Browse entries in the PDBbind-CN Database
HEADER 6E6J_COMPLEX COMPND 6E6J_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 HIS MET GLU GLN LEU LYS HIS CYS ASN GLY ILE LEU LYS SEQRES 2 A 109 GLU LEU LEU SER LYS LYS HIS ALA ALA TYR ALA TRP PRO SEQRES 3 A 109 PHE TYR LYS PRO VAL ASP ALA SER ALA LEU GLY LEU HIS SEQRES 4 A 109 ASP TYR HIS ASP ILE ILE LYS HIS PRO MET ASP LEU SER SEQRES 5 A 109 THR VAL LYS ARG LYS MET GLU ASN ARG ASP TYR ARG ASP SEQRES 6 A 109 ALA GLN GLU PHE ALA ALA ASP VAL ARG LEU MET PHE SER SEQRES 7 A 109 ASN CYS TYR LYS TYR ASN PRO PRO ASP HIS ASP VAL VAL SEQRES 8 A 109 ALA MET ALA ARG LYS LEU GLN ASP VAL PHE GLU PHE ARG SEQRES 9 A 109 TYR ALA LYS MET PRO HET HWV A 189 66 ATOM 1 N HIS A 346 44.203 -5.450 18.360 1.00 83.10 N ATOM 2 CA HIS A 346 43.848 -5.932 19.692 1.00 83.21 C ATOM 3 C HIS A 346 43.075 -7.255 19.640 1.00 85.23 C ATOM 4 O HIS A 346 42.113 -7.387 18.881 1.00 84.30 O ATOM 5 CB HIS A 346 43.059 -4.854 20.465 1.00 84.60 C ATOM 6 CG HIS A 346 42.959 -5.069 21.948 1.00 88.42 C ATOM 7 ND1 HIS A 346 42.152 -4.263 22.733 1.00 90.44 N ATOM 8 CD2 HIS A 346 43.592 -5.962 22.749 1.00 90.46 C ATOM 9 CE1 HIS A 346 42.298 -4.703 23.972 1.00 90.04 C ATOM 10 NE2 HIS A 346 43.153 -5.727 24.030 1.00 90.37 N ATOM 11 HN3 HIS A 346 43.336 -5.298 17.805 1.00 0.00 H ATOM 12 HN2 HIS A 346 44.801 -6.156 17.885 1.00 0.00 H ATOM 13 HN1 HIS A 346 44.724 -4.554 18.444 1.00 0.00 H ATOM 14 N MET A 347 43.516 -8.232 20.454 1.00 81.03 N ATOM 15 CA MET A 347 42.948 -9.584 20.582 1.00 80.17 C ATOM 16 C MET A 347 41.500 -9.595 21.079 1.00 78.90 C ATOM 17 O MET A 347 40.702 -10.436 20.649 1.00 77.38 O ATOM 18 CB MET A 347 43.850 -10.485 21.463 1.00 83.22 C ATOM 19 CG MET A 347 44.266 -9.860 22.804 1.00 87.89 C ATOM 20 SD MET A 347 46.056 -9.861 23.116 1.00 93.02 S ATOM 21 CE MET A 347 46.568 -8.403 22.140 1.00 89.74 C ATOM 22 H MET A 347 44.338 -8.010 21.051 1.00 0.00 H ATOM 23 N GLU A 348 41.175 -8.652 21.984 1.00 72.84 N ATOM 24 CA GLU A 348 39.857 -8.489 22.597 1.00 71.07 C ATOM 25 C GLU A 348 38.820 -8.020 21.577 1.00 69.15 C ATOM 26 O GLU A 348 37.731 -8.593 21.528 1.00 68.66 O ATOM 27 CB GLU A 348 39.944 -7.501 23.776 1.00 72.84 C ATOM 28 CG GLU A 348 38.869 -7.693 24.837 1.00 85.09 C ATOM 29 CD GLU A 348 38.697 -6.546 25.819 1.00108.07 C ATOM 30 OE1 GLU A 348 39.709 -5.900 26.179 1.00 97.80 O ATOM 31 OE2 GLU A 348 37.541 -6.298 26.235 1.00104.43 O ATOM 32 H GLU A 348 41.921 -7.986 22.270 1.00 0.00 H ATOM 33 N GLN A 349 39.153 -6.996 20.758 1.00 61.53 N ATOM 34 CA GLN A 349 38.212 -6.479 19.763 1.00 59.55 C ATOM 35 C GLN A 349 37.999 -7.442 18.590 1.00 58.54 C ATOM 36 O GLN A 349 36.866 -7.535 18.118 1.00 57.86 O ATOM 37 CB GLN A 349 38.552 -5.059 19.298 1.00 60.90 C ATOM 38 CG GLN A 349 39.855 -4.886 18.538 1.00 68.36 C ATOM 39 CD GLN A 349 40.199 -3.431 18.451 1.00 74.49 C ATOM 40 OE1 GLN A 349 39.895 -2.641 19.346 1.00 71.32 O ATOM 41 NE2 GLN A 349 40.840 -3.040 17.375 1.00 62.48 N ATOM 42 HE22 GLN A 349 41.084 -3.729 16.635 1.00 0.00 H ATOM 43 HE21 GLN A 349 41.104 -2.041 17.262 1.00 0.00 H ATOM 44 H GLN A 349 40.097 -6.567 20.837 1.00 0.00 H ATOM 45 N LEU A 350 39.033 -8.217 18.179 1.00 51.56 N ATOM 46 CA LEU A 350 38.853 -9.233 17.130 1.00 50.26 C ATOM 47 C LEU A 350 37.870 -10.326 17.568 1.00 52.90 C ATOM 48 O LEU A 350 37.094 -10.805 16.747 1.00 53.31 O ATOM 49 CB LEU A 350 40.178 -9.817 16.613 1.00 50.06 C ATOM 50 CG LEU A 350 41.073 -8.858 15.795 1.00 53.78 C ATOM 51 CD1 LEU A 350 42.439 -9.464 15.569 1.00 52.76 C ATOM 52 CD2 LEU A 350 40.413 -8.456 14.458 1.00 55.80 C ATOM 53 H LEU A 350 39.970 -8.091 18.613 1.00 0.00 H ATOM 54 N LYS A 351 37.826 -10.630 18.880 1.00 48.87 N ATOM 55 CA LYS A 351 36.872 -11.569 19.491 1.00 47.97 C ATOM 56 C LYS A 351 35.454 -10.995 19.420 1.00 51.24 C ATOM 57 O LYS A 351 34.508 -11.736 19.176 1.00 51.46 O ATOM 58 CB LYS A 351 37.262 -11.863 20.950 1.00 50.49 C ATOM 59 CG LYS A 351 36.605 -13.122 21.509 1.00 68.28 C ATOM 60 CD LYS A 351 35.725 -12.829 22.734 1.00 78.19 C ATOM 61 CE LYS A 351 34.927 -14.031 23.197 1.00 85.11 C ATOM 62 NZ LYS A 351 35.790 -15.115 23.748 1.00 88.94 N ATOM 63 HZ1 LYS A 351 36.453 -15.435 23.014 1.00 0.00 H ATOM 64 HZ2 LYS A 351 36.323 -14.751 24.564 1.00 0.00 H ATOM 65 HZ3 LYS A 351 35.194 -15.912 24.049 1.00 0.00 H ATOM 66 H LYS A 351 38.516 -10.168 19.506 1.00 0.00 H ATOM 67 N HIS A 352 35.309 -9.670 19.592 1.00 48.10 N ATOM 68 CA HIS A 352 34.003 -8.998 19.508 1.00 47.50 C ATOM 69 C HIS A 352 33.493 -8.987 18.079 1.00 47.68 C ATOM 70 O HIS A 352 32.296 -9.161 17.857 1.00 47.39 O ATOM 71 CB HIS A 352 34.071 -7.569 20.079 1.00 49.05 C ATOM 72 CG HIS A 352 34.404 -7.492 21.540 1.00 53.23 C ATOM 73 ND1 HIS A 352 33.671 -8.198 22.493 1.00 55.70 N ATOM 74 CD2 HIS A 352 35.334 -6.738 22.177 1.00 55.72 C ATOM 75 CE1 HIS A 352 34.211 -7.887 23.664 1.00 55.42 C ATOM 76 NE2 HIS A 352 35.214 -7.011 23.527 1.00 55.76 N ATOM 77 H HIS A 352 36.153 -9.097 19.792 1.00 0.00 H ATOM 78 N CYS A 353 34.420 -8.833 17.106 1.00 42.83 N ATOM 79 CA CYS A 353 34.167 -8.842 15.655 1.00 41.01 C ATOM 80 C CYS A 353 33.602 -10.171 15.177 1.00 45.56 C ATOM 81 O CYS A 353 32.686 -10.176 14.358 1.00 45.88 O ATOM 82 CB CYS A 353 35.429 -8.462 14.893 1.00 40.08 C ATOM 83 SG CYS A 353 35.904 -6.733 15.090 1.00 43.08 S ATOM 84 H CYS A 353 35.405 -8.695 17.411 1.00 0.00 H ATOM 85 N ASN A 354 34.107 -11.288 15.736 1.00 43.18 N ATOM 86 CA ASN A 354 33.635 -12.658 15.493 1.00 43.37 C ATOM 87 C ASN A 354 32.177 -12.795 15.939 1.00 45.85 C ATOM 88 O ASN A 354 31.376 -13.452 15.258 1.00 46.42 O ATOM 89 CB ASN A 354 34.514 -13.666 16.254 1.00 49.48 C ATOM 90 CG ASN A 354 35.198 -14.690 15.383 1.00 75.53 C ATOM 91 OD1 ASN A 354 34.660 -15.159 14.369 1.00 72.44 O ATOM 92 ND2 ASN A 354 36.401 -15.072 15.777 1.00 67.58 N ATOM 93 HD22 ASN A 354 36.824 -14.659 16.633 1.00 0.00 H ATOM 94 HD21 ASN A 354 36.925 -15.786 15.231 1.00 0.00 H ATOM 95 H ASN A 354 34.901 -11.170 16.398 1.00 0.00 H ATOM 96 N GLY A 355 31.839 -12.119 17.044 1.00 40.51 N ATOM 97 CA GLY A 355 30.483 -12.050 17.581 1.00 38.82 C ATOM 98 C GLY A 355 29.540 -11.344 16.636 1.00 41.38 C ATOM 99 O GLY A 355 28.430 -11.830 16.390 1.00 42.36 O ATOM 100 H GLY A 355 32.590 -11.610 17.552 1.00 0.00 H ATOM 101 N ILE A 356 29.983 -10.199 16.072 1.00 37.70 N ATOM 102 CA ILE A 356 29.198 -9.406 15.090 1.00 36.75 C ATOM 103 C ILE A 356 28.954 -10.251 13.855 1.00 40.71 C ATOM 104 O ILE A 356 27.813 -10.355 13.403 1.00 39.34 O ATOM 105 CB ILE A 356 29.868 -8.047 14.733 1.00 39.28 C ATOM 106 CG1 ILE A 356 30.022 -7.171 15.990 1.00 40.95 C ATOM 107 CG2 ILE A 356 29.092 -7.308 13.632 1.00 36.89 C ATOM 108 CD1 ILE A 356 30.971 -5.995 15.843 1.00 51.87 C ATOM 109 H ILE A 356 30.926 -9.853 16.340 1.00 0.00 H ATOM 110 N LEU A 357 30.031 -10.875 13.330 1.00 39.24 N ATOM 111 CA LEU A 357 29.959 -11.753 12.160 1.00 40.72 C ATOM 112 C LEU A 357 28.965 -12.921 12.361 1.00 44.83 C ATOM 113 O LEU A 357 28.116 -13.138 11.502 1.00 44.16 O ATOM 114 CB LEU A 357 31.368 -12.245 11.780 1.00 41.11 C ATOM 115 CG LEU A 357 31.500 -13.090 10.517 1.00 44.90 C ATOM 116 CD1 LEU A 357 31.012 -12.330 9.278 1.00 44.05 C ATOM 117 CD2 LEU A 357 32.914 -13.540 10.360 1.00 46.90 C ATOM 118 H LEU A 357 30.957 -10.724 13.779 1.00 0.00 H ATOM 119 N LYS A 358 29.024 -13.604 13.521 1.00 43.71 N ATOM 120 CA LYS A 358 28.096 -14.689 13.905 1.00 44.99 C ATOM 121 C LYS A 358 26.649 -14.185 13.921 1.00 50.73 C ATOM 122 O LYS A 358 25.752 -14.885 13.447 1.00 52.50 O ATOM 123 CB LYS A 358 28.500 -15.277 15.270 1.00 48.43 C ATOM 124 CG LYS A 358 27.622 -16.419 15.789 1.00 60.27 C ATOM 125 CD LYS A 358 28.137 -16.921 17.142 1.00 60.21 C ATOM 126 CE LYS A 358 27.575 -18.270 17.508 1.00 69.81 C ATOM 127 NZ LYS A 358 28.505 -19.032 18.389 1.00 77.33 N ATOM 128 HZ1 LYS A 358 29.409 -19.176 17.895 1.00 0.00 H ATOM 129 HZ2 LYS A 358 28.669 -18.496 19.265 1.00 0.00 H ATOM 130 HZ3 LYS A 358 28.084 -19.955 18.620 1.00 0.00 H ATOM 131 H LYS A 358 29.775 -13.350 14.194 1.00 0.00 H ATOM 132 N GLU A 359 26.433 -12.951 14.414 1.00 47.09 N ATOM 133 CA GLU A 359 25.119 -12.300 14.447 1.00 46.76 C ATOM 134 C GLU A 359 24.639 -11.982 13.023 1.00 50.61 C ATOM 135 O GLU A 359 23.465 -12.195 12.726 1.00 51.02 O ATOM 136 CB GLU A 359 25.176 -11.039 15.345 1.00 48.35 C ATOM 137 CG GLU A 359 23.937 -10.155 15.376 1.00 58.63 C ATOM 138 CD GLU A 359 22.749 -10.608 16.205 1.00 89.05 C ATOM 139 OE1 GLU A 359 22.844 -11.645 16.905 1.00 85.39 O ATOM 140 OE2 GLU A 359 21.711 -9.909 16.155 1.00 86.25 O ATOM 141 H GLU A 359 27.247 -12.428 14.795 1.00 0.00 H ATOM 142 N LEU A 360 25.539 -11.501 12.132 1.00 45.81 N ATOM 143 CA LEU A 360 25.158 -11.180 10.746 1.00 44.59 C ATOM 144 C LEU A 360 24.745 -12.427 9.968 1.00 50.10 C ATOM 145 O LEU A 360 23.834 -12.353 9.132 1.00 49.53 O ATOM 146 CB LEU A 360 26.274 -10.411 9.997 1.00 43.77 C ATOM 147 CG LEU A 360 26.727 -9.038 10.571 1.00 46.30 C ATOM 148 CD1 LEU A 360 27.909 -8.470 9.778 1.00 45.98 C ATOM 149 CD2 LEU A 360 25.586 -8.026 10.625 1.00 43.97 C ATOM 150 H LEU A 360 26.523 -11.355 12.434 1.00 0.00 H ATOM 151 N LEU A 361 25.398 -13.576 10.268 1.00 48.17 N ATOM 152 CA LEU A 361 25.136 -14.878 9.641 1.00 49.06 C ATOM 153 C LEU A 361 23.959 -15.651 10.291 1.00 58.61 C ATOM 154 O LEU A 361 23.480 -16.629 9.694 1.00 59.34 O ATOM 155 CB LEU A 361 26.410 -15.755 9.627 1.00 48.47 C ATOM 156 CG LEU A 361 27.634 -15.214 8.860 1.00 52.08 C ATOM 157 CD1 LEU A 361 28.921 -15.845 9.359 1.00 51.58 C ATOM 158 CD2 LEU A 361 27.493 -15.406 7.369 1.00 53.94 C ATOM 159 H LEU A 361 26.139 -13.533 10.996 1.00 0.00 H ATOM 160 N SER A 362 23.493 -15.206 11.502 1.00 56.10 N ATOM 161 CA SER A 362 22.408 -15.825 12.282 1.00 55.39 C ATOM 162 C SER A 362 21.058 -15.830 11.575 1.00 59.18 C ATOM 163 O SER A 362 20.712 -14.866 10.891 1.00 59.09 O ATOM 164 CB SER A 362 22.290 -15.194 13.667 1.00 57.47 C ATOM 165 OG SER A 362 21.584 -13.964 13.624 1.00 60.86 O ATOM 166 HG SER A 362 22.062 -13.331 13.032 1.00 0.00 H ATOM 167 H SER A 362 23.944 -14.359 11.903 1.00 0.00 H ATOM 168 N LYS A 363 20.285 -16.911 11.790 1.00 56.17 N ATOM 169 CA LYS A 363 18.954 -17.190 11.219 1.00 56.17 C ATOM 170 C LYS A 363 17.939 -16.053 11.392 1.00 58.13 C ATOM 171 O LYS A 363 17.058 -15.889 10.545 1.00 59.57 O ATOM 172 CB LYS A 363 18.375 -18.518 11.765 1.00 60.28 C ATOM 173 CG LYS A 363 19.401 -19.651 12.011 1.00 77.81 C ATOM 174 CD LYS A 363 19.873 -19.693 13.484 1.00 87.63 C ATOM 175 CE LYS A 363 21.365 -19.479 13.622 1.00 92.99 C ATOM 176 NZ LYS A 363 21.764 -19.210 15.028 1.00 94.21 N ATOM 177 HZ1 LYS A 363 21.281 -18.353 15.366 1.00 0.00 H ATOM 178 HZ2 LYS A 363 21.496 -20.019 15.624 1.00 0.00 H ATOM 179 HZ3 LYS A 363 22.793 -19.070 15.074 1.00 0.00 H ATOM 180 H LYS A 363 20.671 -17.632 12.432 1.00 0.00 H ATOM 181 N LYS A 364 18.068 -15.266 12.477 1.00 51.56 N ATOM 182 CA LYS A 364 17.238 -14.095 12.795 1.00 49.84 C ATOM 183 C LYS A 364 17.238 -13.042 11.644 1.00 52.26 C ATOM 184 O LYS A 364 16.198 -12.434 11.363 1.00 52.03 O ATOM 185 CB LYS A 364 17.720 -13.515 14.151 1.00 52.44 C ATOM 186 CG LYS A 364 17.452 -12.033 14.416 1.00 67.74 C ATOM 187 CD LYS A 364 18.183 -11.536 15.668 1.00 72.33 C ATOM 188 CE LYS A 364 17.483 -10.370 16.344 1.00 85.96 C ATOM 189 NZ LYS A 364 17.406 -9.144 15.491 1.00 94.48 N ATOM 190 HZ1 LYS A 364 18.368 -8.832 15.248 1.00 0.00 H ATOM 191 HZ2 LYS A 364 16.880 -9.361 14.621 1.00 0.00 H ATOM 192 HZ3 LYS A 364 16.917 -8.390 16.014 1.00 0.00 H ATOM 193 H LYS A 364 18.823 -15.508 13.150 1.00 0.00 H ATOM 194 N HIS A 365 18.396 -12.865 10.951 1.00 47.11 N ATOM 195 CA HIS A 365 18.537 -11.876 9.872 1.00 44.76 C ATOM 196 C HIS A 365 18.521 -12.450 8.450 1.00 48.19 C ATOM 197 O HIS A 365 18.604 -11.677 7.494 1.00 46.49 O ATOM 198 CB HIS A 365 19.814 -11.035 10.088 1.00 44.10 C ATOM 199 CG HIS A 365 19.976 -10.517 11.485 1.00 45.54 C ATOM 200 ND1 HIS A 365 19.183 -9.498 11.976 1.00 46.47 N ATOM 201 CD2 HIS A 365 20.857 -10.879 12.437 1.00 45.73 C ATOM 202 CE1 HIS A 365 19.604 -9.277 13.203 1.00 45.36 C ATOM 203 NE2 HIS A 365 20.605 -10.094 13.527 1.00 45.60 N ATOM 204 H HIS A 365 19.217 -13.455 11.195 1.00 0.00 H ATOM 205 N ALA A 366 18.369 -13.790 8.314 1.00 46.63 N ATOM 206 CA ALA A 366 18.384 -14.570 7.063 1.00 45.89 C ATOM 207 C ALA A 366 17.541 -14.035 5.913 1.00 50.32 C ATOM 208 O ALA A 366 17.905 -14.290 4.763 1.00 51.75 O ATOM 209 CB ALA A 366 18.003 -16.009 7.340 1.00 46.43 C ATOM 210 H ALA A 366 18.226 -14.329 9.192 1.00 0.00 H ATOM 211 N ALA A 367 16.446 -13.297 6.188 1.00 46.40 N ATOM 212 CA ALA A 367 15.569 -12.750 5.140 1.00 46.37 C ATOM 213 C ALA A 367 16.202 -11.634 4.330 1.00 49.69 C ATOM 214 O ALA A 367 15.782 -11.392 3.201 1.00 51.05 O ATOM 215 CB ALA A 367 14.266 -12.253 5.746 1.00 47.56 C ATOM 216 H ALA A 367 16.211 -13.106 7.183 1.00 0.00 H ATOM 217 N TYR A 368 17.150 -10.905 4.925 1.00 44.71 N ATOM 218 CA TYR A 368 17.826 -9.790 4.271 1.00 43.67 C ATOM 219 C TYR A 368 19.351 -9.984 4.233 1.00 43.11 C ATOM 220 O TYR A 368 20.036 -9.288 3.492 1.00 41.63 O ATOM 221 CB TYR A 368 17.403 -8.429 4.880 1.00 45.62 C ATOM 222 CG TYR A 368 17.377 -8.384 6.394 1.00 48.43 C ATOM 223 CD1 TYR A 368 18.512 -8.027 7.122 1.00 49.95 C ATOM 224 CD2 TYR A 368 16.209 -8.667 7.101 1.00 49.25 C ATOM 225 CE1 TYR A 368 18.489 -7.976 8.516 1.00 50.65 C ATOM 226 CE2 TYR A 368 16.181 -8.644 8.495 1.00 49.59 C ATOM 227 CZ TYR A 368 17.317 -8.276 9.196 1.00 58.19 C ATOM 228 OH TYR A 368 17.278 -8.221 10.563 1.00 60.53 O ATOM 229 HH TYR A 368 18.164 -7.944 10.906 1.00 0.00 H ATOM 230 H TYR A 368 17.419 -11.144 5.901 1.00 0.00 H ATOM 231 N ALA A 369 19.861 -10.964 4.981 1.00 38.83 N ATOM 232 CA ALA A 369 21.277 -11.291 5.034 1.00 39.16 C ATOM 233 C ALA A 369 21.751 -12.272 3.942 1.00 45.02 C ATOM 234 O ALA A 369 22.920 -12.185 3.543 1.00 45.28 O ATOM 235 CB ALA A 369 21.627 -11.841 6.401 1.00 39.80 C ATOM 236 H ALA A 369 19.207 -11.528 5.561 1.00 0.00 H ATOM 237 N TRP A 370 20.849 -13.173 3.433 1.00 40.65 N ATOM 238 CA TRP A 370 21.187 -14.233 2.453 1.00 38.86 C ATOM 239 C TRP A 370 21.915 -13.711 1.177 1.00 40.02 C ATOM 240 O TRP A 370 22.840 -14.398 0.744 1.00 40.63 O ATOM 241 CB TRP A 370 19.990 -15.171 2.102 1.00 37.18 C ATOM 242 CG TRP A 370 18.931 -14.568 1.232 1.00 38.12 C ATOM 243 CD1 TRP A 370 17.777 -13.966 1.641 1.00 41.05 C ATOM 244 CD2 TRP A 370 18.964 -14.450 -0.198 1.00 38.05 C ATOM 245 NE1 TRP A 370 17.111 -13.434 0.558 1.00 40.65 N ATOM 246 CE2 TRP A 370 17.820 -13.715 -0.584 1.00 42.26 C ATOM 247 CE3 TRP A 370 19.883 -14.846 -1.191 1.00 39.19 C ATOM 248 CZ2 TRP A 370 17.550 -13.405 -1.922 1.00 41.82 C ATOM 249 CZ3 TRP A 370 19.642 -14.494 -2.505 1.00 40.52 C ATOM 250 CH2 TRP A 370 18.472 -13.814 -2.866 1.00 41.54 C ATOM 251 HE1 TRP A 370 16.216 -12.905 0.599 1.00 0.00 H ATOM 252 H TRP A 370 19.863 -13.108 3.756 1.00 0.00 H ATOM 253 N PRO A 371 21.616 -12.537 0.572 1.00 34.19 N ATOM 254 CA PRO A 371 22.383 -12.137 -0.628 1.00 32.96 C ATOM 255 C PRO A 371 23.862 -11.771 -0.388 1.00 37.95 C ATOM 256 O PRO A 371 24.583 -11.473 -1.349 1.00 37.47 O ATOM 257 CB PRO A 371 21.612 -10.922 -1.162 1.00 33.79 C ATOM 258 CG PRO A 371 20.384 -10.834 -0.390 1.00 37.67 C ATOM 259 CD PRO A 371 20.554 -11.556 0.876 1.00 34.40 C ATOM 260 N PHE A 372 24.306 -11.790 0.884 1.00 34.81 N ATOM 261 CA PHE A 372 25.650 -11.378 1.321 1.00 33.13 C ATOM 262 C PHE A 372 26.459 -12.516 1.866 1.00 36.57 C ATOM 263 O PHE A 372 27.649 -12.330 2.131 1.00 36.16 O ATOM 264 CB PHE A 372 25.557 -10.203 2.344 1.00 33.66 C ATOM 265 CG PHE A 372 24.658 -9.093 1.852 1.00 33.75 C ATOM 266 CD1 PHE A 372 25.097 -8.198 0.889 1.00 36.14 C ATOM 267 CD2 PHE A 372 23.340 -9.004 2.278 1.00 34.79 C ATOM 268 CE1 PHE A 372 24.246 -7.224 0.377 1.00 36.88 C ATOM 269 CE2 PHE A 372 22.488 -8.030 1.765 1.00 36.32 C ATOM 270 CZ PHE A 372 22.937 -7.169 0.790 1.00 35.02 C ATOM 271 H PHE A 372 23.646 -12.122 1.616 1.00 0.00 H ATOM 272 N TYR A 373 25.840 -13.700 2.000 1.00 34.78 N ATOM 273 CA TYR A 373 26.489 -14.911 2.519 1.00 36.52 C ATOM 274 C TYR A 373 27.652 -15.397 1.651 1.00 38.07 C ATOM 275 O TYR A 373 28.660 -15.861 2.176 1.00 38.48 O ATOM 276 CB TYR A 373 25.464 -16.063 2.689 1.00 39.66 C ATOM 277 CG TYR A 373 24.462 -15.924 3.818 1.00 44.26 C ATOM 278 CD1 TYR A 373 24.669 -15.019 4.864 1.00 46.20 C ATOM 279 CD2 TYR A 373 23.322 -16.731 3.870 1.00 46.00 C ATOM 280 CE1 TYR A 373 23.749 -14.896 5.909 1.00 47.67 C ATOM 281 CE2 TYR A 373 22.394 -16.613 4.913 1.00 47.05 C ATOM 282 CZ TYR A 373 22.615 -15.701 5.934 1.00 54.63 C ATOM 283 OH TYR A 373 21.701 -15.593 6.960 1.00 55.30 O ATOM 284 HH TYR A 373 22.006 -14.903 7.601 1.00 0.00 H ATOM 285 H TYR A 373 24.841 -13.763 1.719 1.00 0.00 H ATOM 286 N LYS A 374 27.491 -15.327 0.336 1.00 33.42 N ATOM 287 CA LYS A 374 28.472 -15.809 -0.633 1.00 33.28 C ATOM 288 C LYS A 374 28.732 -14.722 -1.657 1.00 37.03 C ATOM 289 O LYS A 374 27.893 -13.821 -1.785 1.00 36.13 O ATOM 290 CB LYS A 374 27.959 -17.102 -1.373 1.00 34.39 C ATOM 291 CG LYS A 374 27.715 -18.349 -0.530 1.00 42.06 C ATOM 292 CD LYS A 374 28.936 -18.887 0.213 1.00 56.53 C ATOM 293 CE LYS A 374 28.539 -19.982 1.186 1.00 67.95 C ATOM 294 NZ LYS A 374 29.397 -19.978 2.405 1.00 74.99 N ATOM 295 HZ1 LYS A 374 30.389 -20.129 2.130 1.00 0.00 H ATOM 296 HZ2 LYS A 374 29.306 -19.062 2.889 1.00 0.00 H ATOM 297 HZ3 LYS A 374 29.093 -20.741 3.044 1.00 0.00 H ATOM 298 H LYS A 374 26.613 -14.903 -0.027 1.00 0.00 H ATOM 299 N PRO A 375 29.842 -14.808 -2.443 1.00 33.44 N ATOM 300 CA PRO A 375 30.061 -13.806 -3.497 1.00 33.50 C ATOM 301 C PRO A 375 28.916 -13.768 -4.497 1.00 41.92 C ATOM 302 O PRO A 375 28.324 -14.816 -4.794 1.00 43.35 O ATOM 303 CB PRO A 375 31.335 -14.310 -4.214 1.00 34.50 C ATOM 304 CG PRO A 375 32.005 -15.204 -3.260 1.00 38.02 C ATOM 305 CD PRO A 375 30.926 -15.821 -2.431 1.00 34.26 C ATOM 306 N VAL A 376 28.646 -12.579 -5.057 1.00 38.98 N ATOM 307 CA VAL A 376 27.639 -12.397 -6.095 1.00 38.45 C ATOM 308 C VAL A 376 28.072 -13.234 -7.310 1.00 46.18 C ATOM 309 O VAL A 376 29.169 -13.034 -7.871 1.00 46.53 O ATOM 310 CB VAL A 376 27.429 -10.902 -6.472 1.00 40.52 C ATOM 311 CG1 VAL A 376 26.347 -10.744 -7.543 1.00 39.89 C ATOM 312 CG2 VAL A 376 27.102 -10.066 -5.245 1.00 39.67 C ATOM 313 H VAL A 376 29.181 -11.747 -4.735 1.00 0.00 H ATOM 314 N ASP A 377 27.197 -14.177 -7.702 1.00 42.66 N ATOM 315 CA ASP A 377 27.406 -15.064 -8.832 1.00 41.12 C ATOM 316 C ASP A 377 26.969 -14.330 -10.075 1.00 44.82 C ATOM 317 O ASP A 377 25.865 -14.548 -10.567 1.00 44.79 O ATOM 318 CB ASP A 377 26.615 -16.365 -8.624 1.00 43.19 C ATOM 319 CG ASP A 377 27.102 -17.562 -9.426 1.00 54.03 C ATOM 320 OD1 ASP A 377 27.789 -17.354 -10.466 1.00 52.61 O ATOM 321 OD2 ASP A 377 26.775 -18.703 -9.036 1.00 62.09 O ATOM 322 H ASP A 377 26.314 -14.277 -7.161 1.00 0.00 H ATOM 323 N ALA A 378 27.836 -13.421 -10.562 1.00 42.38 N ATOM 324 CA ALA A 378 27.615 -12.582 -11.735 1.00 42.62 C ATOM 325 C ALA A 378 27.397 -13.400 -13.027 1.00 50.45 C ATOM 326 O ALA A 378 26.642 -12.966 -13.895 1.00 51.67 O ATOM 327 CB ALA A 378 28.770 -11.604 -11.908 1.00 42.92 C ATOM 328 H ALA A 378 28.739 -13.308 -10.059 1.00 0.00 H ATOM 329 N SER A 379 28.060 -14.565 -13.155 1.00 47.43 N ATOM 330 CA SER A 379 27.919 -15.459 -14.313 1.00 46.87 C ATOM 331 C SER A 379 26.495 -16.042 -14.344 1.00 47.98 C ATOM 332 O SER A 379 25.780 -15.792 -15.307 1.00 46.68 O ATOM 333 CB SER A 379 28.963 -16.574 -14.269 1.00 50.25 C ATOM 334 OG SER A 379 28.740 -17.515 -15.305 1.00 61.83 O ATOM 335 HG SER A 379 29.427 -18.226 -15.257 1.00 0.00 H ATOM 336 H SER A 379 28.708 -14.848 -12.392 1.00 0.00 H ATOM 337 N ALA A 380 26.077 -16.748 -13.263 1.00 43.72 N ATOM 338 CA ALA A 380 24.747 -17.338 -13.095 1.00 43.59 C ATOM 339 C ALA A 380 23.602 -16.327 -13.223 1.00 50.72 C ATOM 340 O ALA A 380 22.543 -16.689 -13.742 1.00 53.16 O ATOM 341 CB ALA A 380 24.657 -18.059 -11.768 1.00 43.91 C ATOM 342 H ALA A 380 26.758 -16.881 -12.489 1.00 0.00 H ATOM 343 N LEU A 381 23.812 -15.063 -12.790 1.00 45.80 N ATOM 344 CA LEU A 381 22.789 -14.022 -12.880 1.00 44.77 C ATOM 345 C LEU A 381 22.844 -13.268 -14.203 1.00 48.33 C ATOM 346 O LEU A 381 21.947 -12.479 -14.489 1.00 48.43 O ATOM 347 CB LEU A 381 22.885 -13.026 -11.704 1.00 44.71 C ATOM 348 CG LEU A 381 22.658 -13.537 -10.279 1.00 48.75 C ATOM 349 CD1 LEU A 381 23.098 -12.496 -9.275 1.00 48.17 C ATOM 350 CD2 LEU A 381 21.201 -13.907 -10.039 1.00 51.03 C ATOM 351 H LEU A 381 24.736 -14.822 -12.377 1.00 0.00 H ATOM 352 N GLY A 382 23.900 -13.489 -14.981 1.00 44.76 N ATOM 353 CA GLY A 382 24.110 -12.808 -16.254 1.00 44.52 C ATOM 354 C GLY A 382 24.506 -11.348 -16.122 1.00 49.38 C ATOM 355 O GLY A 382 24.229 -10.550 -17.024 1.00 48.32 O ATOM 356 H GLY A 382 24.610 -14.181 -14.667 1.00 0.00 H ATOM 357 N LEU A 383 25.177 -10.980 -15.002 1.00 47.00 N ATOM 358 CA LEU A 383 25.618 -9.598 -14.760 1.00 47.04 C ATOM 359 C LEU A 383 27.012 -9.414 -15.346 1.00 52.75 C ATOM 360 O LEU A 383 28.006 -9.537 -14.631 1.00 53.28 O ATOM 361 CB LEU A 383 25.577 -9.220 -13.264 1.00 46.31 C ATOM 362 CG LEU A 383 24.330 -9.594 -12.458 1.00 49.96 C ATOM 363 CD1 LEU A 383 24.567 -9.373 -10.970 1.00 48.93 C ATOM 364 CD2 LEU A 383 23.076 -8.857 -12.957 1.00 49.95 C ATOM 365 H LEU A 383 25.388 -11.704 -14.286 1.00 0.00 H ATOM 366 N HIS A 384 27.074 -9.137 -16.655 1.00 50.57 N ATOM 367 CA HIS A 384 28.317 -9.025 -17.431 1.00 51.28 C ATOM 368 C HIS A 384 29.206 -7.869 -17.031 1.00 53.00 C ATOM 369 O HIS A 384 30.422 -7.969 -17.191 1.00 53.90 O ATOM 370 CB HIS A 384 28.032 -8.984 -18.943 1.00 53.05 C ATOM 371 CG HIS A 384 27.216 -10.143 -19.420 1.00 57.58 C ATOM 372 ND1 HIS A 384 27.761 -11.414 -19.533 1.00 59.79 N ATOM 373 CD2 HIS A 384 25.905 -10.195 -19.762 1.00 59.79 C ATOM 374 CE1 HIS A 384 26.771 -12.192 -19.945 1.00 59.42 C ATOM 375 NE2 HIS A 384 25.636 -11.502 -20.100 1.00 59.66 N ATOM 376 H HIS A 384 26.176 -8.990 -17.159 1.00 0.00 H ATOM 377 N ASP A 385 28.617 -6.787 -16.504 1.00 46.20 N ATOM 378 CA ASP A 385 29.350 -5.590 -16.100 1.00 44.05 C ATOM 379 C ASP A 385 29.679 -5.541 -14.597 1.00 46.71 C ATOM 380 O ASP A 385 30.242 -4.547 -14.139 1.00 47.49 O ATOM 381 CB ASP A 385 28.581 -4.328 -16.546 1.00 44.87 C ATOM 382 CG ASP A 385 27.202 -4.112 -15.922 1.00 51.60 C ATOM 383 OD1 ASP A 385 26.712 -5.026 -15.200 1.00 50.65 O ATOM 384 OD2 ASP A 385 26.612 -3.033 -16.152 1.00 58.27 O ATOM 385 H ASP A 385 27.585 -6.800 -16.376 1.00 0.00 H ATOM 386 N TYR A 386 29.334 -6.597 -13.832 1.00 41.64 N ATOM 387 CA TYR A 386 29.556 -6.614 -12.385 1.00 39.91 C ATOM 388 C TYR A 386 31.021 -6.427 -11.988 1.00 42.10 C ATOM 389 O TYR A 386 31.295 -5.569 -11.164 1.00 42.74 O ATOM 390 CB TYR A 386 28.951 -7.854 -11.701 1.00 40.37 C ATOM 391 CG TYR A 386 28.943 -7.731 -10.190 1.00 41.70 C ATOM 392 CD1 TYR A 386 27.974 -6.969 -9.536 1.00 43.40 C ATOM 393 CD2 TYR A 386 29.951 -8.305 -9.416 1.00 41.43 C ATOM 394 CE1 TYR A 386 28.002 -6.796 -8.153 1.00 43.45 C ATOM 395 CE2 TYR A 386 29.993 -8.129 -8.036 1.00 41.10 C ATOM 396 CZ TYR A 386 29.015 -7.373 -7.409 1.00 47.42 C ATOM 397 OH TYR A 386 29.024 -7.221 -6.043 1.00 48.25 O ATOM 398 HH TYR A 386 28.259 -6.655 -5.770 1.00 0.00 H ATOM 399 H TYR A 386 28.897 -7.425 -14.284 1.00 0.00 H ATOM 400 N HIS A 387 31.955 -7.178 -12.596 1.00 36.56 N ATOM 401 CA HIS A 387 33.382 -7.107 -12.273 1.00 34.13 C ATOM 402 C HIS A 387 34.088 -5.949 -12.967 1.00 41.12 C ATOM 403 O HIS A 387 35.273 -5.724 -12.719 1.00 42.30 O ATOM 404 CB HIS A 387 34.076 -8.458 -12.491 1.00 32.60 C ATOM 405 CG HIS A 387 33.528 -9.513 -11.578 1.00 34.44 C ATOM 406 ND1 HIS A 387 33.827 -9.528 -10.229 1.00 35.88 N ATOM 407 CD2 HIS A 387 32.636 -10.494 -11.830 1.00 35.32 C ATOM 408 CE1 HIS A 387 33.138 -10.534 -9.714 1.00 34.77 C ATOM 409 NE2 HIS A 387 32.421 -11.156 -10.645 1.00 34.89 N ATOM 410 H HIS A 387 31.649 -7.844 -13.334 1.00 0.00 H ATOM 411 N ASP A 388 33.342 -5.150 -13.741 1.00 38.90 N ATOM 412 CA ASP A 388 33.854 -3.935 -14.380 1.00 39.59 C ATOM 413 C ASP A 388 33.576 -2.762 -13.453 1.00 44.05 C ATOM 414 O ASP A 388 34.408 -1.877 -13.297 1.00 44.03 O ATOM 415 CB ASP A 388 33.167 -3.691 -15.734 1.00 42.10 C ATOM 416 CG ASP A 388 33.483 -4.763 -16.758 1.00 59.35 C ATOM 417 OD1 ASP A 388 34.480 -4.599 -17.506 1.00 60.55 O ATOM 418 OD2 ASP A 388 32.745 -5.775 -16.804 1.00 67.64 O ATOM 419 H ASP A 388 32.346 -5.406 -13.897 1.00 0.00 H ATOM 420 N ILE A 389 32.380 -2.758 -12.855 1.00 40.83 N ATOM 421 CA ILE A 389 31.918 -1.737 -11.928 1.00 39.46 C ATOM 422 C ILE A 389 32.514 -2.001 -10.548 1.00 41.29 C ATOM 423 O ILE A 389 33.093 -1.092 -9.951 1.00 42.03 O ATOM 424 CB ILE A 389 30.356 -1.646 -11.958 1.00 41.97 C ATOM 425 CG1 ILE A 389 29.876 -1.242 -13.379 1.00 41.85 C ATOM 426 CG2 ILE A 389 29.802 -0.677 -10.879 1.00 41.48 C ATOM 427 CD1 ILE A 389 28.450 -1.550 -13.698 1.00 47.62 C ATOM 428 H ILE A 389 31.732 -3.543 -13.069 1.00 0.00 H ATOM 429 N ILE A 390 32.388 -3.245 -10.058 1.00 34.35 N ATOM 430 CA ILE A 390 32.872 -3.655 -8.746 1.00 31.81 C ATOM 431 C ILE A 390 34.285 -4.261 -8.863 1.00 37.73 C ATOM 432 O ILE A 390 34.442 -5.439 -9.237 1.00 36.17 O ATOM 433 CB ILE A 390 31.829 -4.554 -8.011 1.00 32.90 C ATOM 434 CG1 ILE A 390 30.431 -3.875 -7.895 1.00 32.32 C ATOM 435 CG2 ILE A 390 32.326 -5.050 -6.643 1.00 31.31 C ATOM 436 CD1 ILE A 390 30.376 -2.408 -7.271 1.00 29.05 C ATOM 437 H ILE A 390 31.917 -3.958 -10.650 1.00 0.00 H ATOM 438 N LYS A 391 35.315 -3.425 -8.536 1.00 35.19 N ATOM 439 CA LYS A 391 36.732 -3.805 -8.585 1.00 34.34 C ATOM 440 C LYS A 391 37.132 -4.656 -7.420 1.00 37.36 C ATOM 441 O LYS A 391 38.028 -5.484 -7.559 1.00 38.30 O ATOM 442 CB LYS A 391 37.666 -2.584 -8.712 1.00 36.74 C ATOM 443 CG LYS A 391 37.374 -1.678 -9.913 1.00 58.86 C ATOM 444 CD LYS A 391 37.747 -2.311 -11.256 1.00 70.19 C ATOM 445 CE LYS A 391 37.549 -1.380 -12.424 1.00 76.60 C ATOM 446 NZ LYS A 391 37.273 -2.132 -13.681 1.00 77.98 N ATOM 447 HZ1 LYS A 391 38.075 -2.759 -13.892 1.00 0.00 H ATOM 448 HZ2 LYS A 391 36.410 -2.700 -13.562 1.00 0.00 H ATOM 449 HZ3 LYS A 391 37.142 -1.460 -14.464 1.00 0.00 H ATOM 450 H LYS A 391 35.080 -2.458 -8.233 1.00 0.00 H ATOM 451 N HIS A 392 36.484 -4.467 -6.263 1.00 33.03 N ATOM 452 CA HIS A 392 36.807 -5.248 -5.072 1.00 31.52 C ATOM 453 C HIS A 392 35.569 -5.878 -4.454 1.00 35.58 C ATOM 454 O HIS A 392 35.045 -5.356 -3.458 1.00 35.80 O ATOM 455 CB HIS A 392 37.630 -4.429 -4.051 1.00 31.88 C ATOM 456 CG HIS A 392 38.880 -3.858 -4.634 1.00 35.68 C ATOM 457 ND1 HIS A 392 39.972 -4.658 -4.925 1.00 37.83 N ATOM 458 CD2 HIS A 392 39.139 -2.600 -5.052 1.00 38.17 C ATOM 459 CE1 HIS A 392 40.860 -3.866 -5.497 1.00 37.47 C ATOM 460 NE2 HIS A 392 40.410 -2.617 -5.588 1.00 38.08 N ATOM 461 H HIS A 392 35.734 -3.748 -6.212 1.00 0.00 H ATOM 462 N PRO A 393 35.077 -7.017 -5.021 1.00 31.37 N ATOM 463 CA PRO A 393 33.908 -7.690 -4.420 1.00 29.83 C ATOM 464 C PRO A 393 34.193 -8.144 -2.987 1.00 32.43 C ATOM 465 O PRO A 393 35.347 -8.383 -2.626 1.00 32.23 O ATOM 466 CB PRO A 393 33.684 -8.900 -5.347 1.00 31.44 C ATOM 467 CG PRO A 393 34.337 -8.540 -6.625 1.00 35.53 C ATOM 468 CD PRO A 393 35.565 -7.774 -6.195 1.00 32.14 C ATOM 469 N MET A 394 33.146 -8.245 -2.166 1.00 27.34 N ATOM 470 CA MET A 394 33.284 -8.655 -0.768 1.00 25.07 C ATOM 471 C MET A 394 31.962 -9.243 -0.321 1.00 29.52 C ATOM 472 O MET A 394 30.922 -8.802 -0.771 1.00 31.35 O ATOM 473 CB MET A 394 33.699 -7.438 0.120 1.00 25.94 C ATOM 474 CG MET A 394 34.101 -7.788 1.559 1.00 27.50 C ATOM 475 SD MET A 394 35.235 -9.181 1.838 1.00 30.84 S ATOM 476 CE MET A 394 36.755 -8.613 0.943 1.00 27.76 C ATOM 477 H MET A 394 32.198 -8.024 -2.533 1.00 0.00 H ATOM 478 N ASP A 395 31.999 -10.216 0.575 1.00 26.12 N ATOM 479 CA ASP A 395 30.814 -10.905 1.079 1.00 26.34 C ATOM 480 C ASP A 395 31.209 -11.471 2.422 1.00 31.10 C ATOM 481 O ASP A 395 32.397 -11.487 2.731 1.00 31.71 O ATOM 482 CB ASP A 395 30.381 -12.036 0.096 1.00 27.53 C ATOM 483 CG ASP A 395 31.439 -13.106 -0.047 1.00 36.91 C ATOM 484 OD1 ASP A 395 32.415 -12.879 -0.780 1.00 39.26 O ATOM 485 OD2 ASP A 395 31.316 -14.140 0.611 1.00 45.12 O ATOM 486 H ASP A 395 32.927 -10.507 0.942 1.00 0.00 H ATOM 487 N LEU A 396 30.241 -11.991 3.179 1.00 28.53 N ATOM 488 CA LEU A 396 30.422 -12.513 4.530 1.00 27.86 C ATOM 489 C LEU A 396 31.282 -13.781 4.628 1.00 34.05 C ATOM 490 O LEU A 396 31.938 -13.976 5.670 1.00 34.92 O ATOM 491 CB LEU A 396 29.043 -12.707 5.223 1.00 26.95 C ATOM 492 CG LEU A 396 28.276 -11.403 5.563 1.00 29.72 C ATOM 493 CD1 LEU A 396 26.858 -11.693 6.084 1.00 29.31 C ATOM 494 CD2 LEU A 396 29.054 -10.530 6.535 1.00 27.15 C ATOM 495 H LEU A 396 29.283 -12.027 2.775 1.00 0.00 H ATOM 496 N SER A 397 31.280 -14.655 3.588 1.00 30.80 N ATOM 497 CA SER A 397 32.131 -15.866 3.636 1.00 29.86 C ATOM 498 C SER A 397 33.578 -15.497 3.514 1.00 29.99 C ATOM 499 O SER A 397 34.423 -16.122 4.185 1.00 30.69 O ATOM 500 CB SER A 397 31.738 -16.928 2.609 1.00 32.32 C ATOM 501 OG SER A 397 32.041 -16.617 1.262 1.00 35.26 O ATOM 502 HG SER A 397 31.567 -15.788 1.001 1.00 0.00 H ATOM 503 H SER A 397 30.681 -14.474 2.758 1.00 0.00 H ATOM 504 N THR A 398 33.861 -14.436 2.729 1.00 24.50 N ATOM 505 CA THR A 398 35.217 -13.905 2.553 1.00 26.12 C ATOM 506 C THR A 398 35.696 -13.281 3.877 1.00 33.11 C ATOM 507 O THR A 398 36.823 -13.567 4.328 1.00 34.74 O ATOM 508 CB THR A 398 35.292 -12.958 1.344 1.00 38.62 C ATOM 509 OG1 THR A 398 34.837 -13.666 0.191 1.00 37.73 O ATOM 510 CG2 THR A 398 36.707 -12.450 1.090 1.00 36.14 C ATOM 511 HG1 THR A 398 34.879 -13.070 -0.598 1.00 0.00 H ATOM 512 H THR A 398 33.079 -13.972 2.224 1.00 0.00 H ATOM 513 N VAL A 399 34.808 -12.486 4.525 1.00 28.10 N ATOM 514 CA VAL A 399 35.039 -11.880 5.848 1.00 27.69 C ATOM 515 C VAL A 399 35.349 -12.988 6.893 1.00 33.22 C ATOM 516 O VAL A 399 36.304 -12.860 7.654 1.00 32.82 O ATOM 517 CB VAL A 399 33.863 -10.945 6.273 1.00 31.30 C ATOM 518 CG1 VAL A 399 34.032 -10.454 7.709 1.00 32.15 C ATOM 519 CG2 VAL A 399 33.687 -9.763 5.310 1.00 29.82 C ATOM 520 H VAL A 399 33.901 -12.291 4.055 1.00 0.00 H ATOM 521 N LYS A 400 34.567 -14.087 6.892 1.00 32.26 N ATOM 522 CA LYS A 400 34.753 -15.250 7.771 1.00 32.69 C ATOM 523 C LYS A 400 36.089 -15.969 7.491 1.00 38.56 C ATOM 524 O LYS A 400 36.798 -16.275 8.443 1.00 39.31 O ATOM 525 CB LYS A 400 33.550 -16.193 7.640 1.00 35.16 C ATOM 526 CG LYS A 400 33.524 -17.391 8.566 1.00 53.57 C ATOM 527 CD LYS A 400 32.152 -18.074 8.437 1.00 71.21 C ATOM 528 CE LYS A 400 32.128 -19.503 8.922 1.00 85.96 C ATOM 529 NZ LYS A 400 30.831 -20.160 8.603 1.00 92.79 N ATOM 530 HZ1 LYS A 400 30.058 -19.640 9.065 1.00 0.00 H ATOM 531 HZ2 LYS A 400 30.686 -20.157 7.573 1.00 0.00 H ATOM 532 HZ3 LYS A 400 30.846 -21.141 8.949 1.00 0.00 H ATOM 533 H LYS A 400 33.774 -14.113 6.220 1.00 0.00 H ATOM 534 N ARG A 401 36.447 -16.220 6.202 1.00 35.78 N ATOM 535 CA ARG A 401 37.755 -16.829 5.813 1.00 34.62 C ATOM 536 C ARG A 401 38.914 -15.959 6.290 1.00 36.04 C ATOM 537 O ARG A 401 39.827 -16.470 6.911 1.00 36.22 O ATOM 538 CB ARG A 401 37.862 -17.019 4.279 1.00 33.11 C ATOM 539 CG ARG A 401 37.027 -18.168 3.746 1.00 35.09 C ATOM 540 CD ARG A 401 36.939 -18.149 2.232 1.00 42.68 C ATOM 541 NE ARG A 401 36.101 -19.241 1.742 1.00 36.53 N ATOM 542 CZ ARG A 401 36.210 -19.812 0.548 1.00 50.40 C ATOM 543 NH1 ARG A 401 37.148 -19.414 -0.307 1.00 33.97 N ATOM 544 NH2 ARG A 401 35.387 -20.789 0.200 1.00 44.23 N ATOM 545 HE ARG A 401 35.361 -19.599 2.379 1.00 0.00 H ATOM 546 HH12 ARG A 401 37.227 -19.866 -1.240 1.00 0.00 H ATOM 547 HH11 ARG A 401 37.803 -18.650 -0.042 1.00 0.00 H ATOM 548 HH22 ARG A 401 35.475 -21.234 -0.736 1.00 0.00 H ATOM 549 HH21 ARG A 401 34.653 -21.111 0.862 1.00 0.00 H ATOM 550 H ARG A 401 35.774 -15.975 5.448 1.00 0.00 H ATOM 551 N LYS A 402 38.849 -14.635 6.048 1.00 32.83 N ATOM 552 CA LYS A 402 39.888 -13.664 6.444 1.00 32.45 C ATOM 553 C LYS A 402 40.071 -13.575 7.954 1.00 37.66 C ATOM 554 O LYS A 402 41.199 -13.413 8.414 1.00 38.55 O ATOM 555 CB LYS A 402 39.625 -12.280 5.814 1.00 33.89 C ATOM 556 CG LYS A 402 39.876 -12.232 4.317 1.00 30.30 C ATOM 557 CD LYS A 402 39.664 -10.836 3.668 1.00 28.09 C ATOM 558 CE LYS A 402 40.659 -9.811 4.166 1.00 25.71 C ATOM 559 NZ LYS A 402 40.548 -8.546 3.410 1.00 27.74 N ATOM 560 HZ1 LYS A 402 40.734 -8.728 2.403 1.00 0.00 H ATOM 561 HZ2 LYS A 402 39.589 -8.160 3.522 1.00 0.00 H ATOM 562 HZ3 LYS A 402 41.243 -7.864 3.775 1.00 0.00 H ATOM 563 H LYS A 402 38.011 -14.273 5.549 1.00 0.00 H ATOM 564 N MET A 403 38.971 -13.711 8.726 1.00 34.90 N ATOM 565 CA MET A 403 38.989 -13.733 10.187 1.00 35.63 C ATOM 566 C MET A 403 39.662 -15.016 10.685 1.00 38.72 C ATOM 567 O MET A 403 40.548 -14.941 11.532 1.00 39.21 O ATOM 568 CB MET A 403 37.569 -13.608 10.759 1.00 39.41 C ATOM 569 CG MET A 403 37.553 -13.337 12.257 1.00 45.22 C ATOM 570 SD MET A 403 37.567 -11.582 12.705 1.00 51.05 S ATOM 571 CE MET A 403 35.894 -11.268 12.564 1.00 48.11 C ATOM 572 H MET A 403 38.051 -13.806 8.250 1.00 0.00 H ATOM 573 N GLU A 404 39.273 -16.188 10.142 1.00 35.22 N ATOM 574 CA GLU A 404 39.917 -17.465 10.468 1.00 34.84 C ATOM 575 C GLU A 404 41.402 -17.377 10.130 1.00 37.27 C ATOM 576 O GLU A 404 42.207 -17.910 10.882 1.00 36.14 O ATOM 577 CB GLU A 404 39.329 -18.630 9.655 1.00 36.68 C ATOM 578 CG GLU A 404 37.870 -18.973 9.894 1.00 47.80 C ATOM 579 CD GLU A 404 37.256 -19.827 8.794 1.00 81.86 C ATOM 580 OE1 GLU A 404 38.009 -20.526 8.073 1.00 80.84 O ATOM 581 OE2 GLU A 404 36.011 -19.795 8.654 1.00 82.97 O ATOM 582 H GLU A 404 38.484 -16.186 9.464 1.00 0.00 H ATOM 583 N ASN A 405 41.774 -16.702 9.003 1.00 34.74 N ATOM 584 CA ASN A 405 43.179 -16.569 8.573 1.00 34.54 C ATOM 585 C ASN A 405 43.984 -15.593 9.374 1.00 39.87 C ATOM 586 O ASN A 405 45.211 -15.551 9.220 1.00 39.00 O ATOM 587 CB ASN A 405 43.298 -16.215 7.101 1.00 32.91 C ATOM 588 CG ASN A 405 42.721 -17.241 6.188 1.00 48.54 C ATOM 589 OD1 ASN A 405 42.367 -18.350 6.602 1.00 48.91 O ATOM 590 ND2 ASN A 405 42.577 -16.871 4.933 1.00 36.27 N ATOM 591 HD22 ASN A 405 42.890 -15.927 4.630 1.00 0.00 H ATOM 592 HD21 ASN A 405 42.150 -17.523 4.244 1.00 0.00 H ATOM 593 H ASN A 405 41.033 -16.261 8.421 1.00 0.00 H ATOM 594 N ARG A 406 43.303 -14.786 10.213 1.00 38.17 N ATOM 595 CA ARG A 406 43.908 -13.757 11.071 1.00 37.45 C ATOM 596 C ARG A 406 44.437 -12.640 10.193 1.00 39.73 C ATOM 597 O ARG A 406 45.527 -12.134 10.431 1.00 39.17 O ATOM 598 CB ARG A 406 45.001 -14.343 12.002 1.00 36.21 C ATOM 599 CG ARG A 406 44.487 -15.459 12.889 1.00 39.44 C ATOM 600 CD ARG A 406 45.578 -16.170 13.637 1.00 43.10 C ATOM 601 NE ARG A 406 45.020 -17.349 14.296 1.00 52.94 N ATOM 602 CZ ARG A 406 45.670 -18.110 15.170 1.00 59.76 C ATOM 603 NH1 ARG A 406 46.923 -17.830 15.500 1.00 42.98 N ATOM 604 NH2 ARG A 406 45.069 -19.156 15.722 1.00 43.27 N ATOM 605 HE ARG A 406 44.041 -17.612 14.064 1.00 0.00 H ATOM 606 HH12 ARG A 406 47.427 -18.429 16.185 1.00 0.00 H ATOM 607 HH11 ARG A 406 47.402 -17.011 15.074 1.00 0.00 H ATOM 608 HH22 ARG A 406 45.581 -19.749 16.406 1.00 0.00 H ATOM 609 HH21 ARG A 406 44.086 -19.383 15.471 1.00 0.00 H ATOM 610 H ARG A 406 42.270 -14.901 10.256 1.00 0.00 H ATOM 611 N ASP A 407 43.666 -12.287 9.144 1.00 36.44 N ATOM 612 CA ASP A 407 44.012 -11.229 8.196 1.00 36.22 C ATOM 613 C ASP A 407 43.713 -9.808 8.726 1.00 39.36 C ATOM 614 O ASP A 407 44.323 -8.850 8.277 1.00 40.75 O ATOM 615 CB ASP A 407 43.344 -11.468 6.830 1.00 37.72 C ATOM 616 CG ASP A 407 43.856 -12.669 6.039 1.00 41.28 C ATOM 617 OD1 ASP A 407 44.888 -13.241 6.428 1.00 41.16 O ATOM 618 OD2 ASP A 407 43.216 -13.030 5.023 1.00 46.58 O ATOM 619 H ASP A 407 42.772 -12.798 9.001 1.00 0.00 H ATOM 620 N TYR A 408 42.793 -9.673 9.669 1.00 35.24 N ATOM 621 CA TYR A 408 42.462 -8.378 10.274 1.00 34.07 C ATOM 622 C TYR A 408 43.349 -8.095 11.503 1.00 41.03 C ATOM 623 O TYR A 408 43.366 -8.891 12.441 1.00 39.11 O ATOM 624 CB TYR A 408 40.980 -8.336 10.654 1.00 32.06 C ATOM 625 CG TYR A 408 40.063 -8.610 9.486 1.00 29.06 C ATOM 626 CD1 TYR A 408 40.062 -7.782 8.363 1.00 28.87 C ATOM 627 CD2 TYR A 408 39.186 -9.692 9.503 1.00 28.64 C ATOM 628 CE1 TYR A 408 39.209 -8.023 7.291 1.00 27.97 C ATOM 629 CE2 TYR A 408 38.347 -9.962 8.421 1.00 27.93 C ATOM 630 CZ TYR A 408 38.339 -9.109 7.332 1.00 31.49 C ATOM 631 OH TYR A 408 37.508 -9.390 6.275 1.00 28.51 O ATOM 632 HH TYR A 408 37.615 -8.694 5.579 1.00 0.00 H ATOM 633 H TYR A 408 42.284 -10.520 9.994 1.00 0.00 H ATOM 634 N ARG A 409 44.101 -6.980 11.472 1.00 41.75 N ATOM 635 CA ARG A 409 44.982 -6.539 12.567 1.00 43.57 C ATOM 636 C ARG A 409 44.141 -6.027 13.735 1.00 49.51 C ATOM 637 O ARG A 409 44.488 -6.249 14.895 1.00 50.07 O ATOM 638 CB ARG A 409 45.943 -5.431 12.088 1.00 46.46 C ATOM 639 CG ARG A 409 46.922 -5.893 11.001 1.00 65.70 C ATOM 640 CD ARG A 409 47.778 -4.756 10.466 1.00 84.51 C ATOM 641 NE ARG A 409 48.461 -5.121 9.221 1.00 96.44 N ATOM 642 CZ ARG A 409 48.357 -4.449 8.077 1.00109.87 C ATOM 643 NH1 ARG A 409 47.603 -3.359 8.005 1.00 89.28 N ATOM 644 NH2 ARG A 409 49.011 -4.859 6.998 1.00102.86 N ATOM 645 HE ARG A 409 49.070 -5.964 9.233 1.00 0.00 H ATOM 646 HH12 ARG A 409 47.526 -2.838 7.108 1.00 0.00 H ATOM 647 HH11 ARG A 409 47.089 -3.026 8.846 1.00 0.00 H ATOM 648 HH22 ARG A 409 48.926 -4.330 6.106 1.00 0.00 H ATOM 649 HH21 ARG A 409 49.608 -5.709 7.044 1.00 0.00 H ATOM 650 H ARG A 409 44.057 -6.389 10.617 1.00 0.00 H ATOM 651 N ASP A 410 43.016 -5.366 13.417 1.00 46.47 N ATOM 652 CA ASP A 410 42.089 -4.782 14.392 1.00 45.90 C ATOM 653 C ASP A 410 40.639 -4.782 13.869 1.00 46.80 C ATOM 654 O ASP A 410 40.386 -5.253 12.760 1.00 45.79 O ATOM 655 CB ASP A 410 42.549 -3.357 14.776 1.00 47.18 C ATOM 656 CG ASP A 410 42.891 -2.455 13.613 1.00 55.48 C ATOM 657 OD1 ASP A 410 42.129 -2.445 12.623 1.00 57.47 O ATOM 658 OD2 ASP A 410 43.909 -1.748 13.697 1.00 59.39 O ATOM 659 H ASP A 410 42.786 -5.261 12.408 1.00 0.00 H ATOM 660 N ALA A 411 39.702 -4.274 14.696 1.00 41.23 N ATOM 661 CA ALA A 411 38.267 -4.141 14.442 1.00 39.80 C ATOM 662 C ALA A 411 37.959 -3.195 13.245 1.00 40.88 C ATOM 663 O ALA A 411 37.006 -3.434 12.510 1.00 40.57 O ATOM 664 CB ALA A 411 37.571 -3.642 15.709 1.00 40.19 C ATOM 665 H ALA A 411 40.038 -3.938 15.621 1.00 0.00 H ATOM 666 N GLN A 412 38.782 -2.153 13.060 1.00 35.50 N ATOM 667 CA GLN A 412 38.723 -1.141 11.996 1.00 34.89 C ATOM 668 C GLN A 412 38.915 -1.766 10.611 1.00 38.36 C ATOM 669 O GLN A 412 38.223 -1.381 9.665 1.00 38.29 O ATOM 670 CB GLN A 412 39.777 -0.033 12.235 1.00 35.93 C ATOM 671 CG GLN A 412 39.486 0.901 13.436 1.00 56.36 C ATOM 672 CD GLN A 412 39.496 0.246 14.822 1.00 75.40 C ATOM 673 OE1 GLN A 412 38.486 0.237 15.543 1.00 76.79 O ATOM 674 NE2 GLN A 412 40.621 -0.319 15.233 1.00 54.56 N ATOM 675 HE22 GLN A 412 41.463 -0.307 14.622 1.00 0.00 H ATOM 676 HE21 GLN A 412 40.663 -0.775 16.167 1.00 0.00 H ATOM 677 H GLN A 412 39.553 -2.049 13.751 1.00 0.00 H ATOM 678 N GLU A 413 39.834 -2.745 10.502 1.00 33.64 N ATOM 679 CA GLU A 413 40.112 -3.478 9.264 1.00 33.31 C ATOM 680 C GLU A 413 38.947 -4.411 8.871 1.00 36.80 C ATOM 681 O GLU A 413 38.600 -4.508 7.687 1.00 37.64 O ATOM 682 CB GLU A 413 41.417 -4.259 9.379 1.00 34.30 C ATOM 683 CG GLU A 413 42.634 -3.364 9.403 1.00 39.45 C ATOM 684 CD GLU A 413 43.962 -4.054 9.177 1.00 59.70 C ATOM 685 OE1 GLU A 413 44.020 -5.306 9.219 1.00 48.06 O ATOM 686 OE2 GLU A 413 44.956 -3.324 8.958 1.00 56.40 O ATOM 687 H GLU A 413 40.381 -2.996 11.350 1.00 0.00 H ATOM 688 N PHE A 414 38.344 -5.062 9.870 1.00 30.88 N ATOM 689 CA PHE A 414 37.165 -5.909 9.730 1.00 30.73 C ATOM 690 C PHE A 414 35.979 -5.069 9.242 1.00 34.34 C ATOM 691 O PHE A 414 35.303 -5.478 8.296 1.00 34.90 O ATOM 692 CB PHE A 414 36.860 -6.613 11.079 1.00 32.39 C ATOM 693 CG PHE A 414 35.478 -7.205 11.236 1.00 34.60 C ATOM 694 CD1 PHE A 414 35.193 -8.484 10.771 1.00 36.65 C ATOM 695 CD2 PHE A 414 34.460 -6.489 11.871 1.00 37.62 C ATOM 696 CE1 PHE A 414 33.922 -9.042 10.949 1.00 37.56 C ATOM 697 CE2 PHE A 414 33.173 -7.035 12.012 1.00 40.12 C ATOM 698 CZ PHE A 414 32.921 -8.311 11.562 1.00 38.01 C ATOM 699 H PHE A 414 38.747 -4.956 10.823 1.00 0.00 H ATOM 700 N ALA A 415 35.737 -3.890 9.878 1.00 30.31 N ATOM 701 CA ALA A 415 34.641 -2.953 9.552 1.00 29.29 C ATOM 702 C ALA A 415 34.758 -2.393 8.157 1.00 30.96 C ATOM 703 O ALA A 415 33.741 -2.161 7.509 1.00 31.72 O ATOM 704 CB ALA A 415 34.587 -1.812 10.570 1.00 30.08 C ATOM 705 H ALA A 415 36.375 -3.627 10.656 1.00 0.00 H ATOM 706 N ALA A 416 36.000 -2.189 7.678 1.00 27.18 N ATOM 707 CA ALA A 416 36.297 -1.675 6.334 1.00 25.86 C ATOM 708 C ALA A 416 35.821 -2.683 5.269 1.00 29.26 C ATOM 709 O ALA A 416 35.262 -2.285 4.257 1.00 28.75 O ATOM 710 CB ALA A 416 37.798 -1.369 6.196 1.00 25.74 C ATOM 711 H ALA A 416 36.803 -2.410 8.301 1.00 0.00 H ATOM 712 N ASP A 417 35.984 -3.979 5.533 1.00 27.51 N ATOM 713 CA ASP A 417 35.539 -5.042 4.627 1.00 28.15 C ATOM 714 C ASP A 417 34.026 -5.217 4.621 1.00 32.22 C ATOM 715 O ASP A 417 33.440 -5.417 3.570 1.00 32.51 O ATOM 716 CB ASP A 417 36.227 -6.367 4.955 1.00 28.80 C ATOM 717 CG ASP A 417 37.432 -6.646 4.102 1.00 32.91 C ATOM 718 OD1 ASP A 417 37.764 -5.804 3.250 1.00 33.01 O ATOM 719 OD2 ASP A 417 38.059 -7.697 4.300 1.00 39.12 O ATOM 720 H ASP A 417 36.449 -4.249 6.423 1.00 0.00 H ATOM 721 N VAL A 418 33.400 -5.122 5.777 1.00 30.56 N ATOM 722 CA VAL A 418 31.941 -5.242 5.933 1.00 30.80 C ATOM 723 C VAL A 418 31.271 -4.084 5.208 1.00 35.73 C ATOM 724 O VAL A 418 30.299 -4.302 4.472 1.00 38.28 O ATOM 725 CB VAL A 418 31.539 -5.338 7.430 1.00 33.90 C ATOM 726 CG1 VAL A 418 30.021 -5.352 7.609 1.00 33.84 C ATOM 727 CG2 VAL A 418 32.170 -6.568 8.074 1.00 32.86 C ATOM 728 H VAL A 418 33.971 -4.952 6.630 1.00 0.00 H ATOM 729 N ARG A 419 31.854 -2.881 5.329 1.00 29.42 N ATOM 730 CA ARG A 419 31.349 -1.679 4.677 1.00 28.23 C ATOM 731 C ARG A 419 31.601 -1.689 3.190 1.00 32.53 C ATOM 732 O ARG A 419 30.788 -1.152 2.439 1.00 34.13 O ATOM 733 CB ARG A 419 31.893 -0.407 5.356 1.00 28.33 C ATOM 734 CG ARG A 419 31.251 -0.147 6.701 1.00 32.41 C ATOM 735 CD ARG A 419 31.864 1.060 7.348 1.00 39.34 C ATOM 736 NE ARG A 419 31.284 1.326 8.664 1.00 38.14 N ATOM 737 CZ ARG A 419 31.981 1.768 9.704 1.00 46.35 C ATOM 738 NH1 ARG A 419 33.283 1.997 9.590 1.00 31.08 N ATOM 739 NH2 ARG A 419 31.388 1.964 10.872 1.00 31.79 N ATOM 740 HE ARG A 419 30.266 1.159 8.793 1.00 0.00 H ATOM 741 HH12 ARG A 419 33.824 2.343 10.408 1.00 0.00 H ATOM 742 HH11 ARG A 419 33.763 1.830 8.682 1.00 0.00 H ATOM 743 HH22 ARG A 419 31.939 2.310 11.683 1.00 0.00 H ATOM 744 HH21 ARG A 419 30.371 1.772 10.978 1.00 0.00 H ATOM 745 H ARG A 419 32.708 -2.803 5.917 1.00 0.00 H ATOM 746 N LEU A 420 32.708 -2.307 2.747 1.00 28.72 N ATOM 747 CA LEU A 420 33.032 -2.505 1.322 1.00 28.03 C ATOM 748 C LEU A 420 31.892 -3.321 0.686 1.00 31.19 C ATOM 749 O LEU A 420 31.335 -2.913 -0.324 1.00 32.54 O ATOM 750 CB LEU A 420 34.398 -3.248 1.156 1.00 27.23 C ATOM 751 CG LEU A 420 34.839 -3.561 -0.276 1.00 30.04 C ATOM 752 CD1 LEU A 420 34.993 -2.291 -1.088 1.00 29.72 C ATOM 753 CD2 LEU A 420 36.134 -4.394 -0.300 1.00 27.11 C ATOM 754 H LEU A 420 33.379 -2.669 3.454 1.00 0.00 H ATOM 755 N MET A 421 31.505 -4.420 1.328 1.00 26.92 N ATOM 756 CA MET A 421 30.403 -5.271 0.899 1.00 27.39 C ATOM 757 C MET A 421 29.107 -4.443 0.673 1.00 35.46 C ATOM 758 O MET A 421 28.475 -4.592 -0.377 1.00 37.12 O ATOM 759 CB MET A 421 30.204 -6.384 1.937 1.00 29.42 C ATOM 760 CG MET A 421 29.002 -7.253 1.704 1.00 33.09 C ATOM 761 SD MET A 421 28.897 -8.463 3.030 1.00 38.37 S ATOM 762 CE MET A 421 27.820 -7.569 4.215 1.00 34.82 C ATOM 763 H MET A 421 32.021 -4.688 2.190 1.00 0.00 H ATOM 764 N PHE A 422 28.729 -3.567 1.638 1.00 31.19 N ATOM 765 CA PHE A 422 27.532 -2.734 1.528 1.00 28.95 C ATOM 766 C PHE A 422 27.689 -1.681 0.484 1.00 31.61 C ATOM 767 O PHE A 422 26.756 -1.481 -0.280 1.00 32.32 O ATOM 768 CB PHE A 422 27.131 -2.118 2.877 1.00 29.83 C ATOM 769 CG PHE A 422 26.752 -3.123 3.938 1.00 30.44 C ATOM 770 CD1 PHE A 422 25.726 -4.032 3.722 1.00 33.22 C ATOM 771 CD2 PHE A 422 27.359 -3.103 5.184 1.00 32.13 C ATOM 772 CE1 PHE A 422 25.356 -4.938 4.716 1.00 33.67 C ATOM 773 CE2 PHE A 422 26.989 -4.010 6.175 1.00 34.35 C ATOM 774 CZ PHE A 422 25.994 -4.921 5.936 1.00 32.30 C ATOM 775 H PHE A 422 29.316 -3.484 2.493 1.00 0.00 H ATOM 776 N SER A 423 28.861 -1.020 0.414 1.00 28.87 N ATOM 777 CA SER A 423 29.153 0.008 -0.603 1.00 29.28 C ATOM 778 C SER A 423 29.095 -0.539 -2.014 1.00 37.25 C ATOM 779 O SER A 423 28.609 0.163 -2.894 1.00 38.74 O ATOM 780 CB SER A 423 30.506 0.666 -0.370 1.00 30.62 C ATOM 781 OG SER A 423 30.477 1.396 0.842 1.00 39.06 O ATOM 782 HG SER A 423 31.358 1.822 0.990 1.00 0.00 H ATOM 783 H SER A 423 29.597 -1.246 1.113 1.00 0.00 H ATOM 784 N ASN A 424 29.612 -1.774 -2.250 1.00 33.98 N ATOM 785 CA ASN A 424 29.564 -2.413 -3.572 1.00 33.57 C ATOM 786 C ASN A 424 28.091 -2.550 -4.022 1.00 36.55 C ATOM 787 O ASN A 424 27.764 -2.247 -5.154 1.00 35.89 O ATOM 788 CB ASN A 424 30.238 -3.799 -3.525 1.00 33.52 C ATOM 789 CG ASN A 424 31.742 -3.775 -3.451 1.00 35.94 C ATOM 790 OD1 ASN A 424 32.405 -2.816 -3.831 1.00 30.12 O ATOM 791 ND2 ASN A 424 32.317 -4.850 -2.976 1.00 24.33 N ATOM 792 HD22 ASN A 424 31.737 -5.653 -2.659 1.00 0.00 H ATOM 793 HD21 ASN A 424 33.354 -4.902 -2.916 1.00 0.00 H ATOM 794 H ASN A 424 30.059 -2.287 -1.463 1.00 0.00 H ATOM 795 N CYS A 425 27.217 -2.950 -3.102 1.00 34.37 N ATOM 796 CA CYS A 425 25.791 -3.115 -3.324 1.00 34.98 C ATOM 797 C CYS A 425 25.129 -1.784 -3.692 1.00 40.11 C ATOM 798 O CYS A 425 24.347 -1.748 -4.640 1.00 40.71 O ATOM 799 CB CYS A 425 25.140 -3.763 -2.106 1.00 35.28 C ATOM 800 SG CYS A 425 23.385 -4.139 -2.329 1.00 39.57 S ATOM 801 H CYS A 425 27.583 -3.161 -2.151 1.00 0.00 H ATOM 802 N TYR A 426 25.492 -0.683 -2.990 1.00 35.84 N ATOM 803 CA TYR A 426 24.936 0.638 -3.266 1.00 35.09 C ATOM 804 C TYR A 426 25.481 1.210 -4.550 1.00 39.47 C ATOM 805 O TYR A 426 24.772 1.952 -5.214 1.00 41.36 O ATOM 806 CB TYR A 426 25.153 1.627 -2.087 1.00 35.02 C ATOM 807 CG TYR A 426 24.736 1.101 -0.730 1.00 32.95 C ATOM 808 CD1 TYR A 426 23.533 0.416 -0.564 1.00 33.68 C ATOM 809 CD2 TYR A 426 25.516 1.335 0.403 1.00 32.59 C ATOM 810 CE1 TYR A 426 23.151 -0.088 0.681 1.00 29.65 C ATOM 811 CE2 TYR A 426 25.131 0.853 1.659 1.00 32.81 C ATOM 812 CZ TYR A 426 23.945 0.146 1.789 1.00 36.14 C ATOM 813 OH TYR A 426 23.550 -0.351 3.006 1.00 36.22 O ATOM 814 HH TYR A 426 23.446 0.395 3.648 1.00 0.00 H ATOM 815 H TYR A 426 26.192 -0.783 -2.227 1.00 0.00 H ATOM 816 N LYS A 427 26.733 0.893 -4.894 1.00 35.07 N ATOM 817 CA LYS A 427 27.393 1.366 -6.115 1.00 34.53 C ATOM 818 C LYS A 427 26.822 0.700 -7.372 1.00 41.76 C ATOM 819 O LYS A 427 26.603 1.372 -8.382 1.00 42.01 O ATOM 820 CB LYS A 427 28.912 1.113 -6.044 1.00 35.12 C ATOM 821 CG LYS A 427 29.681 1.568 -7.295 1.00 36.52 C ATOM 822 CD LYS A 427 31.176 1.321 -7.187 1.00 41.48 C ATOM 823 CE LYS A 427 31.946 1.984 -8.306 1.00 52.58 C ATOM 824 NZ LYS A 427 31.928 3.477 -8.193 1.00 76.84 N ATOM 825 HZ1 LYS A 427 30.945 3.814 -8.231 1.00 0.00 H ATOM 826 HZ2 LYS A 427 32.359 3.760 -7.290 1.00 0.00 H ATOM 827 HZ3 LYS A 427 32.468 3.890 -8.980 1.00 0.00 H ATOM 828 H LYS A 427 27.272 0.273 -4.257 1.00 0.00 H ATOM 829 N TYR A 428 26.658 -0.627 -7.334 1.00 40.46 N ATOM 830 CA TYR A 428 26.222 -1.400 -8.493 1.00 40.87 C ATOM 831 C TYR A 428 24.743 -1.279 -8.814 1.00 47.92 C ATOM 832 O TYR A 428 24.379 -1.093 -9.971 1.00 49.01 O ATOM 833 CB TYR A 428 26.622 -2.897 -8.359 1.00 40.41 C ATOM 834 CG TYR A 428 26.269 -3.701 -9.595 1.00 40.11 C ATOM 835 CD1 TYR A 428 26.999 -3.560 -10.776 1.00 40.59 C ATOM 836 CD2 TYR A 428 25.178 -4.568 -9.600 1.00 40.59 C ATOM 837 CE1 TYR A 428 26.647 -4.257 -11.928 1.00 40.47 C ATOM 838 CE2 TYR A 428 24.823 -5.280 -10.748 1.00 40.81 C ATOM 839 CZ TYR A 428 25.552 -5.109 -11.911 1.00 44.70 C ATOM 840 OH TYR A 428 25.224 -5.826 -13.028 1.00 44.71 O ATOM 841 HH TYR A 428 25.840 -5.586 -13.765 1.00 0.00 H ATOM 842 H TYR A 428 26.849 -1.128 -6.443 1.00 0.00 H ATOM 843 N ASN A 429 23.905 -1.458 -7.809 1.00 45.97 N ATOM 844 CA ASN A 429 22.469 -1.517 -7.974 1.00 46.36 C ATOM 845 C ASN A 429 21.748 -0.170 -8.022 1.00 53.97 C ATOM 846 O ASN A 429 22.199 0.802 -7.402 1.00 52.81 O ATOM 847 CB ASN A 429 21.891 -2.393 -6.873 1.00 43.14 C ATOM 848 CG ASN A 429 22.456 -3.784 -6.867 1.00 57.12 C ATOM 849 OD1 ASN A 429 22.176 -4.586 -7.750 1.00 51.51 O ATOM 850 ND2 ASN A 429 23.281 -4.096 -5.882 1.00 49.52 N ATOM 851 HD22 ASN A 429 23.501 -3.395 -5.146 1.00 0.00 H ATOM 852 HD21 ASN A 429 23.710 -5.042 -5.843 1.00 0.00 H ATOM 853 H ASN A 429 24.297 -1.562 -6.851 1.00 0.00 H ATOM 854 N PRO A 430 20.600 -0.098 -8.747 1.00 54.24 N ATOM 855 CA PRO A 430 19.799 1.137 -8.703 1.00 55.02 C ATOM 856 C PRO A 430 19.121 1.212 -7.320 1.00 59.76 C ATOM 857 O PRO A 430 18.859 0.150 -6.731 1.00 58.65 O ATOM 858 CB PRO A 430 18.798 0.966 -9.850 1.00 57.15 C ATOM 859 CG PRO A 430 18.686 -0.501 -10.064 1.00 61.62 C ATOM 860 CD PRO A 430 19.923 -1.164 -9.523 1.00 56.64 C ATOM 861 N PRO A 431 18.887 2.426 -6.748 1.00 57.87 N ATOM 862 CA PRO A 431 18.351 2.506 -5.366 1.00 58.20 C ATOM 863 C PRO A 431 17.008 1.799 -5.094 1.00 63.42 C ATOM 864 O PRO A 431 16.719 1.476 -3.934 1.00 63.05 O ATOM 865 CB PRO A 431 18.270 4.011 -5.094 1.00 60.07 C ATOM 866 CG PRO A 431 18.349 4.668 -6.452 1.00 64.41 C ATOM 867 CD PRO A 431 19.191 3.768 -7.288 1.00 59.59 C ATOM 868 N ASP A 432 16.235 1.499 -6.155 1.00 61.06 N ATOM 869 CA ASP A 432 14.919 0.856 -6.078 1.00 61.22 C ATOM 870 C ASP A 432 14.937 -0.675 -5.909 1.00 62.52 C ATOM 871 O ASP A 432 13.915 -1.235 -5.500 1.00 62.43 O ATOM 872 CB ASP A 432 14.053 1.250 -7.292 1.00 63.97 C ATOM 873 CG ASP A 432 14.778 1.215 -8.624 1.00 79.10 C ATOM 874 OD1 ASP A 432 14.860 0.119 -9.229 1.00 80.09 O ATOM 875 OD2 ASP A 432 15.260 2.283 -9.064 1.00 87.01 O ATOM 876 H ASP A 432 16.598 1.741 -7.099 1.00 0.00 H ATOM 877 N HIS A 433 16.075 -1.347 -6.212 1.00 56.61 N ATOM 878 CA HIS A 433 16.206 -2.813 -6.126 1.00 54.49 C ATOM 879 C HIS A 433 16.054 -3.334 -4.699 1.00 58.33 C ATOM 880 O HIS A 433 16.491 -2.671 -3.760 1.00 59.55 O ATOM 881 CB HIS A 433 17.543 -3.292 -6.741 1.00 53.78 C ATOM 882 CG HIS A 433 17.566 -4.751 -7.109 1.00 55.97 C ATOM 883 ND1 HIS A 433 17.548 -5.750 -6.141 1.00 57.01 N ATOM 884 CD2 HIS A 433 17.618 -5.334 -8.329 1.00 56.81 C ATOM 885 CE1 HIS A 433 17.588 -6.897 -6.801 1.00 55.93 C ATOM 886 NE2 HIS A 433 17.635 -6.700 -8.119 1.00 56.35 N ATOM 887 H HIS A 433 16.902 -0.798 -6.522 1.00 0.00 H ATOM 888 N ASP A 434 15.452 -4.527 -4.549 1.00 53.31 N ATOM 889 CA ASP A 434 15.253 -5.235 -3.283 1.00 53.00 C ATOM 890 C ASP A 434 16.543 -5.417 -2.480 1.00 55.77 C ATOM 891 O ASP A 434 16.526 -5.225 -1.262 1.00 56.36 O ATOM 892 CB ASP A 434 14.677 -6.641 -3.550 1.00 55.88 C ATOM 893 CG ASP A 434 13.174 -6.749 -3.728 1.00 74.51 C ATOM 894 OD1 ASP A 434 12.524 -5.702 -3.983 1.00 75.53 O ATOM 895 OD2 ASP A 434 12.647 -7.885 -3.632 1.00 83.30 O ATOM 896 H ASP A 434 15.096 -4.989 -5.410 1.00 0.00 H ATOM 897 N VAL A 435 17.647 -5.847 -3.156 1.00 49.25 N ATOM 898 CA VAL A 435 18.941 -6.138 -2.542 1.00 46.70 C ATOM 899 C VAL A 435 19.495 -4.885 -1.786 1.00 48.42 C ATOM 900 O VAL A 435 20.049 -5.052 -0.702 1.00 47.89 O ATOM 901 CB VAL A 435 19.952 -6.814 -3.532 1.00 48.14 C ATOM 902 CG1 VAL A 435 20.548 -5.844 -4.541 1.00 47.06 C ATOM 903 CG2 VAL A 435 21.033 -7.579 -2.789 1.00 47.39 C ATOM 904 H VAL A 435 17.562 -5.977 -4.184 1.00 0.00 H ATOM 905 N VAL A 436 19.235 -3.667 -2.292 1.00 45.06 N ATOM 906 CA VAL A 436 19.636 -2.381 -1.688 1.00 45.24 C ATOM 907 C VAL A 436 18.910 -2.172 -0.345 1.00 49.55 C ATOM 908 O VAL A 436 19.547 -1.799 0.637 1.00 50.55 O ATOM 909 CB VAL A 436 19.433 -1.203 -2.668 1.00 49.53 C ATOM 910 CG1 VAL A 436 19.665 0.146 -1.987 1.00 49.57 C ATOM 911 CG2 VAL A 436 20.344 -1.347 -3.881 1.00 49.35 C ATOM 912 H VAL A 436 18.706 -3.627 -3.186 1.00 0.00 H ATOM 913 N ALA A 437 17.602 -2.487 -0.292 1.00 44.83 N ATOM 914 CA ALA A 437 16.787 -2.408 0.916 1.00 43.66 C ATOM 915 C ALA A 437 17.253 -3.442 1.936 1.00 44.98 C ATOM 916 O ALA A 437 17.224 -3.161 3.129 1.00 44.74 O ATOM 917 CB ALA A 437 15.317 -2.628 0.580 1.00 44.26 C ATOM 918 H ALA A 437 17.143 -2.807 -1.168 1.00 0.00 H ATOM 919 N MET A 438 17.690 -4.626 1.464 1.00 40.29 N ATOM 920 CA MET A 438 18.196 -5.734 2.285 1.00 39.23 C ATOM 921 C MET A 438 19.572 -5.372 2.883 1.00 41.52 C ATOM 922 O MET A 438 19.862 -5.740 4.024 1.00 40.97 O ATOM 923 CB MET A 438 18.297 -7.040 1.462 1.00 41.16 C ATOM 924 CG MET A 438 16.956 -7.584 0.948 1.00 44.08 C ATOM 925 SD MET A 438 17.126 -9.165 0.046 1.00 47.50 S ATOM 926 CE MET A 438 15.543 -9.319 -0.594 1.00 45.10 C ATOM 927 H MET A 438 17.667 -4.767 0.434 1.00 0.00 H ATOM 928 N ALA A 439 20.416 -4.686 2.086 1.00 37.01 N ATOM 929 CA ALA A 439 21.741 -4.203 2.465 1.00 36.61 C ATOM 930 C ALA A 439 21.612 -3.159 3.606 1.00 41.04 C ATOM 931 O ALA A 439 22.332 -3.242 4.605 1.00 41.49 O ATOM 932 CB ALA A 439 22.434 -3.587 1.251 1.00 37.09 C ATOM 933 H ALA A 439 20.096 -4.483 1.118 1.00 0.00 H ATOM 934 N ARG A 440 20.659 -2.220 3.466 1.00 36.17 N ATOM 935 CA ARG A 440 20.357 -1.177 4.453 1.00 35.05 C ATOM 936 C ARG A 440 19.954 -1.765 5.773 1.00 39.55 C ATOM 937 O ARG A 440 20.490 -1.352 6.802 1.00 41.98 O ATOM 938 CB ARG A 440 19.303 -0.200 3.923 1.00 32.21 C ATOM 939 CG ARG A 440 19.884 0.719 2.865 1.00 37.12 C ATOM 940 CD ARG A 440 18.841 1.506 2.134 1.00 42.12 C ATOM 941 NE ARG A 440 19.482 2.384 1.157 1.00 59.57 N ATOM 942 CZ ARG A 440 18.854 2.948 0.133 1.00 81.67 C ATOM 943 NH1 ARG A 440 17.560 2.723 -0.066 1.00 74.95 N ATOM 944 NH2 ARG A 440 19.519 3.724 -0.714 1.00 66.82 N ATOM 945 HE ARG A 440 20.497 2.580 1.272 1.00 0.00 H ATOM 946 HH12 ARG A 440 17.073 3.167 -0.870 1.00 0.00 H ATOM 947 HH11 ARG A 440 17.034 2.102 0.582 1.00 0.00 H ATOM 948 HH22 ARG A 440 19.023 4.164 -1.515 1.00 0.00 H ATOM 949 HH21 ARG A 440 20.536 3.892 -0.576 1.00 0.00 H ATOM 950 H ARG A 440 20.094 -2.234 2.593 1.00 0.00 H ATOM 951 N LYS A 441 19.108 -2.789 5.749 1.00 35.32 N ATOM 952 CA LYS A 441 18.660 -3.502 6.945 1.00 35.92 C ATOM 953 C LYS A 441 19.793 -4.269 7.604 1.00 39.03 C ATOM 954 O LYS A 441 19.856 -4.274 8.823 1.00 40.37 O ATOM 955 CB LYS A 441 17.510 -4.480 6.620 1.00 40.06 C ATOM 956 CG LYS A 441 16.131 -3.851 6.459 1.00 60.44 C ATOM 957 CD LYS A 441 15.076 -4.951 6.411 1.00 74.59 C ATOM 958 CE LYS A 441 13.677 -4.469 6.682 1.00 89.40 C ATOM 959 NZ LYS A 441 12.747 -5.609 6.902 1.00 96.75 N ATOM 960 HZ1 LYS A 441 12.732 -6.211 6.054 1.00 0.00 H ATOM 961 HZ2 LYS A 441 13.070 -6.166 7.719 1.00 0.00 H ATOM 962 HZ3 LYS A 441 11.791 -5.244 7.086 1.00 0.00 H ATOM 963 H LYS A 441 18.743 -3.102 4.827 1.00 0.00 H ATOM 964 N LEU A 442 20.671 -4.942 6.827 1.00 34.85 N ATOM 965 CA LEU A 442 21.786 -5.695 7.433 1.00 34.13 C ATOM 966 C LEU A 442 22.863 -4.745 7.985 1.00 36.67 C ATOM 967 O LEU A 442 23.432 -5.033 9.027 1.00 37.18 O ATOM 968 CB LEU A 442 22.380 -6.788 6.499 1.00 33.61 C ATOM 969 CG LEU A 442 23.354 -7.794 7.174 1.00 37.20 C ATOM 970 CD1 LEU A 442 22.637 -8.680 8.182 1.00 37.60 C ATOM 971 CD2 LEU A 442 24.067 -8.662 6.169 1.00 35.07 C ATOM 972 H LEU A 442 20.560 -4.929 5.793 1.00 0.00 H ATOM 973 N GLN A 443 23.096 -3.608 7.315 1.00 32.62 N ATOM 974 CA GLN A 443 24.041 -2.579 7.747 1.00 33.43 C ATOM 975 C GLN A 443 23.617 -1.901 9.052 1.00 39.91 C ATOM 976 O GLN A 443 24.476 -1.610 9.886 1.00 38.20 O ATOM 977 CB GLN A 443 24.282 -1.535 6.650 1.00 34.71 C ATOM 978 CG GLN A 443 25.416 -0.592 7.030 1.00 39.78 C ATOM 979 CD GLN A 443 25.967 0.159 5.888 1.00 46.89 C ATOM 980 OE1 GLN A 443 25.332 0.312 4.854 1.00 47.53 O ATOM 981 NE2 GLN A 443 27.166 0.659 6.061 1.00 38.40 N ATOM 982 HE22 GLN A 443 27.670 0.504 6.958 1.00 0.00 H ATOM 983 HE21 GLN A 443 27.614 1.211 5.302 1.00 0.00 H ATOM 984 H GLN A 443 22.571 -3.447 6.432 1.00 0.00 H ATOM 985 N ASP A 444 22.300 -1.685 9.245 1.00 38.68 N ATOM 986 CA ASP A 444 21.783 -1.104 10.489 1.00 38.89 C ATOM 987 C ASP A 444 22.087 -2.066 11.647 1.00 43.35 C ATOM 988 O ASP A 444 22.453 -1.606 12.730 1.00 44.14 O ATOM 989 CB ASP A 444 20.271 -0.782 10.383 1.00 40.93 C ATOM 990 CG ASP A 444 19.881 0.314 9.380 1.00 50.95 C ATOM 991 OD1 ASP A 444 20.777 1.106 8.967 1.00 53.95 O ATOM 992 OD2 ASP A 444 18.686 0.381 9.007 1.00 51.30 O ATOM 993 H ASP A 444 21.631 -1.938 8.490 1.00 0.00 H ATOM 994 N VAL A 445 22.014 -3.401 11.392 1.00 38.51 N ATOM 995 CA VAL A 445 22.352 -4.442 12.386 1.00 37.29 C ATOM 996 C VAL A 445 23.854 -4.354 12.700 1.00 40.13 C ATOM 997 O VAL A 445 24.212 -4.273 13.875 1.00 41.04 O ATOM 998 CB VAL A 445 21.923 -5.879 11.950 1.00 40.24 C ATOM 999 CG1 VAL A 445 22.344 -6.940 12.978 1.00 39.40 C ATOM 1000 CG2 VAL A 445 20.422 -5.946 11.687 1.00 39.82 C ATOM 1001 H VAL A 445 21.704 -3.705 10.447 1.00 0.00 H ATOM 1002 N PHE A 446 24.723 -4.320 11.643 1.00 34.53 N ATOM 1003 CA PHE A 446 26.182 -4.202 11.776 1.00 31.86 C ATOM 1004 C PHE A 446 26.616 -2.908 12.520 1.00 33.86 C ATOM 1005 O PHE A 446 27.416 -2.979 13.457 1.00 31.93 O ATOM 1006 CB PHE A 446 26.896 -4.305 10.405 1.00 32.18 C ATOM 1007 CG PHE A 446 28.350 -3.876 10.483 1.00 32.50 C ATOM 1008 CD1 PHE A 446 29.294 -4.673 11.119 1.00 33.83 C ATOM 1009 CD2 PHE A 446 28.757 -2.640 9.988 1.00 33.75 C ATOM 1010 CE1 PHE A 446 30.622 -4.250 11.244 1.00 34.21 C ATOM 1011 CE2 PHE A 446 30.081 -2.212 10.129 1.00 35.86 C ATOM 1012 CZ PHE A 446 31.006 -3.029 10.733 1.00 33.72 C ATOM 1013 H PHE A 446 24.325 -4.382 10.684 1.00 0.00 H ATOM 1014 N GLU A 447 26.143 -1.740 12.054 1.00 30.47 N ATOM 1015 CA GLU A 447 26.491 -0.438 12.629 1.00 31.16 C ATOM 1016 C GLU A 447 26.142 -0.311 14.102 1.00 38.62 C ATOM 1017 O GLU A 447 26.928 0.249 14.860 1.00 39.03 O ATOM 1018 CB GLU A 447 25.894 0.722 11.816 1.00 32.15 C ATOM 1019 CG GLU A 447 26.455 0.868 10.408 1.00 33.14 C ATOM 1020 CD GLU A 447 27.933 1.158 10.216 1.00 54.15 C ATOM 1021 OE1 GLU A 447 28.616 1.509 11.205 1.00 52.98 O ATOM 1022 OE2 GLU A 447 28.407 1.048 9.060 1.00 49.30 O ATOM 1023 H GLU A 447 25.495 -1.761 11.241 1.00 0.00 H ATOM 1024 N PHE A 448 25.002 -0.874 14.518 1.00 38.68 N ATOM 1025 CA PHE A 448 24.540 -0.883 15.902 1.00 40.16 C ATOM 1026 C PHE A 448 25.457 -1.729 16.779 1.00 43.89 C ATOM 1027 O PHE A 448 25.901 -1.265 17.825 1.00 45.07 O ATOM 1028 CB PHE A 448 23.067 -1.372 15.983 1.00 43.69 C ATOM 1029 CG PHE A 448 22.581 -1.723 17.375 1.00 47.40 C ATOM 1030 CD1 PHE A 448 22.175 -0.724 18.264 1.00 51.71 C ATOM 1031 CD2 PHE A 448 22.551 -3.050 17.808 1.00 50.63 C ATOM 1032 CE1 PHE A 448 21.767 -1.046 19.564 1.00 53.00 C ATOM 1033 CE2 PHE A 448 22.122 -3.374 19.103 1.00 54.09 C ATOM 1034 CZ PHE A 448 21.734 -2.368 19.972 1.00 52.64 C ATOM 1035 H PHE A 448 24.403 -1.338 13.805 1.00 0.00 H ATOM 1036 N ARG A 449 25.719 -2.969 16.373 1.00 39.84 N ATOM 1037 CA ARG A 449 26.579 -3.877 17.128 1.00 39.56 C ATOM 1038 C ARG A 449 28.014 -3.413 17.154 1.00 41.03 C ATOM 1039 O ARG A 449 28.672 -3.573 18.182 1.00 42.43 O ATOM 1040 CB ARG A 449 26.483 -5.312 16.587 1.00 42.97 C ATOM 1041 CG ARG A 449 26.064 -6.322 17.658 1.00 51.98 C ATOM 1042 CD ARG A 449 26.413 -7.726 17.215 1.00 65.97 C ATOM 1043 NE ARG A 449 27.198 -8.452 18.215 1.00 76.92 N ATOM 1044 CZ ARG A 449 26.756 -9.509 18.889 1.00 96.06 C ATOM 1045 NH1 ARG A 449 25.530 -9.974 18.681 1.00 88.64 N ATOM 1046 NH2 ARG A 449 27.539 -10.116 19.771 1.00 83.83 N ATOM 1047 HE ARG A 449 28.164 -8.119 18.411 1.00 0.00 H ATOM 1048 HH12 ARG A 449 25.191 -10.801 19.212 1.00 0.00 H ATOM 1049 HH11 ARG A 449 24.909 -9.511 17.987 1.00 0.00 H ATOM 1050 HH22 ARG A 449 27.188 -10.943 20.296 1.00 0.00 H ATOM 1051 HH21 ARG A 449 28.504 -9.765 19.938 1.00 0.00 H ATOM 1052 H ARG A 449 25.295 -3.304 15.484 1.00 0.00 H ATOM 1053 N TYR A 450 28.511 -2.851 16.032 1.00 34.56 N ATOM 1054 CA TYR A 450 29.877 -2.330 15.951 1.00 33.35 C ATOM 1055 C TYR A 450 30.056 -1.096 16.870 1.00 40.66 C ATOM 1056 O TYR A 450 31.087 -0.987 17.540 1.00 41.04 O ATOM 1057 CB TYR A 450 30.273 -2.056 14.492 1.00 32.42 C ATOM 1058 CG TYR A 450 31.700 -1.600 14.320 1.00 33.35 C ATOM 1059 CD1 TYR A 450 32.766 -2.483 14.501 1.00 36.07 C ATOM 1060 CD2 TYR A 450 31.993 -0.294 13.951 1.00 33.37 C ATOM 1061 CE1 TYR A 450 34.088 -2.063 14.342 1.00 36.62 C ATOM 1062 CE2 TYR A 450 33.307 0.133 13.778 1.00 33.79 C ATOM 1063 CZ TYR A 450 34.351 -0.753 13.970 1.00 40.53 C ATOM 1064 OH TYR A 450 35.635 -0.301 13.799 1.00 43.06 O ATOM 1065 HH TYR A 450 36.270 -1.042 13.969 1.00 0.00 H ATOM 1066 H TYR A 450 27.900 -2.785 15.193 1.00 0.00 H ATOM 1067 N ALA A 451 29.031 -0.199 16.935 1.00 38.44 N ATOM 1068 CA ALA A 451 29.021 0.984 17.809 1.00 38.89 C ATOM 1069 C ALA A 451 29.015 0.602 19.297 1.00 43.82 C ATOM 1070 O ALA A 451 29.751 1.203 20.077 1.00 42.47 O ATOM 1071 CB ALA A 451 27.826 1.865 17.496 1.00 39.27 C ATOM 1072 H ALA A 451 28.203 -0.362 16.327 1.00 0.00 H ATOM 1073 N LYS A 452 28.201 -0.408 19.674 1.00 42.82 N ATOM 1074 CA LYS A 452 28.057 -0.911 21.053 1.00 43.98 C ATOM 1075 C LYS A 452 29.213 -1.835 21.475 1.00 51.60 C ATOM 1076 O LYS A 452 29.093 -2.524 22.484 1.00 52.16 O ATOM 1077 CB LYS A 452 26.699 -1.649 21.241 1.00 45.34 C ATOM 1078 CG LYS A 452 25.445 -0.794 21.044 1.00 47.23 C ATOM 1079 CD LYS A 452 25.033 -0.058 22.299 1.00 53.91 C ATOM 1080 CE LYS A 452 23.786 0.760 22.078 1.00 58.97 C ATOM 1081 NZ LYS A 452 23.392 1.487 23.308 1.00 69.32 N ATOM 1082 HZ1 LYS A 452 23.208 0.803 24.070 1.00 0.00 H ATOM 1083 HZ2 LYS A 452 24.161 2.127 23.593 1.00 0.00 H ATOM 1084 HZ3 LYS A 452 22.531 2.040 23.122 1.00 0.00 H ATOM 1085 H LYS A 452 27.632 -0.867 18.934 1.00 0.00 H ATOM 1086 N MET A 453 30.320 -1.855 20.720 1.00 51.14 N ATOM 1087 CA MET A 453 31.457 -2.720 21.015 1.00 52.38 C ATOM 1088 C MET A 453 32.208 -2.292 22.283 1.00 60.31 C ATOM 1089 O MET A 453 32.725 -1.166 22.343 1.00 60.28 O ATOM 1090 CB MET A 453 32.419 -2.843 19.810 1.00 54.29 C ATOM 1091 CG MET A 453 33.523 -3.889 19.999 1.00 57.50 C ATOM 1092 SD MET A 453 34.720 -4.036 18.638 1.00 61.35 S ATOM 1093 CE MET A 453 33.734 -4.769 17.444 1.00 57.34 C ATOM 1094 H MET A 453 30.370 -1.229 19.891 1.00 0.00 H ATOM 1095 N PRO A 454 32.323 -3.224 23.265 1.00 58.63 N ATOM 1096 CA PRO A 454 33.069 -2.921 24.500 1.00 62.43 C ATOM 1097 C PRO A 454 34.576 -3.030 24.299 1.00 91.01 C ATOM 1098 O PRO A 454 35.169 -2.223 23.592 1.00 64.37 O ATOM 1099 CB PRO A 454 32.571 -3.988 25.495 1.00 63.53 C ATOM 1100 CG PRO A 454 31.492 -4.784 24.770 1.00 67.00 C ATOM 1101 CD PRO A 454 31.760 -4.588 23.309 1.00 61.87 C TER 1102 PRO A 454 HETATM 1103 O HOH 1 32.739 -11.463 -2.930 1.00 37.70 O HETATM 1104 O HOH 2 35.821 -7.647 -9.519 1.00 27.50 O HETATM 1105 O HOH 3 27.207 -11.267 -2.018 1.00 31.04 O HETATM 1106 O HOH 4 37.321 1.117 9.276 1.00 40.99 O HETATM 1107 O HOH 5 46.460 -14.162 4.455 1.00 38.84 O HETATM 1108 O HOH 6 40.460 -20.157 6.042 1.00 46.40 O HETATM 1109 O HOH 7 28.302 -8.915 -1.353 1.00 39.52 O HETATM 1110 O HOH 8 31.132 -11.474 -6.869 1.00 41.81 O HETATM 1111 O HOH 9 36.321 -13.530 -2.075 1.00 47.72 O HETATM 1112 O HOH 10 30.031 -8.900 19.330 1.00 62.55 O HETATM 1113 O HOH 11 27.067 -5.919 -4.685 1.00 39.88 O HETATM 1114 O HOH 12 23.112 2.072 9.961 1.00 55.23 O HETATM 1115 O HOH 13 32.940 1.836 1.900 1.00 36.13 O HETATM 1116 O HOH 14 19.366 -11.708 -14.130 1.00 51.13 O HETATM 1117 O HOH 15 22.073 1.070 13.085 1.00 49.33 O HETATM 1118 O HOH 16 25.176 -13.696 -3.187 1.00 42.04 O HETATM 1119 O HOH 17 27.684 -6.491 -2.169 1.00 37.30 O HETATM 1120 O HOH 18 41.743 -18.823 13.411 1.00 49.39 O HETATM 1121 O HOH 19 33.215 0.687 17.906 1.00 52.07 O HETATM 1122 O HOH 20 40.007 -4.020 5.391 1.00 39.11 O HETATM 1123 O HOH 21 14.088 -12.541 1.384 1.00 50.72 O HETATM 1124 O HOH 22 35.276 -20.636 6.141 1.00 62.41 O HETATM 1125 O HOH 23 29.361 -17.312 -5.436 1.00 50.79 O HETATM 1126 O HOH 24 30.611 -7.461 -3.773 1.00 43.93 O HETATM 1127 O HOH 25 24.556 -15.549 -1.122 1.00 43.51 O HETATM 1128 O HOH 26 23.349 -13.106 -19.965 1.00 64.91 O HETATM 1129 O HOH 27 31.326 -9.301 -14.900 1.00 44.69 O HETATM 1130 O HOH 28 34.771 -2.171 -5.188 1.00 30.27 O HETATM 1131 O HOH 29 29.105 0.974 4.061 1.00 31.13 O HETATM 1132 O HOH 30 38.508 -3.108 3.055 1.00 44.09 O HETATM 1133 O HOH 31 38.099 -7.888 -3.032 1.00 33.47 O HETATM 1134 O HOH 32 35.449 -4.461 -20.159 1.00 73.78 O HETATM 1135 O HOH 33 31.136 -13.574 -9.903 1.00 45.93 O HETATM 1136 O HOH 34 35.402 0.463 24.477 1.00 62.23 O HETATM 1137 O HOH 35 14.809 -12.525 8.881 1.00 63.30 O HETATM 1138 O HOH 36 34.461 -0.588 -7.496 1.00 39.63 O HETATM 1139 O HOH 37 41.812 -11.268 12.141 1.00 38.21 O HETATM 1140 O HOH 38 21.916 2.011 -4.820 1.00 54.16 O HETATM 1141 O HOH 39 22.189 3.389 1.222 1.00 48.63 O HETATM 1142 O HOH 40 18.935 -9.526 -12.382 1.00 53.51 O HETATM 1143 O HOH 41 39.782 -6.282 1.193 1.00 36.68 O HETATM 1144 O HOH 42 22.844 -18.607 -15.992 1.00 62.73 O HETATM 1145 O HOH 43 30.633 -10.515 -4.173 1.00 31.85 O HETATM 1146 O HOH 44 41.103 -13.174 13.898 1.00 54.54 O HETATM 1147 O HOH 45 28.677 -17.262 4.856 1.00 64.97 O HETATM 1148 O HOH 46 26.215 -13.295 17.841 1.00 61.07 O HETATM 1149 O HOH 47 42.588 -20.784 15.123 1.00 59.56 O HETATM 1150 O HOH 48 19.143 -16.497 15.029 1.00 61.04 O HETATM 1151 O HOH 49 27.556 -20.930 -11.049 1.00 68.44 O HETATM 1152 O HOH 50 27.938 -12.982 -16.852 1.00 65.35 O HETATM 1153 O HOH 51 41.181 -19.261 3.480 1.00 54.74 O HETATM 1154 O HOH 52 32.849 0.240 -3.335 1.00 52.34 O HETATM 1155 O HOH 53 35.465 1.799 7.315 1.00 40.39 O HETATM 1156 O HOH 54 15.438 -0.614 3.749 1.00 43.45 O HETATM 1157 O HOH 55 15.112 -9.129 12.771 1.00 59.09 O HETATM 1158 O HOH 56 41.518 -6.254 5.482 1.00 56.32 O HETATM 1159 O HOH 57 15.526 1.626 2.216 1.00 63.54 O HETATM 1160 O HOH 58 47.782 -11.576 7.029 1.00 49.59 O HETATM 1161 O HOH 59 37.839 -16.041 -0.388 1.00 46.38 O HETATM 1162 O HOH 60 29.685 -6.150 20.315 1.00 65.36 O HETATM 1163 O HOH 61 16.063 5.815 -1.036 1.00 64.96 O HETATM 1164 O HOH 62 45.494 -11.119 14.326 1.00 64.72 O HETATM 1165 O HOH 63 32.896 -20.675 3.129 1.00 48.08 O HETATM 1166 O HOH 64 41.056 0.064 7.752 1.00 44.27 O HETATM 1167 O HOH 65 25.795 -19.678 3.359 1.00 53.88 O HETATM 1168 O HOH 66 18.276 6.994 -2.092 1.00 65.11 O HETATM 1169 O HOH 67 23.280 -20.199 -8.550 1.00 55.12 O HETATM 1170 O HOH 68 39.202 -15.047 1.690 1.00 47.11 O HETATM 1171 O HOH 69 13.962 -7.580 -7.248 1.00 61.22 O HETATM 1172 O HOH 70 37.862 -0.646 1.834 1.00 47.64 O HETATM 1173 O HOH 71 24.588 -21.627 -10.458 1.00 66.71 O HETATM 1174 O HOH 72 37.480 0.626 -6.238 1.00 72.43 O HETATM 1175 O HOH 73 38.530 -0.983 -1.936 1.00 55.06 O HETATM 1176 O HOH 74 36.630 -0.675 -3.861 1.00 45.56 O HETATM 1177 O HOH 75 43.841 -13.099 15.177 1.00 59.92 O HETATM 1178 O HOH 76 41.465 -1.674 5.639 1.00 51.91 O HETATM 1179 O HOH 77 24.204 -18.241 -1.228 1.00 48.63 O HETATM 1180 O HOH 78 26.465 -19.325 5.967 1.00 54.98 O HETATM 1181 O HOH 79 40.755 -13.162 0.272 1.00 52.29 O HETATM 1182 N1 HWV A 80 23.915 -8.711 -4.329 1.00 -0.22 N HETATM 1183 C7 HWV A 80 23.417 -9.976 -4.502 1.00 0.06 C HETATM 1184 C6 HWV A 80 22.736 -10.377 -5.616 1.00 -0.01 C HETATM 1185 C5 HWV A 80 22.487 -9.402 -6.659 1.00 -0.03 C HETATM 1186 C4 HWV A 80 21.769 -9.345 -7.882 1.00 -0.05 C HETATM 1187 C3 HWV A 80 21.832 -8.062 -8.357 1.00 0.13 C HETATM 1188 C2 HWV A 80 21.168 -7.573 -9.576 1.00 0.22 C HETATM 1189 N HWV A 80 21.224 -6.260 -9.799 1.00 -0.29 N HETATM 1190 C1 HWV A 80 20.640 -5.629 -10.979 1.00 0.03 C HETATM 1191 C HWV A 80 21.053 -4.192 -11.091 1.00 -0.04 C HETATM 1192 H16 HWV A 80 20.597 -3.748 -11.988 1.00 0.02 H HETATM 1193 H17 HWV A 80 22.148 -4.130 -11.168 1.00 0.02 H HETATM 1194 H18 HWV A 80 20.717 -3.643 -10.199 1.00 0.02 H HETATM 1195 H19 HWV A 80 19.544 -5.682 -10.908 1.00 0.05 H HETATM 1196 H20 HWV A 80 20.976 -6.169 -11.877 1.00 0.05 H HETATM 1197 H15 HWV A 80 21.687 -5.681 -9.128 1.00 0.18 H HETATM 1198 O HWV A 80 20.652 -8.362 -10.362 1.00 -0.39 O HETATM 1199 N2 HWV A 80 22.580 -7.316 -7.478 1.00 -0.27 N HETATM 1200 C10 HWV A 80 22.993 -8.112 -6.437 1.00 0.13 C HETATM 1201 C9 HWV A 80 23.752 -7.696 -5.286 1.00 0.24 C HETATM 1202 O1 HWV A 80 24.254 -6.588 -5.103 1.00 -0.40 O HETATM 1203 H29 HWV A 80 22.797 -6.315 -7.583 1.00 0.23 H HETATM 1204 H1 HWV A 80 21.256 -10.178 -8.360 1.00 0.04 H HETATM 1205 C11 HWV A 80 22.181 -11.754 -5.734 1.00 0.02 C HETATM 1206 C12 HWV A 80 23.002 -12.885 -5.600 1.00 -0.05 C HETATM 1207 C13 HWV A 80 22.491 -14.182 -5.693 1.00 -0.05 C HETATM 1208 C14 HWV A 80 21.124 -14.337 -5.915 1.00 -0.05 C HETATM 1209 C15 HWV A 80 20.290 -13.242 -6.056 1.00 0.00 C HETATM 1210 C16 HWV A 80 20.814 -11.955 -5.968 1.00 0.15 C HETATM 1211 O2 HWV A 80 19.997 -10.826 -6.116 1.00 -0.24 O HETATM 1212 C17 HWV A 80 18.610 -10.912 -6.093 1.00 0.13 C HETATM 1213 C18 HWV A 80 17.952 -10.762 -4.862 1.00 -0.02 C HETATM 1214 C20 HWV A 80 16.564 -10.875 -4.860 1.00 -0.04 C HETATM 1215 C21 HWV A 80 15.908 -11.093 -6.049 1.00 0.11 C HETATM 1216 C22 HWV A 80 16.549 -11.220 -7.258 1.00 -0.04 C HETATM 1217 C23 HWV A 80 17.937 -11.129 -7.304 1.00 -0.02 C HETATM 1218 C24 HWV A 80 18.662 -11.202 -8.624 1.00 -0.03 C HETATM 1219 H9 HWV A 80 19.745 -11.112 -8.453 1.00 0.04 H HETATM 1220 H10 HWV A 80 18.324 -10.382 -9.274 1.00 0.04 H HETATM 1221 H11 HWV A 80 18.446 -12.166 -9.108 1.00 0.04 H HETATM 1222 H8 HWV A 80 15.980 -11.389 -8.165 1.00 0.05 H HETATM 1223 F HWV A 80 14.551 -11.180 -6.028 1.00 -0.19 F HETATM 1224 H7 HWV A 80 16.008 -10.792 -3.933 1.00 0.05 H HETATM 1225 C19 HWV A 80 18.682 -10.389 -3.598 1.00 -0.03 C HETATM 1226 H23 HWV A 80 19.763 -10.350 -3.797 1.00 0.04 H HETATM 1227 H24 HWV A 80 18.479 -11.141 -2.822 1.00 0.04 H HETATM 1228 H25 HWV A 80 18.337 -9.403 -3.252 1.00 0.04 H HETATM 1229 H6 HWV A 80 19.230 -13.386 -6.235 1.00 0.07 H HETATM 1230 H22 HWV A 80 20.706 -15.335 -5.979 1.00 0.08 H HETATM 1231 C25 HWV A 80 23.397 -15.413 -5.612 1.00 0.03 C HETATM 1232 C26 HWV A 80 23.124 -16.247 -4.362 1.00 -0.07 C HETATM 1233 H12 HWV A 80 23.797 -17.117 -4.348 1.00 0.01 H HETATM 1234 H13 HWV A 80 22.079 -16.591 -4.372 1.00 0.01 H HETATM 1235 H14 HWV A 80 23.300 -15.633 -3.466 1.00 0.01 H HETATM 1236 C27 HWV A 80 23.254 -16.278 -6.862 1.00 -0.07 C HETATM 1237 H26 HWV A 80 23.453 -15.667 -7.755 1.00 0.01 H HETATM 1238 H27 HWV A 80 22.232 -16.682 -6.914 1.00 0.01 H HETATM 1239 H28 HWV A 80 23.974 -17.108 -6.818 1.00 0.01 H HETATM 1240 O3 HWV A 80 24.784 -15.017 -5.540 1.00 -0.44 O HETATM 1241 H30 HWV A 80 24.926 -14.507 -4.751 1.00 0.19 H HETATM 1242 H21 HWV A 80 24.062 -12.748 -5.419 1.00 0.07 H HETATM 1243 H2 HWV A 80 23.573 -10.703 -3.706 1.00 0.11 H HETATM 1244 C8 HWV A 80 24.643 -8.371 -3.106 1.00 0.06 C HETATM 1245 H3 HWV A 80 24.694 -9.254 -2.452 1.00 0.06 H HETATM 1246 H4 HWV A 80 24.120 -7.557 -2.582 1.00 0.06 H HETATM 1247 H5 HWV A 80 25.662 -8.046 -3.364 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1182 1183 1201 1244 CONECT 1183 1182 1184 1243 CONECT 1184 1183 1185 1205 CONECT 1185 1184 1186 1200 CONECT 1186 1185 1187 1204 CONECT 1187 1186 1188 1199 CONECT 1188 1187 1189 1198 CONECT 1189 1188 1190 1197 CONECT 1190 1189 1191 1195 1196 CONECT 1191 1190 1192 1193 1194 CONECT 1192 1191 CONECT 1193 1191 CONECT 1194 1191 CONECT 1195 1190 CONECT 1196 1190 CONECT 1197 1189 CONECT 1198 1188 CONECT 1199 1187 1200 1203 CONECT 1200 1185 1199 1201 CONECT 1201 1182 1200 1202 CONECT 1202 1201 CONECT 1203 1199 CONECT 1204 1186 CONECT 1205 1184 1206 1210 CONECT 1206 1205 1207 1242 CONECT 1207 1206 1208 1231 CONECT 1208 1207 1209 1230 CONECT 1209 1208 1210 1229 CONECT 1210 1205 1209 1211 CONECT 1211 1210 1212 CONECT 1212 1211 1213 1217 CONECT 1213 1212 1214 1225 CONECT 1214 1213 1215 1224 CONECT 1215 1214 1216 1223 CONECT 1216 1215 1217 1222 CONECT 1217 1212 1216 1218 CONECT 1218 1217 1219 1220 1221 CONECT 1219 1218 CONECT 1220 1218 CONECT 1221 1218 CONECT 1222 1216 CONECT 1223 1215 CONECT 1224 1214 CONECT 1225 1213 1226 1227 1228 CONECT 1226 1225 CONECT 1227 1225 CONECT 1228 1225 CONECT 1229 1209 CONECT 1230 1208 CONECT 1231 1207 1232 1236 1240 CONECT 1232 1231 1233 1234 1235 CONECT 1233 1232 CONECT 1234 1232 CONECT 1235 1232 CONECT 1236 1231 1237 1238 1239 CONECT 1237 1236 CONECT 1238 1236 CONECT 1239 1236 CONECT 1240 1231 1241 CONECT 1241 1240 CONECT 1242 1206 CONECT 1243 1183 CONECT 1244 1182 1245 1246 1247 CONECT 1245 1244 CONECT 1246 1244 CONECT 1247 1244 MASTER 0 0 0 0 0 0 0 0 1246 1 70 9 END
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Related entries of code: 6e6j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
110aa, >6MOA_1|Chain... at 100%
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RCSB PDB
PDBbind
112aa, >6K04_1|Chain... at 100%
6ffg
RCSB PDB
PDBbind
115aa, >6FFG_1|Chain... at 97%
6fff
RCSB PDB
PDBbind
115aa, >6FFF_1|Chain... at 97%
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RCSB PDB
PDBbind
115aa, >6FFE_1|Chain... at 97%
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
6e6j
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 2
Ligand Name
HWV
EC.Number
E.C.-.-.-.-
Resolution
2.44(Å)
Affinity (Kd/Ki/IC50)
IC50=8nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Nature Vol. 578: pp. 306-310
Ligand Properties
Formula
C
2
8
H
3
0
FN
3
O
4
Molecular Weight
491.554
Exact Mass
491.222
No. of atoms
66
No. of bonds
69
Polar Surface Area
96.35
LOGP Value
3.86 (
Computed with XLOGP3
)
5.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
CCNC(=O)c1cc2c([nH]1)c(=O)n(cc2c1cc(ccc1Oc1c(C)cc(cc1C)F)C(O)(C)C)C
InChI String
InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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):
P25440
Entrez Gene ID
NCBI Entrez Gene ID:
6046
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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