 1.240 9.209 1.00 0.00 H ATOM 874 N PRO A 359 10.660 -0.189 12.696 1.00 44.35 N ATOM 875 CA PRO A 359 10.914 -1.553 13.185 1.00 44.60 C ATOM 876 C PRO A 359 9.818 -2.023 14.148 1.00 47.30 C ATOM 877 O PRO A 359 9.044 -1.219 14.672 1.00 46.08 O ATOM 878 CB PRO A 359 12.255 -1.416 13.900 1.00 48.80 C ATOM 879 CG PRO A 359 12.232 -0.026 14.433 1.00 53.07 C ATOM 880 CD PRO A 359 11.439 0.809 13.458 1.00 47.15 C ATOM 881 N ARG A 360 9.768 -3.333 14.377 1.00 44.08 N ATOM 882 CA ARG A 360 8.867 -3.977 15.327 1.00 42.27 C ATOM 883 C ARG A 360 9.576 -5.181 15.952 1.00 47.09 C ATOM 884 O ARG A 360 10.422 -5.784 15.278 1.00 47.76 O ATOM 885 CB ARG A 360 7.504 -4.311 14.701 1.00 40.99 C ATOM 886 CG ARG A 360 6.461 -3.265 15.079 1.00 50.08 C ATOM 887 CD ARG A 360 5.233 -3.301 14.209 1.00 57.21 C ATOM 888 NE ARG A 360 4.454 -2.067 14.327 1.00 65.67 N ATOM 889 CZ ARG A 360 4.555 -1.036 13.494 1.00 81.55 C ATOM 890 NH1 ARG A 360 3.806 0.044 13.672 1.00 65.98 N ATOM 891 NH2 ARG A 360 5.405 -1.077 12.473 1.00 72.33 N ATOM 892 HE ARG A 360 3.778 -1.992 15.114 1.00 0.00 H ATOM 893 HH12 ARG A 360 3.889 0.848 13.017 1.00 0.00 H ATOM 894 HH11 ARG A 360 3.136 0.087 14.466 1.00 0.00 H ATOM 895 HH22 ARG A 360 5.479 -0.267 11.825 1.00 0.00 H ATOM 896 HH21 ARG A 360 5.996 -1.919 12.322 1.00 0.00 H ATOM 897 H ARG A 360 10.418 -3.942 13.840 1.00 0.00 H ATOM 898 N PRO A 361 9.335 -5.493 17.255 1.00 44.16 N ATOM 899 CA PRO A 361 10.057 -6.619 17.884 1.00 45.73 C ATOM 900 C PRO A 361 9.921 -7.927 17.120 1.00 48.15 C ATOM 901 O PRO A 361 8.857 -8.206 16.562 1.00 44.56 O ATOM 902 CB PRO A 361 9.443 -6.719 19.286 1.00 47.55 C ATOM 903 CG PRO A 361 8.791 -5.423 19.527 1.00 50.87 C ATOM 904 CD PRO A 361 8.391 -4.859 18.201 1.00 44.69 C ATOM 905 N GLN A 362 11.023 -8.701 17.062 1.00 47.23 N ATOM 906 CA GLN A 362 11.105 -9.998 16.379 1.00 47.66 C ATOM 907 C GLN A 362 10.027 -10.949 16.901 1.00 49.67 C ATOM 908 O GLN A 362 9.367 -11.612 16.100 1.00 47.83 O ATOM 909 CB GLN A 362 12.500 -10.626 16.551 1.00 52.89 C ATOM 910 CG GLN A 362 13.642 -9.792 15.966 1.00 75.87 C ATOM 911 CD GLN A 362 15.013 -10.394 16.189 1.00101.57 C ATOM 912 OE1 GLN A 362 15.353 -10.886 17.275 1.00 99.68 O ATOM 913 NE2 GLN A 362 15.856 -10.315 15.172 1.00 95.63 N ATOM 914 HE22 GLN A 362 15.546 -9.898 14.271 1.00 0.00 H ATOM 915 HE21 GLN A 362 16.828 -10.670 15.274 1.00 0.00 H ATOM 916 H GLN A 362 11.880 -8.353 17.537 1.00 0.00 H ATOM 917 N ARG A 363 9.822 -10.966 18.240 1.00 47.16 N ATOM 918 CA ARG A 363 8.835 -11.785 18.954 1.00 46.35 C ATOM 919 C ARG A 363 7.418 -11.459 18.507 1.00 45.96 C ATOM 920 O ARG A 363 6.595 -12.370 18.392 1.00 45.31 O ATOM 921 CB ARG A 363 8.981 -11.621 20.477 1.00 50.65 C ATOM 922 CG ARG A 363 10.203 -12.331 21.054 1.00 71.42 C ATOM 923 CD ARG A 363 10.342 -12.117 22.549 1.00 91.30 C ATOM 924 NE ARG A 363 11.578 -12.710 23.067 1.00110.27 N ATOM 925 CZ ARG A 363 11.977 -12.636 24.334 1.00131.59 C ATOM 926 NH1 ARG A 363 11.240 -11.994 25.234 1.00120.37 N ATOM 927 NH2 ARG A 363 13.115 -13.204 24.711 1.00122.64 N ATOM 928 HE ARG A 363 12.185 -13.224 22.398 1.00 0.00 H ATOM 929 HH12 ARG A 363 11.557 -11.940 26.223 1.00 0.00 H ATOM 930 HH11 ARG A 363 10.346 -11.546 24.950 1.00 0.00 H ATOM 931 HH22 ARG A 363 13.423 -13.144 25.703 1.00 0.00 H ATOM 932 HH21 ARG A 363 13.699 -13.710 24.015 1.00 0.00 H ATOM 933 H ARG A 363 10.420 -10.340 18.816 1.00 0.00 H ATOM 934 N GLU A 364 7.142 -10.165 18.228 1.00 39.79 N ATOM 935 CA GLU A 364 5.848 -9.701 17.732 1.00 36.26 C ATOM 936 C GLU A 364 5.674 -10.158 16.284 1.00 38.21 C ATOM 937 O GLU A 364 4.599 -10.647 15.926 1.00 35.70 O ATOM 938 CB GLU A 364 5.738 -8.180 17.828 1.00 36.85 C ATOM 939 CG GLU A 364 4.321 -7.672 17.640 1.00 42.63 C ATOM 940 CD GLU A 364 4.171 -6.220 18.034 1.00 57.47 C ATOM 941 OE1 GLU A 364 4.019 -5.943 19.246 1.00 60.41 O ATOM 942 OE2 GLU A 364 4.269 -5.354 17.137 1.00 46.12 O ATOM 943 H GLU A 364 7.893 -9.460 18.375 1.00 0.00 H ATOM 944 N ARG A 365 6.745 -10.019 15.461 1.00 34.93 N ATOM 945 CA ARG A 365 6.746 -10.450 14.063 1.00 33.48 C ATOM 946 C ARG A 365 6.500 -11.962 13.967 1.00 37.63 C ATOM 947 O ARG A 365 5.770 -12.396 13.074 1.00 36.15 O ATOM 948 CB ARG A 365 8.063 -10.042 13.361 1.00 33.31 C ATOM 949 CG ARG A 365 8.171 -10.441 11.883 1.00 41.06 C ATOM 950 CD ARG A 365 7.038 -9.875 11.029 1.00 45.57 C ATOM 951 NE ARG A 365 6.873 -10.595 9.765 1.00 47.07 N ATOM 952 CZ ARG A 365 7.491 -10.277 8.631 1.00 62.15 C ATOM 953 NH1 ARG A 365 7.272 -10.981 7.529 1.00 55.66 N ATOM 954 NH2 ARG A 365 8.335 -9.252 8.592 1.00 44.19 N ATOM 955 HE ARG A 365 6.228 -11.411 9.753 1.00 0.00 H ATOM 956 HH12 ARG A 365 7.758 -10.728 6.645 1.00 0.00 H ATOM 957 HH11 ARG A 365 6.614 -11.786 7.549 1.00 0.00 H ATOM 958 HH22 ARG A 365 8.816 -9.008 7.703 1.00 0.00 H ATOM 959 HH21 ARG A 365 8.515 -8.694 9.451 1.00 0.00 H ATOM 960 H ARG A 365 7.609 -9.584 15.844 1.00 0.00 H ATOM 961 N ALA A 366 7.091 -12.752 14.898 1.00 35.63 N ATOM 962 CA ALA A 366 6.932 -14.211 14.953 1.00 36.14 C ATOM 963 C ALA A 366 5.473 -14.601 15.221 1.00 37.31 C ATOM 964 O ALA A 366 4.949 -15.487 14.541 1.00 37.38 O ATOM 965 CB ALA A 366 7.847 -14.811 16.012 1.00 39.60 C ATOM 966 H ALA A 366 7.692 -12.298 15.615 1.00 0.00 H ATOM 967 N GLN A 367 4.810 -13.922 16.178 1.00 31.13 N ATOM 968 CA GLN A 367 3.406 -14.195 16.489 1.00 29.20 C ATOM 969 C GLN A 367 2.472 -13.727 15.354 1.00 29.83 C ATOM 970 O GLN A 367 1.461 -14.383 15.089 1.00 28.41 O ATOM 971 CB GLN A 367 2.990 -13.598 17.848 1.00 30.70 C ATOM 972 CG GLN A 367 3.764 -14.152 19.068 1.00 53.38 C ATOM 973 CD GLN A 367 3.723 -15.664 19.283 1.00 72.29 C ATOM 974 OE1 GLN A 367 2.801 -16.377 18.857 1.00 66.71 O ATOM 975 NE2 GLN A 367 4.717 -16.179 19.998 1.00 60.47 N ATOM 976 HE22 GLN A 367 5.480 -15.564 20.346 1.00 0.00 H ATOM 977 HE21 GLN A 367 4.732 -17.197 20.210 1.00 0.00 H ATOM 978 H GLN A 367 5.311 -13.182 16.711 1.00 0.00 H ATOM 979 N TRP A 368 2.838 -12.622 14.669 1.00 25.70 N ATOM 980 CA TRP A 368 2.105 -12.070 13.522 1.00 24.51 C ATOM 981 C TRP A 368 2.199 -13.049 12.340 1.00 28.38 C ATOM 982 O TRP A 368 1.190 -13.296 11.681 1.00 26.19 O ATOM 983 CB TRP A 368 2.664 -10.682 13.157 1.00 23.75 C ATOM 984 CG TRP A 368 1.929 -9.939 12.080 1.00 23.70 C ATOM 985 CD1 TRP A 368 0.912 -9.046 12.248 1.00 25.10 C ATOM 986 CD2 TRP A 368 2.245 -9.928 10.680 1.00 24.43 C ATOM 987 NE1 TRP A 368 0.558 -8.495 11.036 1.00 24.11 N ATOM 988 CE2 TRP A 368 1.350 -9.029 10.055 1.00 26.75 C ATOM 989 CE3 TRP A 368 3.198 -10.597 9.888 1.00 27.68 C ATOM 990 CZ2 TRP A 368 1.376 -8.783 8.679 1.00 26.70 C ATOM 991 CZ3 TRP A 368 3.225 -10.351 8.525 1.00 29.85 C ATOM 992 CH2 TRP A 368 2.327 -9.447 7.934 1.00 29.52 C ATOM 993 HE1 TRP A 368 -0.190 -7.788 10.890 1.00 0.00 H ATOM 994 H TRP A 368 3.700 -12.127 14.975 1.00 0.00 H ATOM 995 N ASP A 369 3.390 -13.666 12.129 1.00 26.78 N ATOM 996 CA ASP A 369 3.599 -14.661 11.073 1.00 27.09 C ATOM 997 C ASP A 369 2.739 -15.911 11.267 1.00 31.13 C ATOM 998 O ASP A 369 2.293 -16.490 10.274 1.00 30.33 O ATOM 999 CB ASP A 369 5.085 -15.032 10.921 1.00 30.85 C ATOM 1000 CG ASP A 369 5.978 -13.928 10.364 1.00 36.89 C ATOM 1001 OD1 ASP A 369 5.450 -13.003 9.700 1.00 34.60 O ATOM 1002 OD2 ASP A 369 7.199 -13.981 10.603 1.00 43.16 O ATOM 1003 H ASP A 369 4.191 -13.421 12.745 1.00 0.00 H ATOM 1004 N ILE A 370 2.508 -16.334 12.535 1.00 28.23 N ATOM 1005 CA ILE A 370 1.666 -17.508 12.832 1.00 27.26 C ATOM 1006 C ILE A 370 0.199 -17.168 12.547 1.00 26.30 C ATOM 1007 O ILE A 370 -0.502 -17.957 11.913 1.00 25.39 O ATOM 1008 CB ILE A 370 1.904 -18.106 14.251 1.00 31.56 C ATOM 1009 CG1 ILE A 370 3.392 -18.485 14.444 1.00 34.47 C ATOM 1010 CG2 ILE A 370 1.013 -19.344 14.482 1.00 32.96 C ATOM 1011 CD1 ILE A 370 3.875 -18.585 15.905 1.00 40.76 C ATOM 1012 H ILE A 370 2.939 -15.813 13.325 1.00 0.00 H ATOM 1013 N GLY A 371 -0.225 -15.981 12.977 1.00 21.58 N ATOM 1014 CA GLY A 371 -1.575 -15.476 12.745 1.00 19.06 C ATOM 1015 C GLY A 371 -1.874 -15.316 11.267 1.00 22.87 C ATOM 1016 O GLY A 371 -2.972 -15.654 10.818 1.00 19.88 O ATOM 1017 H GLY A 371 0.441 -15.382 13.506 1.00 0.00 H ATOM 1018 N ILE A 372 -0.869 -14.832 10.487 1.00 22.08 N ATOM 1019 CA ILE A 372 -0.973 -14.668 9.030 1.00 22.51 C ATOM 1020 C ILE A 372 -1.132 -16.051 8.386 1.00 26.62 C ATOM 1021 O ILE A 372 -1.971 -16.225 7.501 1.00 25.56 O ATOM 1022 CB ILE A 372 0.245 -13.871 8.476 1.00 26.85 C ATOM 1023 CG1 ILE A 372 0.101 -12.339 8.725 1.00 24.89 C ATOM 1024 CG2 ILE A 372 0.569 -14.193 7.005 1.00 30.38 C ATOM 1025 CD1 ILE A 372 -1.044 -11.605 8.037 1.00 23.38 C ATOM 1026 H ILE A 372 0.023 -14.563 10.948 1.00 0.00 H ATOM 1027 N ALA A 373 -0.347 -17.028 8.858 1.00 25.28 N ATOM 1028 CA ALA A 373 -0.396 -18.408 8.375 1.00 27.00 C ATOM 1029 C ALA A 373 -1.795 -19.005 8.616 1.00 30.90 C ATOM 1030 O ALA A 373 -2.330 -19.663 7.724 1.00 33.04 O ATOM 1031 CB ALA A 373 0.690 -19.237 9.041 1.00 29.56 C ATOM 1032 H ALA A 373 0.334 -16.793 9.608 1.00 0.00 H ATOM 1033 N HIS A 374 -2.423 -18.702 9.775 1.00 25.26 N ATOM 1034 CA HIS A 374 -3.795 -19.155 10.072 1.00 24.21 C ATOM 1035 C HIS A 374 -4.795 -18.465 9.152 1.00 26.68 C ATOM 1036 O HIS A 374 -5.717 -19.116 8.675 1.00 25.77 O ATOM 1037 CB HIS A 374 -4.185 -18.898 11.540 1.00 22.98 C ATOM 1038 CG HIS A 374 -3.646 -19.912 12.502 1.00 26.76 C ATOM 1039 ND1 HIS A 374 -4.177 -21.189 12.580 1.00 29.25 N ATOM 1040 CD2 HIS A 374 -2.680 -19.784 13.438 1.00 28.21 C ATOM 1041 CE1 HIS A 374 -3.509 -21.798 13.543 1.00 29.74 C ATOM 1042 NE2 HIS A 374 -2.593 -20.995 14.084 1.00 29.80 N ATOM 1043 H HIS A 374 -1.920 -18.129 10.482 1.00 0.00 H ATOM 1044 N ALA A 375 -4.599 -17.153 8.894 1.00 23.65 N ATOM 1045 CA ALA A 375 -5.462 -16.352 8.023 1.00 23.09 C ATOM 1046 C ALA A 375 -5.407 -16.833 6.559 1.00 28.12 C ATOM 1047 O ALA A 375 -6.429 -16.801 5.872 1.00 27.55 O ATOM 1048 CB ALA A 375 -5.093 -14.884 8.117 1.00 22.79 C ATOM 1049 H ALA A 375 -3.786 -16.684 9.341 1.00 0.00 H ATOM 1050 N GLU A 376 -4.224 -17.296 6.100 1.00 26.14 N ATOM 1051 CA GLU A 376 -4.037 -17.818 4.743 1.00 27.60 C ATOM 1052 C GLU A 376 -4.795 -19.125 4.556 1.00 32.76 C ATOM 1053 O GLU A 376 -5.420 -19.329 3.513 1.00 33.27 O ATOM 1054 CB GLU A 376 -2.549 -17.985 4.400 1.00 30.07 C ATOM 1055 CG GLU A 376 -1.835 -16.670 4.126 1.00 32.72 C ATOM 1056 CD GLU A 376 -2.441 -15.812 3.033 1.00 42.79 C ATOM 1057 OE1 GLU A 376 -2.496 -16.276 1.871 1.00 38.84 O ATOM 1058 OE2 GLU A 376 -2.864 -14.675 3.339 1.00 38.20 O ATOM 1059 H GLU A 376 -3.405 -17.281 6.741 1.00 0.00 H ATOM 1060 N LYS A 377 -4.784 -19.980 5.590 1.00 29.82 N ATOM 1061 CA LYS A 377 -5.504 -21.249 5.589 1.00 31.33 C ATOM 1062 C LYS A 377 -7.010 -20.988 5.587 1.00 32.87 C ATOM 1063 O LYS A 377 -7.734 -21.636 4.832 1.00 33.41 O ATOM 1064 CB LYS A 377 -5.104 -22.116 6.796 1.00 34.98 C ATOM 1065 CG LYS A 377 -3.699 -22.682 6.690 1.00 53.77 C ATOM 1066 CD LYS A 377 -3.490 -23.886 7.589 1.00 67.32 C ATOM 1067 CE LYS A 377 -2.163 -24.544 7.288 1.00 82.52 C ATOM 1068 NZ LYS A 377 -1.938 -25.758 8.116 1.00 94.47 N ATOM 1069 HZ1 LYS A 377 -1.949 -25.497 9.123 1.00 0.00 H ATOM 1070 HZ2 LYS A 377 -2.692 -26.449 7.928 1.00 0.00 H ATOM 1071 HZ3 LYS A 377 -1.016 -26.175 7.875 1.00 0.00 H ATOM 1072 H LYS A 377 -4.234 -19.725 6.435 1.00 0.00 H ATOM 1073 N ALA A 378 -7.464 -20.015 6.408 1.00 26.25 N ATOM 1074 CA ALA A 378 -8.866 -19.600 6.550 1.00 24.99 C ATOM 1075 C ALA A 378 -9.434 -19.023 5.229 1.00 30.10 C ATOM 1076 O ALA A 378 -10.592 -19.261 4.912 1.00 29.59 O ATOM 1077 CB ALA A 378 -8.982 -18.566 7.669 1.00 23.62 C ATOM 1078 H ALA A 378 -6.760 -19.517 6.989 1.00 0.00 H ATOM 1079 N LEU A 379 -8.596 -18.289 4.459 1.00 28.07 N ATOM 1080 CA LEU A 379 -8.930 -17.655 3.182 1.00 28.71 C ATOM 1081 C LEU A 379 -9.269 -18.671 2.094 1.00 33.87 C ATOM 1082 O LEU A 379 -10.065 -18.363 1.206 1.00 33.65 O ATOM 1083 CB LEU A 379 -7.766 -16.728 2.747 1.00 29.24 C ATOM 1084 CG LEU A 379 -8.021 -15.686 1.631 1.00 34.74 C ATOM 1085 CD1 LEU A 379 -9.057 -14.641 2.046 1.00 33.10 C ATOM 1086 CD2 LEU A 379 -6.730 -14.987 1.238 1.00 37.80 C ATOM 1087 H LEU A 379 -7.624 -18.164 4.807 1.00 0.00 H ATOM 1088 N LYS A 380 -8.687 -19.889 2.195 1.00 30.91 N ATOM 1089 CA LYS A 380 -8.868 -21.018 1.277 1.00 33.08 C ATOM 1090 C LYS A 380 -10.158 -21.801 1.583 1.00 37.98 C ATOM 1091 O LYS A 380 -10.566 -22.665 0.800 1.00 39.80 O ATOM 1092 CB LYS A 380 -7.640 -21.948 1.345 1.00 35.87 C ATOM 1093 CG LYS A 380 -6.371 -21.340 0.749 1.00 46.30 C ATOM 1094 CD LYS A 380 -5.138 -22.170 1.073 1.00 54.98 C ATOM 1095 CE LYS A 380 -3.869 -21.401 0.810 1.00 70.21 C ATOM 1096 NZ LYS A 380 -2.705 -22.006 1.508 1.00 83.04 N ATOM 1097 HZ1 LYS A 380 -2.880 -22.009 2.533 1.00 0.00 H ATOM 1098 HZ2 LYS A 380 -2.572 -22.982 1.175 1.00 0.00 H ATOM 1099 HZ3 LYS A 380 -1.851 -21.449 1.303 1.00 0.00 H ATOM 1100 H LYS A 380 -8.049 -20.039 3.003 1.00 0.00 H ATOM 1101 N MET A 381 -10.795 -21.488 2.715 1.00 32.86 N ATOM 1102 CA MET A 381 -12.028 -22.123 3.176 1.00 32.54 C ATOM 1103 C MET A 381 -13.244 -21.320 2.757 1.00 34.79 C ATOM 1104 O MET A 381 -13.120 -20.158 2.371 1.00 32.97 O ATOM 1105 CB MET A 381 -12.041 -22.199 4.716 1.00 33.32 C ATOM 1106 CG MET A 381 -10.873 -22.929 5.311 1.00 37.47 C ATOM 1107 SD MET A 381 -11.067 -23.074 7.096 1.00 40.21 S ATOM 1108 CE MET A 381 -9.635 -24.081 7.466 1.00 38.44 C ATOM 1109 H MET A 381 -10.385 -20.740 3.310 1.00 0.00 H ATOM 1110 N THR A 382 -14.440 -21.930 2.897 1.00 32.18 N ATOM 1111 CA THR A 382 -15.708 -21.234 2.687 1.00 31.49 C ATOM 1112 C THR A 382 -15.973 -20.533 4.027 1.00 33.20 C ATOM 1113 O THR A 382 -15.281 -20.828 5.013 1.00 30.96 O ATOM 1114 CB THR A 382 -16.847 -22.201 2.276 1.00 34.96 C ATOM 1115 OG1 THR A 382 -17.125 -23.101 3.343 1.00 29.65 O ATOM 1116 CG2 THR A 382 -16.543 -22.973 0.999 1.00 34.16 C ATOM 1117 HG1 THR A 382 -17.853 -23.715 3.074 1.00 0.00 H ATOM 1118 H THR A 382 -14.460 -22.935 3.165 1.00 0.00 H ATOM 1119 N ARG A 383 -16.928 -19.587 4.060 1.00 29.81 N ATOM 1120 CA ARG A 383 -17.280 -18.844 5.271 1.00 28.37 C ATOM 1121 C ARG A 383 -17.743 -19.815 6.384 1.00 33.27 C ATOM 1122 O ARG A 383 -17.307 -19.682 7.532 1.00 31.74 O ATOM 1123 CB ARG A 383 -18.350 -17.788 4.945 1.00 28.51 C ATOM 1124 CG ARG A 383 -18.580 -16.758 6.042 1.00 37.88 C ATOM 1125 CD ARG A 383 -19.321 -15.533 5.531 1.00 48.67 C ATOM 1126 NE ARG A 383 -20.703 -15.829 5.138 1.00 58.73 N ATOM 1127 CZ ARG A 383 -21.782 -15.530 5.859 1.00 70.34 C ATOM 1128 NH1 ARG A 383 -22.992 -15.830 5.407 1.00 63.47 N ATOM 1129 NH2 ARG A 383 -21.659 -14.921 7.034 1.00 45.62 N ATOM 1130 HE ARG A 383 -20.851 -16.309 4.227 1.00 0.00 H ATOM 1131 HH12 ARG A 383 -23.832 -15.595 5.973 1.00 0.00 H ATOM 1132 HH11 ARG A 383 -23.101 -16.301 4.486 1.00 0.00 H ATOM 1133 HH22 ARG A 383 -22.506 -14.691 7.592 1.00 0.00 H ATOM 1134 HH21 ARG A 383 -20.716 -14.675 7.396 1.00 0.00 H ATOM 1135 H ARG A 383 -17.442 -19.373 3.182 1.00 0.00 H ATOM 1136 N GLU A 384 -18.572 -20.813 6.021 1.00 31.62 N ATOM 1137 CA GLU A 384 -19.077 -21.847 6.933 1.00 32.09 C ATOM 1138 C GLU A 384 -17.940 -22.663 7.555 1.00 32.99 C ATOM 1139 O GLU A 384 -17.928 -22.848 8.773 1.00 31.38 O ATOM 1140 CB GLU A 384 -20.071 -22.775 6.217 1.00 36.12 C ATOM 1141 CG GLU A 384 -21.480 -22.206 6.155 1.00 51.10 C ATOM 1142 CD GLU A 384 -22.502 -23.061 5.428 1.00 79.34 C ATOM 1143 OE1 GLU A 384 -22.564 -24.283 5.694 1.00 76.96 O ATOM 1144 OE2 GLU A 384 -23.266 -22.497 4.611 1.00 77.49 O ATOM 1145 H GLU A 384 -18.875 -20.854 5.027 1.00 0.00 H ATOM 1146 N GLU A 385 -16.970 -23.104 6.725 1.00 29.06 N ATOM 1147 CA GLU A 385 -15.813 -23.890 7.161 1.00 29.22 C ATOM 1148 C GLU A 385 -14.982 -23.119 8.176 1.00 31.28 C ATOM 1149 O GLU A 385 -14.655 -23.644 9.240 1.00 32.03 O ATOM 1150 CB GLU A 385 -14.943 -24.305 5.964 1.00 31.45 C ATOM 1151 CG GLU A 385 -15.559 -25.408 5.118 1.00 42.38 C ATOM 1152 CD GLU A 385 -14.785 -25.831 3.886 1.00 57.83 C ATOM 1153 OE1 GLU A 385 -14.910 -27.016 3.502 1.00 57.96 O ATOM 1154 OE2 GLU A 385 -14.078 -24.984 3.288 1.00 49.14 O ATOM 1155 H GLU A 385 -17.049 -22.871 5.714 1.00 0.00 H ATOM 1156 N ARG A 386 -14.689 -21.860 7.847 1.00 25.37 N ATOM 1157 CA ARG A 386 -13.940 -20.892 8.630 1.00 22.96 C ATOM 1158 C ARG A 386 -14.595 -20.652 10.002 1.00 24.69 C ATOM 1159 O ARG A 386 -13.902 -20.678 11.014 1.00 23.92 O ATOM 1160 CB ARG A 386 -13.906 -19.590 7.835 1.00 21.68 C ATOM 1161 CG ARG A 386 -12.742 -18.706 8.114 1.00 31.67 C ATOM 1162 CD ARG A 386 -12.870 -17.475 7.255 1.00 34.17 C ATOM 1163 NE ARG A 386 -12.749 -17.803 5.836 1.00 41.71 N ATOM 1164 CZ ARG A 386 -13.500 -17.281 4.875 1.00 49.84 C ATOM 1165 NH1 ARG A 386 -14.442 -16.395 5.168 1.00 34.27 N ATOM 1166 NH2 ARG A 386 -13.317 -17.642 3.615 1.00 35.43 N ATOM 1167 HE ARG A 386 -12.023 -18.494 5.560 1.00 0.00 H ATOM 1168 HH12 ARG A 386 -15.028 -15.989 4.411 1.00 0.00 H ATOM 1169 HH11 ARG A 386 -14.595 -16.106 6.155 1.00 0.00 H ATOM 1170 HH22 ARG A 386 -13.908 -17.230 2.865 1.00 0.00 H ATOM 1171 HH21 ARG A 386 -12.582 -18.338 3.375 1.00 0.00 H ATOM 1172 H ARG A 386 -15.037 -21.533 6.923 1.00 0.00 H ATOM 1173 N ILE A 387 -15.920 -20.409 10.032 1.00 21.55 N ATOM 1174 CA ILE A 387 -16.665 -20.199 11.280 1.00 21.59 C ATOM 1175 C ILE A 387 -16.494 -21.454 12.165 1.00 27.50 C ATOM 1176 O ILE A 387 -16.097 -21.331 13.321 1.00 26.85 O ATOM 1177 CB ILE A 387 -18.164 -19.853 11.007 1.00 25.15 C ATOM 1178 CG1 ILE A 387 -18.317 -18.448 10.385 1.00 24.38 C ATOM 1179 CG2 ILE A 387 -19.006 -19.971 12.277 1.00 25.31 C ATOM 1180 CD1 ILE A 387 -19.629 -18.229 9.553 1.00 29.42 C ATOM 1181 H ILE A 387 -16.438 -20.368 9.131 1.00 0.00 H ATOM 1182 N GLU A 388 -16.718 -22.654 11.594 1.00 25.21 N ATOM 1183 CA GLU A 388 -16.546 -23.928 12.302 1.00 26.52 C ATOM 1184 C GLU A 388 -15.124 -24.102 12.865 1.00 32.20 C ATOM 1185 O GLU A 388 -14.961 -24.353 14.059 1.00 33.95 O ATOM 1186 CB GLU A 388 -16.926 -25.109 11.381 1.00 29.65 C ATOM 1187 CG GLU A 388 -16.832 -26.491 12.024 1.00 42.55 C ATOM 1188 CD GLU A 388 -17.645 -26.732 13.285 1.00 55.10 C ATOM 1189 OE1 GLU A 388 -18.780 -26.215 13.380 1.00 44.38 O ATOM 1190 OE2 GLU A 388 -17.140 -27.442 14.183 1.00 50.06 O ATOM 1191 H GLU A 388 -17.028 -22.678 10.602 1.00 0.00 H ATOM 1192 N GLN A 389 -14.112 -23.920 12.010 1.00 27.58 N ATOM 1193 CA GLN A 389 -12.702 -24.101 12.333 1.00 27.38 C ATOM 1194 C GLN A 389 -12.090 -23.122 13.331 1.00 28.85 C ATOM 1195 O GLN A 389 -11.218 -23.531 14.109 1.00 28.22 O ATOM 1196 CB GLN A 389 -11.859 -24.037 11.042 1.00 28.37 C ATOM 1197 CG GLN A 389 -11.958 -25.266 10.169 1.00 44.19 C ATOM 1198 CD GLN A 389 -11.007 -26.329 10.626 1.00 59.10 C ATOM 1199 OE1 GLN A 389 -9.781 -26.213 10.452 1.00 49.93 O ATOM 1200 NE2 GLN A 389 -11.563 -27.371 11.236 1.00 48.76 N ATOM 1201 HE22 GLN A 389 -12.595 -27.415 11.354 1.00 0.00 H ATOM 1202 HE21 GLN A 389 -10.966 -28.143 11.596 1.00 0.00 H ATOM 1203 H GLN A 389 -14.349 -23.627 11.041 1.00 0.00 H ATOM 1204 N TYR A 390 -12.472 -21.832 13.258 1.00 22.82 N ATOM 1205 CA TYR A 390 -11.794 -20.780 14.017 1.00 21.22 C ATOM 1206 C TYR A 390 -12.587 -20.067 15.095 1.00 25.07 C ATOM 1207 O TYR A 390 -11.940 -19.481 15.958 1.00 24.59 O ATOM 1208 CB TYR A 390 -11.201 -19.730 13.051 1.00 20.28 C ATOM 1209 CG TYR A 390 -10.198 -20.342 12.096 1.00 21.66 C ATOM 1210 CD1 TYR A 390 -8.915 -20.687 12.523 1.00 23.69 C ATOM 1211 CD2 TYR A 390 -10.553 -20.646 10.784 1.00 22.39 C ATOM 1212 CE1 TYR A 390 -8.002 -21.289 11.659 1.00 25.48 C ATOM 1213 CE2 TYR A 390 -9.655 -21.266 9.916 1.00 24.37 C ATOM 1214 CZ TYR A 390 -8.377 -21.570 10.352 1.00 32.87 C ATOM 1215 OH TYR A 390 -7.508 -22.177 9.485 1.00 35.87 O ATOM 1216 HH TYR A 390 -6.642 -22.328 9.940 1.00 0.00 H ATOM 1217 H TYR A 390 -13.272 -21.576 12.644 1.00 0.00 H ATOM 1218 N THR A 391 -13.943 -20.102 15.084 1.00 21.03 N ATOM 1219 CA THR A 391 -14.695 -19.397 16.124 1.00 20.49 C ATOM 1220 C THR A 391 -14.341 -19.885 17.516 1.00 23.41 C ATOM 1221 O THR A 391 -14.356 -21.082 17.773 1.00 22.60 O ATOM 1222 CB THR A 391 -16.211 -19.393 15.887 1.00 25.45 C ATOM 1223 OG1 THR A 391 -16.467 -19.027 14.533 1.00 18.77 O ATOM 1224 CG2 THR A 391 -16.938 -18.427 16.824 1.00 25.03 C ATOM 1225 HG1 THR A 391 -16.035 -19.681 13.928 1.00 0.00 H ATOM 1226 H THR A 391 -14.446 -20.627 14.340 1.00 0.00 H ATOM 1227 N PHE A 392 -14.026 -18.929 18.404 1.00 20.05 N ATOM 1228 CA PHE A 392 -13.657 -19.154 19.792 1.00 21.18 C ATOM 1229 C PHE A 392 -14.773 -19.796 20.587 1.00 29.80 C ATOM 1230 O PHE A 392 -15.957 -19.585 20.301 1.00 28.24 O ATOM 1231 CB PHE A 392 -13.292 -17.818 20.464 1.00 21.42 C ATOM 1232 CG PHE A 392 -12.012 -17.134 20.033 1.00 20.69 C ATOM 1233 CD1 PHE A 392 -11.003 -17.843 19.380 1.00 22.62 C ATOM 1234 CD2 PHE A 392 -11.784 -15.793 20.339 1.00 20.76 C ATOM 1235 CE1 PHE A 392 -9.802 -17.214 19.017 1.00 22.26 C ATOM 1236 CE2 PHE A 392 -10.570 -15.179 20.006 1.00 21.90 C ATOM 1237 CZ PHE A 392 -9.601 -15.886 19.325 1.00 19.96 C ATOM 1238 H PHE A 392 -14.048 -17.944 18.071 1.00 0.00 H ATOM 1239 N ILE A 393 -14.382 -20.577 21.600 1.00 32.18 N ATOM 1240 CA ILE A 393 -15.304 -21.202 22.545 1.00 35.97 C ATOM 1241 C ILE A 393 -15.201 -20.342 23.808 1.00 40.32 C ATOM 1242 O ILE A 393 -14.095 -19.996 24.231 1.00 39.83 O ATOM 1243 CB ILE A 393 -14.990 -22.711 22.750 1.00 42.75 C ATOM 1244 CG1 ILE A 393 -15.221 -23.492 21.427 1.00 43.52 C ATOM 1245 CG2 ILE A 393 -15.825 -23.328 23.898 1.00 46.67 C ATOM 1246 CD1 ILE A 393 -14.281 -24.708 21.224 1.00 58.67 C ATOM 1247 H ILE A 393 -13.364 -20.749 21.722 1.00 0.00 H ATOM 1248 N TYR A 394 -16.345 -19.893 24.318 1.00 38.04 N ATOM 1249 CA TYR A 394 -16.404 -19.039 25.499 1.00 39.31 C ATOM 1250 C TYR A 394 -16.884 -19.829 26.709 1.00 48.87 C ATOM 1251 O TYR A 394 -17.885 -20.544 26.622 1.00 50.27 O ATOM 1252 CB TYR A 394 -17.275 -17.793 25.242 1.00 38.16 C ATOM 1253 CG TYR A 394 -16.691 -16.887 24.185 1.00 35.60 C ATOM 1254 CD1 TYR A 394 -15.712 -15.951 24.506 1.00 36.97 C ATOM 1255 CD2 TYR A 394 -17.084 -16.992 22.853 1.00 33.95 C ATOM 1256 CE1 TYR A 394 -15.143 -15.136 23.530 1.00 36.12 C ATOM 1257 CE2 TYR A 394 -16.531 -16.173 21.869 1.00 32.51 C ATOM 1258 CZ TYR A 394 -15.557 -15.248 22.213 1.00 39.00 C ATOM 1259 OH TYR A 394 -15.007 -14.427 21.261 1.00 35.94 O ATOM 1260 HH TYR A 394 -14.571 -14.978 20.563 1.00 0.00 H ATOM 1261 H TYR A 394 -17.236 -20.163 23.854 1.00 0.00 H ATOM 1262 N ILE A 395 -16.144 -19.720 27.827 1.00 48.43 N ATOM 1263 CA ILE A 395 -16.434 -20.440 29.073 1.00 52.69 C ATOM 1264 C ILE A 395 -16.727 -19.464 30.219 1.00 58.78 C ATOM 1265 O ILE A 395 -15.968 -18.514 30.432 1.00 57.52 O ATOM 1266 CB ILE A 395 -15.300 -21.466 29.402 1.00 57.77 C ATOM 1267 CG1 ILE A 395 -15.207 -22.566 28.329 1.00 57.48 C ATOM 1268 CG2 ILE A 395 -15.465 -22.097 30.785 1.00 63.11 C ATOM 1269 CD1 ILE A 395 -14.027 -22.439 27.437 1.00 63.79 C ATOM 1270 H ILE A 395 -15.318 -19.089 27.808 1.00 0.00 H ATOM 1271 N ASP A 396 -17.837 -19.708 30.944 1.00 58.55 N ATOM 1272 CA ASP A 396 -18.291 -18.905 32.081 1.00 89.79 C ATOM 1273 C ASP A 396 -17.405 -19.148 33.303 1.00107.57 C ATOM 1274 O ASP A 396 -16.493 -18.367 33.571 1.00 64.65 O ATOM 1275 CB ASP A 396 -19.760 -19.225 32.406 1.00 93.80 C ATOM 1276 CG ASP A 396 -20.385 -18.315 33.445 1.00106.47 C ATOM 1277 OD1 ASP A 396 -20.661 -17.141 33.117 1.00104.93 O ATOM 1278 OD2 ASP A 396 -20.630 -18.788 34.576 1.00117.17 O ATOM 1279 H ASP A 396 -18.415 -20.530 30.675 1.00 0.00 H TER 1280 ASP A 396 HETATM 1281 O HOH 1 -15.664 -14.907 18.728 1.00 15.03 O HETATM 1282 O HOH 2 -6.572 -14.595 19.625 1.00 25.24 O HETATM 1283 O HOH 3 -1.696 0.609 16.046 1.00 27.71 O HETATM 1284 O HOH 4 2.902 -9.169 4.424 1.00 38.04 O HETATM 1285 O HOH 5 -1.075 -22.224 16.096 1.00 24.62 O HETATM 1286 O HOH 6 -3.713 -4.311 15.345 1.00 20.10 O HETATM 1287 O HOH 7 -18.218 -15.631 18.557 1.00 24.87 O HETATM 1288 O HOH 8 -19.755 -23.690 13.138 1.00 33.37 O HETATM 1289 O HOH 9 -23.238 -12.049 9.844 1.00 39.82 O HETATM 1290 O HOH 10 7.439 -6.044 -1.405 1.00 38.66 O HETATM 1291 O HOH 11 -1.766 2.213 7.835 1.00 27.31 O HETATM 1292 O HOH 12 4.265 -13.667 7.337 1.00 43.25 O HETATM 1293 O HOH 13 -26.206 -4.713 15.738 1.00 43.46 O HETATM 1294 O HOH 14 -19.335 -6.622 24.723 1.00 57.54 O HETATM 1295 O HOH 15 -11.471 -11.695 1.631 1.00 44.26 O HETATM 1296 O HOH 16 -19.983 -23.378 10.489 1.00 36.15 O HETATM 1297 O HOH 17 -1.360 -22.551 20.992 1.00 25.99 O HETATM 1298 O HOH 18 4.023 -2.644 17.375 1.00 35.55 O HETATM 1299 O HOH 19 -19.368 -24.657 3.223 1.00 30.80 O HETATM 1300 O HOH 20 -18.575 -20.362 20.205 1.00 35.62 O HETATM 1301 O HOH 21 -17.537 -16.562 14.031 1.00 26.91 O HETATM 1302 O HOH 22 -23.566 1.999 22.009 1.00 38.27 O HETATM 1303 O HOH 23 -4.513 -18.059 1.266 1.00 36.83 O HETATM 1304 O HOH 24 -2.791 -19.484 23.669 1.00 41.25 O HETATM 1305 O HOH 25 -0.606 -20.767 5.890 1.00 49.87 O HETATM 1306 O HOH 26 -17.713 5.109 21.937 1.00 47.12 O HETATM 1307 O HOH 27 -2.702 1.548 -0.644 1.00 38.28 O HETATM 1308 O HOH 28 -17.278 -0.543 22.253 1.00 39.79 O HETATM 1309 O HOH 29 -25.011 -8.719 14.273 1.00 40.24 O HETATM 1310 O HOH 30 -7.104 0.791 19.869 1.00 42.93 O HETATM 1311 O HOH 31 6.373 -17.574 13.340 1.00 40.28 O HETATM 1312 O HOH 32 5.440 -2.533 10.058 1.00 44.93 O HETATM 1313 O HOH 33 -9.430 -15.787 14.944 1.00 18.36 O HETATM 1314 O HOH 34 -15.549 -23.459 16.658 1.00 37.65 O HETATM 1315 O HOH 35 -13.754 -0.161 20.761 1.00 44.29 O HETATM 1316 O HOH 36 -16.430 2.314 21.869 1.00 46.73 O HETATM 1317 O HOH 37 -0.509 -20.599 22.700 1.00 36.36 O HETATM 1318 O HOH 38 -11.721 -2.977 3.336 1.00 36.90 O HETATM 1319 O HOH 39 -13.611 -10.040 4.161 1.00 36.66 O HETATM 1320 O HOH 40 0.791 -1.823 10.567 1.00 26.74 O HETATM 1321 O HOH 41 -10.471 -1.603 19.733 1.00 34.20 O HETATM 1322 O HOH 42 -5.439 -23.350 11.050 1.00 36.73 O HETATM 1323 O HOH 43 7.010 1.532 8.468 1.00 42.68 O HETATM 1324 O HOH 44 -24.644 -14.846 18.742 1.00 40.15 O HETATM 1325 O HOH 45 8.294 -16.293 11.878 1.00 50.54 O HETATM 1326 O HOH 46 -19.459 -15.819 16.069 1.00 24.17 O HETATM 1327 O HOH 47 3.639 4.159 5.646 1.00 36.65 O HETATM 1328 O HOH 48 2.992 -6.856 -1.471 1.00 41.61 O HETATM 1329 O HOH 49 -12.859 -4.076 22.646 1.00 32.53 O HETATM 1330 O HOH 50 -3.005 3.841 12.396 1.00 37.62 O HETATM 1331 O HOH 51 -13.801 -13.010 4.122 1.00 36.59 O HETATM 1332 O HOH 52 -1.507 -11.896 -0.460 1.00 34.09 O HETATM 1333 O HOH 53 3.446 -19.498 22.739 1.00 43.19 O HETATM 1334 O HOH 54 -2.910 -14.311 -0.351 1.00 37.76 O HETATM 1335 O HOH 55 -1.482 -1.637 22.759 1.00 54.42 O HETATM 1336 O HOH 56 0.296 -12.676 19.619 1.00 30.93 O HETATM 1337 O HOH 57 -25.940 -2.069 14.554 1.00 30.53 O HETATM 1338 O HOH 58 -14.650 -26.663 8.746 1.00 45.51 O HETATM 1339 O HOH 59 -27.027 -6.192 21.111 1.00 38.13 O HETATM 1340 O HOH 60 -11.778 -26.524 14.590 1.00 48.28 O HETATM 1341 O HOH 61 -5.567 4.524 7.574 1.00 42.31 O HETATM 1342 O HOH 62 -14.796 11.537 20.686 1.00 42.29 O HETATM 1343 O HOH 63 2.345 -3.041 -2.755 1.00 44.40 O HETATM 1344 O HOH 64 -10.018 -10.411 24.662 1.00 26.81 O HETATM 1345 O HOH 65 -6.904 2.275 16.907 1.00 43.68 O HETATM 1346 O HOH 66 -13.155 -1.088 5.082 1.00 48.32 O HETATM 1347 O HOH 67 -11.501 -8.206 -2.645 1.00 56.65 O HETATM 1348 O HOH 68 -19.618 1.916 22.832 1.00 43.71 O HETATM 1349 O HOH 69 -15.744 7.816 16.837 1.00 55.66 O HETATM 1350 O HOH 70 -9.618 0.514 17.257 1.00 67.55 O HETATM 1351 O HOH 71 -26.483 -10.954 10.595 1.00 56.32 O HETATM 1352 O HOH 72 -3.715 -9.865 -1.863 1.00 41.84 O HETATM 1353 O HOH 73 -19.018 -26.195 7.227 1.00 54.78 O HETATM 1354 O HOH 74 -16.677 8.780 13.875 1.00 50.71 O HETATM 1355 O HOH 75 -27.047 -0.050 15.943 1.00 41.83 O HETATM 1356 O HOH 76 5.942 2.702 5.438 1.00 46.33 O HETATM 1357 O HOH 77 -12.894 -27.326 6.776 1.00 58.40 O HETATM 1358 O HOH 78 -17.397 -13.327 27.319 1.00 56.89 O HETATM 1359 O HOH 79 -15.765 -26.092 17.639 1.00 40.30 O HETATM 1360 O HOH 80 -20.724 -25.678 9.278 1.00 42.29 O HETATM 1361 O HOH 81 -19.559 -17.806 19.904 1.00 44.34 O HETATM 1362 O HOH 82 -6.423 -24.602 13.464 1.00 47.10 O HETATM 1363 O HOH 83 3.750 -11.776 4.829 1.00 38.06 O HETATM 1364 O HOH 84 -20.133 -18.325 22.877 1.00 49.88 O HETATM 1365 O HOH 85 -17.098 -27.786 8.292 1.00 41.66 O HETATM 1366 C4 EH A 2 -1.630 -19.062 17.761 1.00 0.01 C HETATM 1367 C7 EH A 2 -2.503 -18.466 16.813 1.00 -0.02 C HETATM 1368 C14 EH A 2 -2.090 -17.301 16.148 1.00 -0.05 C HETATM 1369 C16 EH A 2 -0.859 -16.729 16.424 1.00 -0.06 C HETATM 1370 C15 EH A 2 -0.023 -17.295 17.366 1.00 -0.06 C HETATM 1371 C13 EH A 2 -0.392 -18.464 18.018 1.00 -0.05 C HETATM 1372 H3 EH A 2 0.285 -18.917 18.733 1.00 0.06 H HETATM 1373 H4 EH A 2 0.926 -16.825 17.598 1.00 0.06 H HETATM 1374 H7 EH A 2 -0.550 -15.833 15.898 1.00 0.06 H HETATM 1375 H6 EH A 2 -2.741 -16.844 15.411 1.00 0.06 H HETATM 1376 C2 EH A 2 -3.809 -19.075 16.517 1.00 -0.06 C HETATM 1377 C5 EH A 2 -5.006 -18.490 16.520 1.00 -0.05 C HETATM 1378 C3 EH A 2 -6.280 -19.139 16.295 1.00 0.03 C HETATM 1379 C9 EH A 2 -7.521 -18.514 16.296 1.00 -0.06 C HETATM 1380 C11 EH A 2 -8.598 -19.439 16.070 1.00 -0.07 C HETATM 1381 C8 EH A 2 -8.157 -20.707 15.909 1.00 -0.00 C HETATM 1382 S6 EH A 2 -6.438 -20.832 16.002 1.00 -0.04 S HETATM 1383 H2 EH A 2 -8.815 -21.558 15.739 1.00 0.08 H HETATM 1384 H5 EH A 2 -9.648 -19.152 16.033 1.00 0.04 H HETATM 1385 H9 EH A 2 -7.662 -17.445 16.450 1.00 0.05 H HETATM 1386 H1 EH A 2 -5.028 -17.418 16.710 1.00 0.06 H HETATM 1387 H8 EH A 2 -3.796 -20.134 16.264 1.00 0.06 H HETATM 1388 C1 EH A 2 -1.978 -20.292 18.570 1.00 0.06 C HETATM 1389 O10 EH A 2 -3.071 -20.311 19.178 1.00 -0.56 O HETATM 1390 O12 EH A 2 -1.145 -21.228 18.612 1.00 -0.56 O CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 820 821 832 833 834 CONECT 832 820 CONECT 833 820 CONECT 834 820 CONECT 1366 1367 1371 1388 CONECT 1367 1366 1368 1376 CONECT 1368 1367 1369 1375 CONECT 1369 1368 1370 1374 CONECT 1370 1369 1371 1373 CONECT 1371 1366 1370 1372 CONECT 1372 1371 CONECT 1373 1370 CONECT 1374 1369 CONECT 1375 1368 CONECT 1376 1367 1377 1387 CONECT 1377 1376 1378 1386 CONECT 1378 1377 1379 1382 CONECT 1379 1378 1380 1385 CONECT 1380 1379 1381 1384 CONECT 1381 1380 1382 1383 CONECT 1382 1378 1381 CONECT 1383 1381 CONECT 1384 1380 CONECT 1385 1379 CONECT 1386 1377 CONECT 1387 1376 CONECT 1388 1366 1389 1390 CONECT 1389 1388 CONECT 1390 1388 MASTER 0 0 0 0 0 0 0 0 1388 2 33 11 END
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Structure:
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Related entries of code: 6g24
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6g2o
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%
6g2c
RCSB PDB
PDBbind
136aa, >6G2C_1|Chain... at 100%
6g2b
RCSB PDB
PDBbind
136aa, >6G2B_1|Chain... at 100%
6g29
RCSB PDB
PDBbind
136aa, >6G29_1|Chain... at 100%
6g27
RCSB PDB
PDBbind
136aa, >6G27_1|Chain... at 100%
6g25
RCSB PDB
PDBbind
136aa, >6G25_1|Chain... at 100%
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
6g24
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone-lysine N-methyltransferase NSD3
Ligand Name
EH2
EC.Number
E.C.2.1.1.43
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=1700uM
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
3
H
1
0
O
2
S
Molecular Weight
230.282
Exact Mass
230.040
No. of atoms
26
No. of bonds
27
Polar Surface Area
65.54
LOGP Value
4.52 (
Computed with XLOGP3
)
3.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
OC(=O)c1ccccc1/C=C/c1cccs1
InChI String
InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9BZ95
Entrez Gene ID
NCBI Entrez Gene ID:
54904
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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