Browse entries in the PDBbind-CN Database
HEADER 4QEW_COMPLEX COMPND 4QEW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 GLY LYS LEU SER GLU GLN LEU LYS HIS CYS ASN GLY ILE SEQRES 2 A 112 LEU LYS GLU LEU LEU SER LYS LYS HIS ALA ALA TYR ALA SEQRES 3 A 112 TRP PRO PHE TYR LYS PRO VAL ASP ALA SER ALA LEU GLY SEQRES 4 A 112 ALA HIS ASP TYR HIS ASP ILE ILE LYS HIS PRO MET ASP SEQRES 5 A 112 LEU SER THR VAL LYS ARG LYS MET GLU ASN ARG ASP TYR SEQRES 6 A 112 ARG ASP ALA GLN GLU PHE ALA ALA ASP VAL ARG LEU MET SEQRES 7 A 112 PHE SER ASN CYS TYR LYS TYR ASN PRO PRO ASP HIS ASP SEQRES 8 A 112 VAL VAL ALA MET ALA ARG LYS LEU GLN ASP VAL PHE GLU SEQRES 9 A 112 PHE ARG TYR ALA LYS MET PRO ASP HET NI A 1 1 HET UNN A 180 54 ATOM 1 N GLY A 344 52.679 18.419 48.467 1.00 36.18 N ATOM 2 CA GLY A 344 51.963 19.517 49.205 1.00 34.88 C ATOM 3 C GLY A 344 51.547 19.047 50.589 1.00 33.55 C ATOM 4 O GLY A 344 52.286 19.207 51.558 1.00 30.30 O ATOM 5 HN3 GLY A 344 52.047 17.599 48.369 1.00 0.00 H ATOM 6 HN2 GLY A 344 53.528 18.142 48.999 1.00 0.00 H ATOM 7 HN1 GLY A 344 52.955 18.760 47.524 1.00 0.00 H ATOM 8 N LYS A 345 50.355 18.461 50.684 1.00 32.13 N ATOM 9 CA LYS A 345 49.946 17.760 51.908 1.00 30.86 C ATOM 10 C LYS A 345 50.826 16.520 52.149 1.00 27.58 C ATOM 11 O LYS A 345 51.092 16.145 53.290 1.00 24.87 O ATOM 12 CB LYS A 345 48.472 17.368 51.828 1.00 33.55 C ATOM 13 CG LYS A 345 47.931 16.687 53.077 1.00 35.77 C ATOM 14 CD LYS A 345 46.417 16.539 53.015 1.00 38.80 C ATOM 15 CE LYS A 345 45.962 15.699 51.824 1.00 40.63 C ATOM 16 NZ LYS A 345 44.506 15.383 51.867 1.00 42.01 N ATOM 17 HZ1 LYS A 345 44.294 14.849 52.734 1.00 0.00 H ATOM 18 HZ2 LYS A 345 43.960 16.268 51.861 1.00 0.00 H ATOM 19 HZ3 LYS A 345 44.252 14.812 51.036 1.00 0.00 H ATOM 20 H LYS A 345 49.701 18.500 49.876 1.00 0.00 H ATOM 21 N LEU A 346 51.295 15.903 51.070 1.00 25.47 N ATOM 22 CA LEU A 346 52.243 14.794 51.170 1.00 23.50 C ATOM 23 C LEU A 346 53.612 15.251 51.706 1.00 22.11 C ATOM 24 O LEU A 346 54.220 14.588 52.555 1.00 20.56 O ATOM 25 CB LEU A 346 52.427 14.158 49.801 1.00 24.17 C ATOM 26 CG LEU A 346 53.458 13.040 49.712 1.00 24.11 C ATOM 27 CD1 LEU A 346 53.178 11.990 50.781 1.00 24.21 C ATOM 28 CD2 LEU A 346 53.451 12.435 48.315 1.00 24.88 C ATOM 29 H LEU A 346 50.980 16.217 50.130 1.00 0.00 H ATOM 30 N SER A 347 54.103 16.382 51.196 1.00 20.50 N ATOM 31 CA SER A 347 55.313 16.982 51.746 1.00 19.09 C ATOM 32 C SER A 347 55.142 17.249 53.231 1.00 17.31 C ATOM 33 O SER A 347 56.031 16.964 54.031 1.00 15.83 O ATOM 34 CB SER A 347 55.641 18.283 51.024 1.00 19.91 C ATOM 35 OG SER A 347 56.038 17.995 49.703 1.00 21.32 O ATOM 36 HG SER A 347 56.252 18.839 49.232 1.00 0.00 H ATOM 37 H SER A 347 53.618 16.840 50.398 1.00 0.00 H ATOM 38 N GLU A 348 53.995 17.803 53.590 1.00 15.96 N ATOM 39 CA GLU A 348 53.705 18.121 54.965 1.00 15.84 C ATOM 40 C GLU A 348 53.697 16.856 55.843 1.00 14.60 C ATOM 41 O GLU A 348 54.212 16.850 56.966 1.00 13.72 O ATOM 42 CB GLU A 348 52.368 18.838 55.010 1.00 17.51 C ATOM 43 CG GLU A 348 51.995 19.322 56.366 1.00 19.13 C ATOM 44 CD GLU A 348 50.770 20.219 56.359 1.00 20.84 C ATOM 45 OE1 GLU A 348 50.264 20.593 55.274 1.00 25.74 O ATOM 46 OE2 GLU A 348 50.326 20.544 57.463 1.00 21.16 O ATOM 47 H GLU A 348 53.284 18.014 52.861 1.00 0.00 H ATOM 48 N GLN A 349 53.126 15.774 55.324 1.00 13.42 N ATOM 49 CA GLN A 349 53.113 14.504 56.054 1.00 13.11 C ATOM 50 C GLN A 349 54.529 13.967 56.283 1.00 12.00 C ATOM 51 O GLN A 349 54.828 13.458 57.363 1.00 11.55 O ATOM 52 CB GLN A 349 52.223 13.496 55.323 1.00 14.58 C ATOM 53 CG GLN A 349 50.767 13.924 55.430 1.00 15.55 C ATOM 54 CD GLN A 349 49.820 13.122 54.570 1.00 17.36 C ATOM 55 OE1 GLN A 349 50.236 12.390 53.674 1.00 18.37 O ATOM 56 NE2 GLN A 349 48.517 13.283 54.823 1.00 18.49 N ATOM 57 HE22 GLN A 349 48.210 13.913 55.592 1.00 0.00 H ATOM 58 HE21 GLN A 349 47.810 12.778 54.251 1.00 0.00 H ATOM 59 H GLN A 349 52.682 15.830 54.385 1.00 0.00 H ATOM 60 N LEU A 350 55.397 14.136 55.297 1.00 11.29 N ATOM 61 CA LEU A 350 56.801 13.717 55.437 1.00 10.87 C ATOM 62 C LEU A 350 57.600 14.616 56.398 1.00 10.37 C ATOM 63 O LEU A 350 58.465 14.134 57.121 1.00 9.45 O ATOM 64 CB LEU A 350 57.470 13.614 54.063 1.00 11.40 C ATOM 65 CG LEU A 350 57.002 12.381 53.263 1.00 11.79 C ATOM 66 CD1 LEU A 350 57.379 12.490 51.785 1.00 12.40 C ATOM 67 CD2 LEU A 350 57.557 11.114 53.908 1.00 11.68 C ATOM 68 H LEU A 350 55.081 14.573 54.408 1.00 0.00 H ATOM 69 N LYS A 351 57.305 15.912 56.432 1.00 10.44 N ATOM 70 CA LYS A 351 57.906 16.766 57.476 1.00 10.43 C ATOM 71 C LYS A 351 57.479 16.297 58.866 1.00 9.61 C ATOM 72 O LYS A 351 58.284 16.281 59.788 1.00 8.98 O ATOM 73 CB LYS A 351 57.513 18.240 57.330 1.00 11.33 C ATOM 74 CG LYS A 351 57.849 18.884 56.003 1.00 12.67 C ATOM 75 CD LYS A 351 59.338 19.006 55.803 1.00 13.49 C ATOM 76 CE LYS A 351 59.677 19.955 54.654 1.00 14.51 C ATOM 77 NZ LYS A 351 61.077 19.749 54.196 1.00 15.86 N ATOM 78 HZ1 LYS A 351 61.729 19.931 54.986 1.00 0.00 H ATOM 79 HZ2 LYS A 351 61.192 18.769 53.868 1.00 0.00 H ATOM 80 HZ3 LYS A 351 61.285 20.404 53.415 1.00 0.00 H ATOM 81 H LYS A 351 56.656 16.321 55.729 1.00 0.00 H ATOM 82 N HIS A 352 56.191 15.973 59.035 1.00 9.26 N ATOM 83 CA HIS A 352 55.689 15.386 60.294 1.00 9.09 C ATOM 84 C HIS A 352 56.515 14.149 60.651 1.00 8.52 C ATOM 85 O HIS A 352 56.988 13.997 61.780 1.00 8.38 O ATOM 86 CB HIS A 352 54.181 15.052 60.140 1.00 9.65 C ATOM 87 CG HIS A 352 53.553 14.354 61.303 1.00 10.32 C ATOM 88 ND1 HIS A 352 53.457 14.923 62.552 1.00 10.91 N ATOM 89 CD2 HIS A 352 52.892 13.170 61.381 1.00 10.82 C ATOM 90 CE1 HIS A 352 52.835 14.092 63.366 1.00 10.89 C ATOM 91 NE2 HIS A 352 52.472 13.030 62.680 1.00 11.01 N ATOM 92 H HIS A 352 55.523 16.140 58.255 1.00 0.00 H ATOM 93 N CYS A 353 56.683 13.260 59.681 1.00 8.12 N ATOM 94 CA CYS A 353 57.510 12.067 59.867 1.00 7.67 C ATOM 95 C CYS A 353 58.942 12.410 60.254 1.00 7.44 C ATOM 96 O CYS A 353 59.477 11.852 61.229 1.00 7.27 O ATOM 97 CB CYS A 353 57.512 11.191 58.604 1.00 7.66 C ATOM 98 SG CYS A 353 55.915 10.383 58.319 1.00 7.88 S ATOM 99 H CYS A 353 56.215 13.415 58.765 1.00 0.00 H ATOM 100 N ASN A 354 59.548 13.353 59.544 1.00 7.30 N ATOM 101 CA ASN A 354 60.897 13.769 59.909 1.00 7.27 C ATOM 102 C ASN A 354 60.969 14.357 61.330 1.00 7.15 C ATOM 103 O ASN A 354 61.916 14.103 62.055 1.00 7.03 O ATOM 104 CB ASN A 354 61.441 14.776 58.910 1.00 7.49 C ATOM 105 CG ASN A 354 62.939 14.920 59.007 1.00 7.59 C ATOM 106 OD1 ASN A 354 63.675 13.929 59.020 1.00 7.67 O ATOM 107 ND2 ASN A 354 63.403 16.157 59.041 1.00 7.73 N ATOM 108 HD22 ASN A 354 62.743 16.961 59.028 1.00 0.00 H ATOM 109 HD21 ASN A 354 64.428 16.327 59.081 1.00 0.00 H ATOM 110 H ASN A 354 59.065 13.792 58.734 1.00 0.00 H ATOM 111 N GLY A 355 59.971 15.142 61.726 1.00 7.10 N ATOM 112 CA GLY A 355 59.909 15.663 63.082 1.00 7.14 C ATOM 113 C GLY A 355 59.864 14.577 64.140 1.00 7.16 C ATOM 114 O GLY A 355 60.572 14.623 65.144 1.00 7.15 O ATOM 115 H GLY A 355 59.219 15.388 61.051 1.00 0.00 H ATOM 116 N ILE A 356 59.002 13.585 63.916 1.00 7.29 N ATOM 117 CA ILE A 356 58.953 12.404 64.782 1.00 7.40 C ATOM 118 C ILE A 356 60.333 11.744 64.869 1.00 7.35 C ATOM 119 O ILE A 356 60.829 11.445 65.954 1.00 7.31 O ATOM 120 CB ILE A 356 57.912 11.387 64.274 1.00 7.30 C ATOM 121 CG1 ILE A 356 56.515 11.961 64.432 1.00 7.44 C ATOM 122 CG2 ILE A 356 58.015 10.061 65.025 1.00 7.43 C ATOM 123 CD1 ILE A 356 55.470 11.257 63.579 1.00 7.44 C ATOM 124 H ILE A 356 58.350 13.651 63.109 1.00 0.00 H ATOM 125 N LEU A 357 60.947 11.507 63.722 1.00 7.61 N ATOM 126 CA LEU A 357 62.271 10.866 63.677 1.00 7.83 C ATOM 127 C LEU A 357 63.300 11.602 64.530 1.00 8.00 C ATOM 128 O LEU A 357 63.978 11.016 65.369 1.00 7.82 O ATOM 129 CB LEU A 357 62.750 10.744 62.224 1.00 7.95 C ATOM 130 CG LEU A 357 64.187 10.266 62.006 1.00 8.31 C ATOM 131 CD1 LEU A 357 64.374 8.891 62.615 1.00 8.33 C ATOM 132 CD2 LEU A 357 64.466 10.249 60.512 1.00 8.56 C ATOM 133 H LEU A 357 60.484 11.780 62.832 1.00 0.00 H ATOM 134 N LYS A 358 63.392 12.905 64.311 1.00 8.38 N ATOM 135 CA LYS A 358 64.246 13.762 65.116 1.00 8.72 C ATOM 136 C LYS A 358 63.946 13.649 66.611 1.00 8.32 C ATOM 137 O LYS A 358 64.853 13.564 67.418 1.00 8.24 O ATOM 138 CB LYS A 358 64.105 15.221 64.660 1.00 9.48 C ATOM 139 CG LYS A 358 64.610 15.510 63.251 1.00 10.32 C ATOM 140 CD LYS A 358 66.105 15.318 63.086 1.00 11.48 C ATOM 141 CE LYS A 358 66.530 15.587 61.649 1.00 12.67 C ATOM 142 NZ LYS A 358 67.997 15.541 61.491 1.00 14.43 N ATOM 143 HZ1 LYS A 358 68.433 16.262 62.101 1.00 0.00 H ATOM 144 HZ2 LYS A 358 68.344 14.599 61.763 1.00 0.00 H ATOM 145 HZ3 LYS A 358 68.244 15.729 60.498 1.00 0.00 H ATOM 146 H LYS A 358 62.836 13.327 63.540 1.00 0.00 H ATOM 147 N GLU A 359 62.671 13.636 66.972 1.00 8.09 N ATOM 148 CA GLU A 359 62.291 13.431 68.358 1.00 8.10 C ATOM 149 C GLU A 359 62.786 12.087 68.886 1.00 8.14 C ATOM 150 O GLU A 359 63.307 12.027 69.989 1.00 8.15 O ATOM 151 CB GLU A 359 60.777 13.570 68.571 1.00 8.00 C ATOM 152 CG GLU A 359 60.416 13.340 70.029 1.00 8.09 C ATOM 153 CD GLU A 359 59.013 13.718 70.447 1.00 8.22 C ATOM 154 OE1 GLU A 359 58.191 14.164 69.612 1.00 8.33 O ATOM 155 OE2 GLU A 359 58.749 13.519 71.656 1.00 8.19 O ATOM 156 H GLU A 359 61.933 13.775 66.253 1.00 0.00 H ATOM 157 N LEU A 360 62.625 11.011 68.120 1.00 8.29 N ATOM 158 CA LEU A 360 63.049 9.692 68.613 1.00 8.60 C ATOM 159 C LEU A 360 64.558 9.646 68.829 1.00 9.01 C ATOM 160 O LEU A 360 65.037 8.880 69.653 1.00 9.07 O ATOM 161 CB LEU A 360 62.626 8.577 67.657 1.00 8.66 C ATOM 162 CG LEU A 360 61.132 8.429 67.381 1.00 8.65 C ATOM 163 CD1 LEU A 360 60.895 7.217 66.479 1.00 8.71 C ATOM 164 CD2 LEU A 360 60.327 8.321 68.659 1.00 8.97 C ATOM 165 H LEU A 360 62.200 11.103 67.175 1.00 0.00 H ATOM 166 N LEU A 361 65.277 10.476 68.082 1.00 9.42 N ATOM 167 CA LEU A 361 66.735 10.593 68.190 1.00 9.90 C ATOM 168 C LEU A 361 67.208 11.619 69.224 1.00 10.34 C ATOM 169 O LEU A 361 68.423 11.731 69.458 1.00 10.49 O ATOM 170 CB LEU A 361 67.330 10.935 66.817 1.00 10.07 C ATOM 171 CG LEU A 361 67.201 9.818 65.770 1.00 10.15 C ATOM 172 CD1 LEU A 361 67.521 10.323 64.381 1.00 10.68 C ATOM 173 CD2 LEU A 361 68.116 8.656 66.143 1.00 10.50 C ATOM 174 H LEU A 361 64.783 11.071 67.387 1.00 0.00 H ATOM 175 N SER A 362 66.280 12.337 69.851 1.00 10.79 N ATOM 176 CA SER A 362 66.607 13.470 70.705 1.00 11.45 C ATOM 177 C SER A 362 66.975 13.040 72.137 1.00 12.36 C ATOM 178 O SER A 362 66.616 11.952 72.600 1.00 12.50 O ATOM 179 CB SER A 362 65.444 14.451 70.741 1.00 11.39 C ATOM 180 OG SER A 362 64.440 13.956 71.599 1.00 11.81 O ATOM 181 HG SER A 362 64.124 13.080 71.264 1.00 0.00 H ATOM 182 H SER A 362 65.280 12.079 69.726 1.00 0.00 H ATOM 183 N LYS A 363 67.704 13.908 72.828 1.00 13.56 N ATOM 184 CA LYS A 363 68.157 13.640 74.197 1.00 14.98 C ATOM 185 C LYS A 363 67.015 13.266 75.158 1.00 14.36 C ATOM 186 O LYS A 363 67.189 12.421 76.061 1.00 13.63 O ATOM 187 CB LYS A 363 68.927 14.869 74.719 1.00 17.35 C ATOM 188 CG LYS A 363 69.485 14.727 76.125 1.00 20.58 C ATOM 189 CD LYS A 363 70.325 15.950 76.524 1.00 24.27 C ATOM 190 CE LYS A 363 71.011 15.735 77.878 1.00 26.89 C ATOM 191 NZ LYS A 363 71.593 16.975 78.465 1.00 29.58 N ATOM 192 HZ1 LYS A 363 72.307 17.362 77.816 1.00 0.00 H ATOM 193 HZ2 LYS A 363 70.838 17.676 78.610 1.00 0.00 H ATOM 194 HZ3 LYS A 363 72.038 16.749 79.377 1.00 0.00 H ATOM 195 H LYS A 363 67.963 14.811 72.382 1.00 0.00 H ATOM 196 N LYS A 364 65.857 13.898 74.958 1.00 14.38 N ATOM 197 CA LYS A 364 64.677 13.675 75.794 1.00 14.82 C ATOM 198 C LYS A 364 64.344 12.175 75.966 1.00 13.11 C ATOM 199 O LYS A 364 63.888 11.758 77.046 1.00 12.69 O ATOM 200 CB LYS A 364 63.470 14.409 75.177 1.00 17.09 C ATOM 201 CG LYS A 364 62.147 14.197 75.880 1.00 20.05 C ATOM 202 CD LYS A 364 61.017 14.925 75.168 1.00 22.49 C ATOM 203 CE LYS A 364 59.731 14.867 75.988 1.00 24.38 C ATOM 204 NZ LYS A 364 58.708 15.847 75.515 1.00 26.06 N ATOM 205 HZ1 LYS A 364 59.093 16.810 75.588 1.00 0.00 H ATOM 206 HZ2 LYS A 364 58.467 15.643 74.524 1.00 0.00 H ATOM 207 HZ3 LYS A 364 57.855 15.767 76.104 1.00 0.00 H ATOM 208 H LYS A 364 65.790 14.578 74.174 1.00 0.00 H ATOM 209 N HIS A 365 64.546 11.388 74.898 1.00 11.13 N ATOM 210 CA HIS A 365 64.183 9.972 74.899 1.00 10.02 C ATOM 211 C HIS A 365 65.378 9.022 74.931 1.00 9.63 C ATOM 212 O HIS A 365 65.216 7.810 74.827 1.00 8.93 O ATOM 213 CB HIS A 365 63.328 9.658 73.652 1.00 9.63 C ATOM 214 CG HIS A 365 62.081 10.477 73.563 1.00 9.41 C ATOM 215 ND1 HIS A 365 61.066 10.369 74.484 1.00 9.68 N ATOM 216 CD2 HIS A 365 61.691 11.428 72.679 1.00 9.18 C ATOM 217 CE1 HIS A 365 60.095 11.217 74.176 1.00 9.44 C ATOM 218 NE2 HIS A 365 60.441 11.858 73.072 1.00 9.29 N ATOM 219 H HIS A 365 64.974 11.798 74.043 1.00 0.00 H ATOM 220 N ALA A 366 66.585 9.554 75.079 1.00 9.44 N ATOM 221 CA ALA A 366 67.788 8.732 74.944 1.00 9.48 C ATOM 222 C ALA A 366 67.889 7.551 75.915 1.00 9.64 C ATOM 223 O ALA A 366 68.505 6.517 75.586 1.00 9.87 O ATOM 224 CB ALA A 366 69.015 9.619 75.069 1.00 9.67 C ATOM 225 H ALA A 366 66.677 10.567 75.294 1.00 0.00 H ATOM 226 N ALA A 367 67.308 7.683 77.114 1.00 9.75 N ATOM 227 CA ALA A 367 67.413 6.615 78.119 1.00 9.99 C ATOM 228 C ALA A 367 66.846 5.276 77.640 1.00 9.73 C ATOM 229 O ALA A 367 67.329 4.227 78.056 1.00 10.27 O ATOM 230 CB ALA A 367 66.739 7.038 79.414 1.00 10.28 C ATOM 231 H ALA A 367 66.777 8.549 77.337 1.00 0.00 H ATOM 232 N TYR A 368 65.800 5.312 76.799 1.00 9.33 N ATOM 233 CA TYR A 368 65.206 4.116 76.226 1.00 8.99 C ATOM 234 C TYR A 368 65.376 3.978 74.699 1.00 8.71 C ATOM 235 O TYR A 368 65.168 2.882 74.162 1.00 8.87 O ATOM 236 CB TYR A 368 63.727 3.997 76.619 1.00 8.99 C ATOM 237 CG TYR A 368 62.965 5.307 76.652 1.00 8.94 C ATOM 238 CD1 TYR A 368 62.221 5.735 75.559 1.00 8.78 C ATOM 239 CD2 TYR A 368 62.950 6.088 77.791 1.00 9.18 C ATOM 240 CE1 TYR A 368 61.516 6.917 75.593 1.00 8.80 C ATOM 241 CE2 TYR A 368 62.264 7.289 77.830 1.00 9.24 C ATOM 242 CZ TYR A 368 61.527 7.693 76.721 1.00 9.07 C ATOM 243 OH TYR A 368 60.812 8.869 76.718 1.00 9.28 O ATOM 244 HH TYR A 368 60.359 8.976 75.844 1.00 0.00 H ATOM 245 H TYR A 368 65.397 6.237 76.546 1.00 0.00 H ATOM 246 N ALA A 369 65.742 5.063 74.006 1.00 8.57 N ATOM 247 CA ALA A 369 65.890 5.026 72.538 1.00 8.40 C ATOM 248 C ALA A 369 67.253 4.475 72.097 1.00 8.43 C ATOM 249 O ALA A 369 67.387 3.975 70.983 1.00 8.22 O ATOM 250 CB ALA A 369 65.642 6.400 71.926 1.00 8.27 C ATOM 251 H ALA A 369 65.926 5.952 74.513 1.00 0.00 H ATOM 252 N TRP A 370 68.253 4.520 72.977 1.00 9.12 N ATOM 253 CA TRP A 370 69.640 4.257 72.537 1.00 9.46 C ATOM 254 C TRP A 370 69.898 2.886 71.867 1.00 9.42 C ATOM 255 O TRP A 370 70.718 2.801 70.935 1.00 9.51 O ATOM 256 CB TRP A 370 70.671 4.540 73.659 1.00 9.90 C ATOM 257 CG TRP A 370 70.662 3.592 74.775 1.00 10.37 C ATOM 258 CD1 TRP A 370 70.030 3.754 75.972 1.00 10.59 C ATOM 259 CD2 TRP A 370 71.285 2.292 74.828 1.00 10.81 C ATOM 260 NE1 TRP A 370 70.234 2.658 76.771 1.00 10.98 N ATOM 261 CE2 TRP A 370 70.989 1.743 76.093 1.00 11.12 C ATOM 262 CE3 TRP A 370 72.051 1.538 73.930 1.00 10.88 C ATOM 263 CZ2 TRP A 370 71.423 0.468 76.478 1.00 11.37 C ATOM 264 CZ3 TRP A 370 72.489 0.294 74.321 1.00 11.24 C ATOM 265 CH2 TRP A 370 72.183 -0.226 75.587 1.00 11.45 C ATOM 266 HE1 TRP A 370 69.872 2.542 77.739 1.00 0.00 H ATOM 267 H TRP A 370 68.058 4.740 73.974 1.00 0.00 H ATOM 268 N PRO A 371 69.196 1.811 72.293 1.00 9.35 N ATOM 269 CA PRO A 371 69.474 0.557 71.575 1.00 9.22 C ATOM 270 C PRO A 371 69.056 0.556 70.092 1.00 9.10 C ATOM 271 O PRO A 371 69.459 -0.325 69.348 1.00 9.18 O ATOM 272 CB PRO A 371 68.623 -0.479 72.323 1.00 9.34 C ATOM 273 CG PRO A 371 68.352 0.117 73.660 1.00 9.44 C ATOM 274 CD PRO A 371 68.286 1.594 73.430 1.00 9.39 C ATOM 275 N PHE A 372 68.216 1.513 69.705 1.00 8.86 N ATOM 276 CA PHE A 372 67.640 1.591 68.358 1.00 8.66 C ATOM 277 C PHE A 372 68.357 2.591 67.435 1.00 8.63 C ATOM 278 O PHE A 372 67.940 2.817 66.294 1.00 8.46 O ATOM 279 CB PHE A 372 66.146 1.921 68.522 1.00 8.51 C ATOM 280 CG PHE A 372 65.474 0.991 69.496 1.00 8.51 C ATOM 281 CD1 PHE A 372 65.248 1.374 70.803 1.00 8.61 C ATOM 282 CD2 PHE A 372 65.176 -0.319 69.120 1.00 8.54 C ATOM 283 CE1 PHE A 372 64.700 0.493 71.717 1.00 8.72 C ATOM 284 CE2 PHE A 372 64.625 -1.209 70.028 1.00 8.72 C ATOM 285 CZ PHE A 372 64.392 -0.798 71.333 1.00 8.60 C ATOM 286 H PHE A 372 67.954 2.245 70.395 1.00 0.00 H ATOM 287 N TYR A 373 69.441 3.185 67.923 1.00 8.81 N ATOM 288 CA TYR A 373 70.105 4.237 67.180 1.00 9.05 C ATOM 289 C TYR A 373 70.852 3.719 65.976 1.00 9.47 C ATOM 290 O TYR A 373 70.933 4.418 64.955 1.00 9.36 O ATOM 291 CB TYR A 373 71.115 4.964 68.085 1.00 9.06 C ATOM 292 CG TYR A 373 70.543 5.955 69.099 1.00 8.97 C ATOM 293 CD1 TYR A 373 69.233 6.432 69.035 1.00 8.85 C ATOM 294 CD2 TYR A 373 71.362 6.463 70.091 1.00 9.27 C ATOM 295 CE1 TYR A 373 68.763 7.355 69.960 1.00 8.89 C ATOM 296 CE2 TYR A 373 70.905 7.390 71.007 1.00 9.26 C ATOM 297 CZ TYR A 373 69.607 7.842 70.940 1.00 9.13 C ATOM 298 OH TYR A 373 69.157 8.766 71.869 1.00 9.31 O ATOM 299 HH TYR A 373 68.210 8.985 71.683 1.00 0.00 H ATOM 300 H TYR A 373 69.817 2.892 68.847 1.00 0.00 H ATOM 301 N LYS A 374 71.433 2.519 66.100 1.00 10.05 N ATOM 302 CA LYS A 374 72.287 1.957 65.062 1.00 10.64 C ATOM 303 C LYS A 374 71.919 0.501 64.744 1.00 10.32 C ATOM 304 O LYS A 374 71.263 -0.168 65.547 1.00 9.75 O ATOM 305 CB LYS A 374 73.766 2.043 65.516 1.00 11.69 C ATOM 306 CG LYS A 374 74.309 3.465 65.582 1.00 13.04 C ATOM 307 CD LYS A 374 74.409 4.103 64.208 1.00 14.11 C ATOM 308 CE LYS A 374 75.053 5.502 64.164 1.00 15.71 C ATOM 309 NZ LYS A 374 75.303 6.266 65.427 1.00 16.78 N ATOM 310 HZ1 LYS A 374 74.401 6.426 65.919 1.00 0.00 H ATOM 311 HZ2 LYS A 374 75.941 5.720 66.040 1.00 0.00 H ATOM 312 HZ3 LYS A 374 75.740 7.181 65.196 1.00 0.00 H ATOM 313 H LYS A 374 71.269 1.969 66.967 1.00 0.00 H ATOM 314 N PRO A 375 72.362 -0.004 63.583 1.00 10.20 N ATOM 315 CA PRO A 375 72.075 -1.395 63.274 1.00 10.37 C ATOM 316 C PRO A 375 72.584 -2.317 64.373 1.00 10.73 C ATOM 317 O PRO A 375 73.666 -2.072 64.959 1.00 10.89 O ATOM 318 CB PRO A 375 72.805 -1.623 61.952 1.00 10.50 C ATOM 319 CG PRO A 375 72.991 -0.270 61.359 1.00 10.55 C ATOM 320 CD PRO A 375 73.126 0.662 62.512 1.00 10.41 C ATOM 321 N VAL A 376 71.813 -3.362 64.660 1.00 10.96 N ATOM 322 CA VAL A 376 72.234 -4.387 65.594 1.00 11.42 C ATOM 323 C VAL A 376 73.525 -5.009 65.075 1.00 11.81 C ATOM 324 O VAL A 376 73.584 -5.407 63.910 1.00 11.74 O ATOM 325 CB VAL A 376 71.151 -5.474 65.754 1.00 11.42 C ATOM 326 CG1 VAL A 376 71.713 -6.701 66.455 1.00 11.73 C ATOM 327 CG2 VAL A 376 69.991 -4.923 66.550 1.00 11.23 C ATOM 328 H VAL A 376 70.883 -3.446 64.202 1.00 0.00 H ATOM 329 N ASP A 377 74.558 -5.039 65.923 1.00 12.58 N ATOM 330 CA ASP A 377 75.810 -5.715 65.593 1.00 13.41 C ATOM 331 C ASP A 377 75.780 -7.048 66.316 1.00 13.87 C ATOM 332 O ASP A 377 76.115 -7.144 67.506 1.00 13.05 O ATOM 333 CB ASP A 377 77.028 -4.885 66.009 1.00 14.10 C ATOM 334 CG ASP A 377 78.338 -5.518 65.577 1.00 14.95 C ATOM 335 OD1 ASP A 377 78.375 -6.726 65.260 1.00 14.88 O ATOM 336 OD2 ASP A 377 79.348 -4.790 65.572 1.00 15.60 O ATOM 337 H ASP A 377 74.467 -4.567 66.845 1.00 0.00 H ATOM 338 N ALA A 378 75.301 -8.062 65.599 1.00 14.94 N ATOM 339 CA ALA A 378 75.038 -9.364 66.190 1.00 15.82 C ATOM 340 C ALA A 378 76.296 -10.003 66.762 1.00 16.90 C ATOM 341 O ALA A 378 76.286 -10.485 67.898 1.00 16.90 O ATOM 342 CB ALA A 378 74.380 -10.293 65.178 1.00 16.05 C ATOM 343 H ALA A 378 75.109 -7.919 64.587 1.00 0.00 H ATOM 344 N SER A 379 77.367 -9.978 65.983 1.00 19.02 N ATOM 345 CA SER A 379 78.657 -10.504 66.430 1.00 21.10 C ATOM 346 C SER A 379 79.110 -9.850 67.726 1.00 21.27 C ATOM 347 O SER A 379 79.473 -10.531 68.698 1.00 21.08 O ATOM 348 CB SER A 379 79.743 -10.264 65.376 1.00 22.90 C ATOM 349 OG SER A 379 79.448 -10.931 64.172 1.00 25.32 O ATOM 350 HG SER A 379 78.586 -10.600 63.816 1.00 0.00 H ATOM 351 H SER A 379 77.289 -9.574 65.028 1.00 0.00 H ATOM 352 N ALA A 380 79.096 -8.519 67.738 1.00 21.03 N ATOM 353 CA ALA A 380 79.569 -7.767 68.894 1.00 21.02 C ATOM 354 C ALA A 380 78.799 -8.128 70.153 1.00 20.16 C ATOM 355 O ALA A 380 79.355 -8.085 71.234 1.00 20.61 O ATOM 356 CB ALA A 380 79.491 -6.267 68.636 1.00 20.95 C ATOM 357 H ALA A 380 78.741 -8.005 66.906 1.00 0.00 H ATOM 358 N LEU A 381 77.521 -8.475 70.000 1.00 18.63 N ATOM 359 CA LEU A 381 76.656 -8.811 71.120 1.00 18.44 C ATOM 360 C LEU A 381 76.650 -10.318 71.432 1.00 17.20 C ATOM 361 O LEU A 381 76.007 -10.742 72.382 1.00 18.60 O ATOM 362 CB LEU A 381 75.225 -8.313 70.834 1.00 18.88 C ATOM 363 CG LEU A 381 75.091 -6.786 70.680 1.00 19.82 C ATOM 364 CD1 LEU A 381 73.769 -6.383 70.039 1.00 20.27 C ATOM 365 CD2 LEU A 381 75.227 -6.124 72.037 1.00 20.48 C ATOM 366 H LEU A 381 77.126 -8.507 69.039 1.00 0.00 H ATOM 367 N GLY A 382 77.367 -11.112 70.648 1.00 16.02 N ATOM 368 CA GLY A 382 77.329 -12.571 70.785 1.00 15.74 C ATOM 369 C GLY A 382 75.967 -13.174 70.423 1.00 14.76 C ATOM 370 O GLY A 382 75.653 -14.307 70.804 1.00 15.19 O ATOM 371 H GLY A 382 77.972 -10.688 69.916 1.00 0.00 H ATOM 372 N ALA A 383 75.159 -12.430 69.676 1.00 13.36 N ATOM 373 CA ALA A 383 73.800 -12.854 69.322 1.00 12.44 C ATOM 374 C ALA A 383 73.839 -13.571 67.974 1.00 11.75 C ATOM 375 O ALA A 383 73.338 -13.082 66.968 1.00 11.12 O ATOM 376 CB ALA A 383 72.871 -11.644 69.275 1.00 12.13 C ATOM 377 H ALA A 383 75.503 -11.512 69.329 1.00 0.00 H ATOM 378 N HIS A 384 74.448 -14.754 67.948 1.00 11.65 N ATOM 379 CA HIS A 384 74.746 -15.414 66.656 1.00 11.53 C ATOM 380 C HIS A 384 73.542 -15.970 65.927 1.00 10.89 C ATOM 381 O HIS A 384 73.666 -16.393 64.767 1.00 11.10 O ATOM 382 CB HIS A 384 75.788 -16.511 66.863 1.00 12.04 C ATOM 383 CG HIS A 384 77.064 -15.981 67.412 1.00 12.66 C ATOM 384 ND1 HIS A 384 77.818 -15.052 66.732 1.00 13.23 N ATOM 385 CD2 HIS A 384 77.656 -16.145 68.614 1.00 12.91 C ATOM 386 CE1 HIS A 384 78.852 -14.698 67.472 1.00 13.46 C ATOM 387 NE2 HIS A 384 78.788 -15.361 68.613 1.00 13.39 N ATOM 388 H HIS A 384 74.716 -15.217 68.840 1.00 0.00 H ATOM 389 N ASP A 385 72.379 -15.926 66.581 1.00 10.06 N ATOM 390 CA ASP A 385 71.111 -16.318 65.977 1.00 9.33 C ATOM 391 C ASP A 385 70.273 -15.128 65.490 1.00 8.83 C ATOM 392 O ASP A 385 69.191 -15.332 64.973 1.00 8.73 O ATOM 393 CB ASP A 385 70.266 -17.167 66.962 1.00 9.11 C ATOM 394 CG ASP A 385 70.076 -16.507 68.324 1.00 9.02 C ATOM 395 OD1 ASP A 385 70.641 -15.424 68.581 1.00 9.04 O ATOM 396 OD2 ASP A 385 69.340 -17.059 69.157 1.00 9.02 O ATOM 397 H ASP A 385 72.377 -15.597 67.567 1.00 0.00 H ATOM 398 N TYR A 386 70.776 -13.906 65.644 1.00 8.68 N ATOM 399 CA TYR A 386 69.959 -12.720 65.393 1.00 8.44 C ATOM 400 C TYR A 386 69.449 -12.686 63.950 1.00 8.48 C ATOM 401 O TYR A 386 68.281 -12.441 63.703 1.00 8.35 O ATOM 402 CB TYR A 386 70.740 -11.444 65.705 1.00 8.41 C ATOM 403 CG TYR A 386 69.832 -10.240 65.617 1.00 8.12 C ATOM 404 CD1 TYR A 386 68.978 -9.933 66.654 1.00 8.07 C ATOM 405 CD2 TYR A 386 69.815 -9.448 64.469 1.00 8.12 C ATOM 406 CE1 TYR A 386 68.138 -8.830 66.576 1.00 8.01 C ATOM 407 CE2 TYR A 386 68.975 -8.346 64.369 1.00 8.00 C ATOM 408 CZ TYR A 386 68.138 -8.056 65.420 1.00 7.96 C ATOM 409 OH TYR A 386 67.278 -6.995 65.303 1.00 7.96 O ATOM 410 HH TYR A 386 66.744 -6.911 66.132 1.00 0.00 H ATOM 411 H TYR A 386 71.764 -13.793 65.947 1.00 0.00 H ATOM 412 N HIS A 387 70.360 -12.889 62.997 1.00 8.77 N ATOM 413 CA HIS A 387 70.034 -12.789 61.569 1.00 8.90 C ATOM 414 C HIS A 387 69.335 -14.030 61.011 1.00 8.96 C ATOM 415 O HIS A 387 68.873 -14.028 59.869 1.00 9.27 O ATOM 416 CB HIS A 387 71.302 -12.426 60.771 1.00 9.15 C ATOM 417 CG HIS A 387 71.803 -11.043 61.069 1.00 9.17 C ATOM 418 ND1 HIS A 387 71.133 -9.911 60.649 1.00 9.08 N ATOM 419 CD2 HIS A 387 72.838 -10.605 61.823 1.00 9.30 C ATOM 420 CE1 HIS A 387 71.756 -8.836 61.102 1.00 9.08 C ATOM 421 NE2 HIS A 387 72.778 -9.230 61.840 1.00 9.29 N ATOM 422 H HIS A 387 71.334 -13.126 63.275 1.00 0.00 H ATOM 423 N ASP A 388 69.214 -15.070 61.825 1.00 9.01 N ATOM 424 CA ASP A 388 68.407 -16.221 61.467 1.00 9.11 C ATOM 425 C ASP A 388 66.959 -15.972 61.882 1.00 9.20 C ATOM 426 O ASP A 388 66.022 -16.476 61.244 1.00 9.58 O ATOM 427 CB ASP A 388 68.942 -17.467 62.152 1.00 9.26 C ATOM 428 CG ASP A 388 70.382 -17.739 61.778 1.00 9.48 C ATOM 429 OD1 ASP A 388 70.615 -18.163 60.622 1.00 9.66 O ATOM 430 OD2 ASP A 388 71.278 -17.518 62.610 1.00 9.68 O ATOM 431 H ASP A 388 69.708 -15.060 62.740 1.00 0.00 H ATOM 432 N ILE A 389 66.796 -15.203 62.947 1.00 9.13 N ATOM 433 CA ILE A 389 65.464 -14.838 63.480 1.00 9.13 C ATOM 434 C ILE A 389 64.904 -13.581 62.826 1.00 9.32 C ATOM 435 O ILE A 389 63.680 -13.506 62.514 1.00 9.38 O ATOM 436 CB ILE A 389 65.536 -14.721 65.027 1.00 9.03 C ATOM 437 CG1 ILE A 389 65.851 -16.113 65.614 1.00 9.21 C ATOM 438 CG2 ILE A 389 64.249 -14.150 65.600 1.00 8.89 C ATOM 439 CD1 ILE A 389 66.183 -16.158 67.083 1.00 9.19 C ATOM 440 H ILE A 389 67.641 -14.839 63.431 1.00 0.00 H ATOM 441 N ILE A 390 65.782 -12.607 62.609 1.00 9.72 N ATOM 442 CA ILE A 390 65.420 -11.307 62.045 1.00 10.21 C ATOM 443 C ILE A 390 65.940 -11.245 60.616 1.00 11.12 C ATOM 444 O ILE A 390 67.135 -11.102 60.392 1.00 11.83 O ATOM 445 CB ILE A 390 66.010 -10.152 62.902 1.00 9.87 C ATOM 446 CG1 ILE A 390 65.469 -10.203 64.337 1.00 9.66 C ATOM 447 CG2 ILE A 390 65.761 -8.795 62.237 1.00 9.78 C ATOM 448 CD1 ILE A 390 63.945 -10.295 64.474 1.00 9.53 C ATOM 449 H ILE A 390 66.778 -12.778 62.853 1.00 0.00 H ATOM 450 N LYS A 391 65.031 -11.339 59.652 1.00 12.63 N ATOM 451 CA LYS A 391 65.400 -11.334 58.234 1.00 14.03 C ATOM 452 C LYS A 391 65.406 -9.936 57.601 1.00 13.31 C ATOM 453 O LYS A 391 66.010 -9.742 56.526 1.00 13.21 O ATOM 454 CB LYS A 391 64.510 -12.316 57.470 1.00 16.03 C ATOM 455 CG LYS A 391 64.584 -13.714 58.079 1.00 18.14 C ATOM 456 CD LYS A 391 64.289 -14.840 57.114 1.00 20.65 C ATOM 457 CE LYS A 391 64.424 -16.179 57.824 1.00 22.52 C ATOM 458 NZ LYS A 391 64.368 -17.350 56.900 1.00 24.20 N ATOM 459 HZ1 LYS A 391 63.456 -17.352 56.400 1.00 0.00 H ATOM 460 HZ2 LYS A 391 65.143 -17.283 56.210 1.00 0.00 H ATOM 461 HZ3 LYS A 391 64.466 -18.228 57.449 1.00 0.00 H ATOM 462 H LYS A 391 64.027 -11.419 59.912 1.00 0.00 H ATOM 463 N HIS A 392 64.784 -8.965 58.283 1.00 12.60 N ATOM 464 CA HIS A 392 64.727 -7.579 57.832 1.00 12.86 C ATOM 465 C HIS A 392 65.092 -6.622 58.949 1.00 11.52 C ATOM 466 O HIS A 392 64.237 -6.004 59.552 1.00 10.55 O ATOM 467 CB HIS A 392 63.331 -7.249 57.275 1.00 14.21 C ATOM 468 CG HIS A 392 62.969 -8.102 56.108 1.00 16.23 C ATOM 469 ND1 HIS A 392 62.195 -9.234 56.231 1.00 18.18 N ATOM 470 CD2 HIS A 392 63.343 -8.038 54.810 1.00 17.66 C ATOM 471 CE1 HIS A 392 62.089 -9.822 55.051 1.00 18.51 C ATOM 472 NE2 HIS A 392 62.767 -9.109 54.172 1.00 18.63 N ATOM 473 H HIS A 392 64.318 -9.212 59.179 1.00 0.00 H ATOM 474 N PRO A 393 66.387 -6.510 59.238 1.00 10.38 N ATOM 475 CA PRO A 393 66.797 -5.576 60.280 1.00 9.77 C ATOM 476 C PRO A 393 66.453 -4.137 59.957 1.00 9.08 C ATOM 477 O PRO A 393 66.407 -3.752 58.776 1.00 9.00 O ATOM 478 CB PRO A 393 68.326 -5.736 60.330 1.00 10.07 C ATOM 479 CG PRO A 393 68.609 -7.022 59.660 1.00 10.49 C ATOM 480 CD PRO A 393 67.539 -7.209 58.635 1.00 10.67 C ATOM 481 N MET A 394 66.221 -3.361 61.010 1.00 8.40 N ATOM 482 CA MET A 394 65.928 -1.932 60.878 1.00 7.99 C ATOM 483 C MET A 394 66.321 -1.201 62.134 1.00 7.66 C ATOM 484 O MET A 394 66.294 -1.763 63.240 1.00 7.48 O ATOM 485 CB MET A 394 64.434 -1.706 60.563 1.00 7.85 C ATOM 486 CG MET A 394 64.062 -0.268 60.219 1.00 7.95 C ATOM 487 SD MET A 394 64.986 0.485 58.866 1.00 8.25 S ATOM 488 CE MET A 394 64.624 -0.580 57.506 1.00 8.30 C ATOM 489 H MET A 394 66.248 -3.782 61.960 1.00 0.00 H ATOM 490 N ASP A 395 66.739 0.057 61.958 1.00 7.49 N ATOM 491 CA ASP A 395 67.200 0.876 63.065 1.00 7.41 C ATOM 492 C ASP A 395 67.038 2.354 62.679 1.00 7.22 C ATOM 493 O ASP A 395 66.862 2.668 61.498 1.00 7.11 O ATOM 494 CB ASP A 395 68.680 0.582 63.347 1.00 7.63 C ATOM 495 CG ASP A 395 69.564 1.117 62.273 1.00 7.80 C ATOM 496 OD1 ASP A 395 69.638 0.474 61.216 1.00 7.88 O ATOM 497 OD2 ASP A 395 70.151 2.215 62.477 1.00 8.18 O ATOM 498 H ASP A 395 66.734 0.461 61.000 1.00 0.00 H ATOM 499 N LEU A 396 67.111 3.249 63.659 1.00 7.24 N ATOM 500 CA LEU A 396 66.850 4.667 63.406 1.00 7.36 C ATOM 501 C LEU A 396 67.870 5.371 62.486 1.00 7.53 C ATOM 502 O LEU A 396 67.518 6.301 61.767 1.00 7.28 O ATOM 503 CB LEU A 396 66.720 5.424 64.714 1.00 7.51 C ATOM 504 CG LEU A 396 65.515 5.054 65.580 1.00 7.60 C ATOM 505 CD1 LEU A 396 65.629 5.769 66.918 1.00 7.80 C ATOM 506 CD2 LEU A 396 64.195 5.371 64.880 1.00 7.67 C ATOM 507 H LEU A 396 67.357 2.937 64.620 1.00 0.00 H ATOM 508 N SER A 397 69.122 4.924 62.484 1.00 7.93 N ATOM 509 CA SER A 397 70.104 5.493 61.540 1.00 8.40 C ATOM 510 C SER A 397 69.755 5.153 60.104 1.00 8.34 C ATOM 511 O SER A 397 69.995 5.960 59.218 1.00 8.36 O ATOM 512 CB SER A 397 71.557 5.074 61.840 1.00 9.00 C ATOM 513 OG SER A 397 71.863 3.766 61.380 1.00 9.96 O ATOM 514 HG SER A 397 71.264 3.113 61.822 1.00 0.00 H ATOM 515 H SER A 397 69.409 4.175 63.146 1.00 0.00 H ATOM 516 N THR A 398 69.221 3.948 59.878 1.00 8.33 N ATOM 517 CA THR A 398 68.743 3.558 58.545 1.00 8.53 C ATOM 518 C THR A 398 67.520 4.371 58.131 1.00 8.46 C ATOM 519 O THR A 398 67.420 4.873 56.994 1.00 8.42 O ATOM 520 CB THR A 398 68.480 2.046 58.487 1.00 8.71 C ATOM 521 OG1 THR A 398 69.717 1.364 58.775 1.00 8.95 O ATOM 522 CG2 THR A 398 67.958 1.648 57.137 1.00 8.85 C ATOM 523 HG1 THR A 398 70.397 1.618 58.102 1.00 0.00 H ATOM 524 H THR A 398 69.142 3.272 60.664 1.00 0.00 H ATOM 525 N VAL A 399 66.595 4.543 59.063 1.00 8.41 N ATOM 526 CA VAL A 399 65.427 5.402 58.796 1.00 8.44 C ATOM 527 C VAL A 399 65.878 6.827 58.449 1.00 8.82 C ATOM 528 O VAL A 399 65.379 7.447 57.498 1.00 8.87 O ATOM 529 CB VAL A 399 64.406 5.373 59.963 1.00 8.23 C ATOM 530 CG1 VAL A 399 63.233 6.316 59.706 1.00 8.10 C ATOM 531 CG2 VAL A 399 63.898 3.956 60.210 1.00 8.14 C ATOM 532 H VAL A 399 66.693 4.071 59.985 1.00 0.00 H ATOM 533 N LYS A 400 66.862 7.332 59.190 1.00 9.48 N ATOM 534 CA LYS A 400 67.398 8.667 58.945 1.00 10.47 C ATOM 535 C LYS A 400 68.044 8.784 57.576 1.00 10.66 C ATOM 536 O LYS A 400 67.782 9.735 56.867 1.00 10.37 O ATOM 537 CB LYS A 400 68.394 9.025 60.022 1.00 11.57 C ATOM 538 CG LYS A 400 68.934 10.447 59.966 1.00 13.44 C ATOM 539 CD LYS A 400 70.014 10.549 61.047 1.00 15.17 C ATOM 540 CE LYS A 400 70.835 11.827 60.978 1.00 17.13 C ATOM 541 NZ LYS A 400 69.933 12.995 61.088 1.00 18.29 N ATOM 542 HZ1 LYS A 400 69.248 12.978 60.305 1.00 0.00 H ATOM 543 HZ2 LYS A 400 69.425 12.955 61.995 1.00 0.00 H ATOM 544 HZ3 LYS A 400 70.493 13.870 61.041 1.00 0.00 H ATOM 545 H LYS A 400 67.259 6.761 59.963 1.00 0.00 H ATOM 546 N ARG A 401 68.877 7.817 57.213 1.00 11.32 N ATOM 547 CA ARG A 401 69.484 7.773 55.873 1.00 12.38 C ATOM 548 C ARG A 401 68.412 7.785 54.777 1.00 11.49 C ATOM 549 O ARG A 401 68.513 8.536 53.789 1.00 10.97 O ATOM 550 CB ARG A 401 70.363 6.531 55.697 1.00 14.48 C ATOM 551 CG ARG A 401 70.782 6.352 54.238 1.00 17.30 C ATOM 552 CD ARG A 401 71.674 5.170 53.973 1.00 20.23 C ATOM 553 NE ARG A 401 71.149 3.872 54.386 1.00 22.52 N ATOM 554 CZ ARG A 401 70.246 3.130 53.745 1.00 24.49 C ATOM 555 NH1 ARG A 401 69.645 3.531 52.621 1.00 27.02 N ATOM 556 NH2 ARG A 401 69.949 1.941 54.242 1.00 25.56 N ATOM 557 HE ARG A 401 71.520 3.484 55.277 1.00 0.00 H ATOM 558 HH12 ARG A 401 68.946 2.916 52.157 1.00 0.00 H ATOM 559 HH11 ARG A 401 69.876 4.458 52.210 1.00 0.00 H ATOM 560 HH22 ARG A 401 69.248 1.338 53.765 1.00 0.00 H ATOM 561 HH21 ARG A 401 70.416 1.609 55.110 1.00 0.00 H ATOM 562 H ARG A 401 69.108 7.068 57.896 1.00 0.00 H ATOM 563 N LYS A 402 67.383 6.952 54.953 1.00 10.66 N ATOM 564 CA LYS A 402 66.330 6.871 53.962 1.00 10.51 C ATOM 565 C LYS A 402 65.571 8.195 53.878 1.00 10.82 C ATOM 566 O LYS A 402 65.255 8.651 52.798 1.00 10.98 O ATOM 567 CB LYS A 402 65.391 5.687 54.236 1.00 10.02 C ATOM 568 CG LYS A 402 66.081 4.353 53.952 1.00 10.08 C ATOM 569 CD LYS A 402 65.273 3.130 54.327 1.00 9.98 C ATOM 570 CE LYS A 402 64.060 2.974 53.430 1.00 10.15 C ATOM 571 NZ LYS A 402 63.465 1.610 53.527 1.00 10.19 N ATOM 572 HZ1 LYS A 402 64.173 0.903 53.243 1.00 0.00 H ATOM 573 HZ2 LYS A 402 63.169 1.431 54.508 1.00 0.00 H ATOM 574 HZ3 LYS A 402 62.639 1.548 52.898 1.00 0.00 H ATOM 575 H LYS A 402 67.338 6.359 55.806 1.00 0.00 H ATOM 576 N MET A 403 65.299 8.819 55.010 1.00 10.73 N ATOM 577 CA MET A 403 64.663 10.132 54.966 1.00 11.37 C ATOM 578 C MET A 403 65.536 11.190 54.285 1.00 11.93 C ATOM 579 O MET A 403 65.031 11.960 53.455 1.00 11.86 O ATOM 580 CB MET A 403 64.315 10.592 56.370 1.00 11.60 C ATOM 581 CG MET A 403 63.505 11.888 56.398 1.00 11.71 C ATOM 582 SD MET A 403 61.839 11.785 55.727 1.00 12.53 S ATOM 583 CE MET A 403 60.988 10.930 57.033 1.00 12.43 C ATOM 584 H MET A 403 65.535 8.380 55.923 1.00 0.00 H ATOM 585 N GLU A 404 66.818 11.238 54.656 1.00 12.84 N ATOM 586 CA GLU A 404 67.773 12.207 54.093 1.00 14.28 C ATOM 587 C GLU A 404 67.914 12.035 52.590 1.00 14.46 C ATOM 588 O GLU A 404 68.068 13.028 51.866 1.00 14.11 O ATOM 589 CB GLU A 404 69.158 12.044 54.706 1.00 15.99 C ATOM 590 CG GLU A 404 69.236 12.515 56.135 1.00 17.85 C ATOM 591 CD GLU A 404 70.544 12.151 56.823 1.00 20.67 C ATOM 592 OE1 GLU A 404 71.361 11.341 56.292 1.00 23.56 O ATOM 593 OE2 GLU A 404 70.753 12.687 57.932 1.00 24.11 O ATOM 594 H GLU A 404 67.156 10.563 55.372 1.00 0.00 H ATOM 595 N ASN A 405 67.881 10.775 52.142 1.00 14.29 N ATOM 596 CA ASN A 405 68.016 10.445 50.720 1.00 15.41 C ATOM 597 C ASN A 405 66.711 10.565 49.949 1.00 14.93 C ATOM 598 O ASN A 405 66.677 10.245 48.769 1.00 14.30 O ATOM 599 CB ASN A 405 68.525 9.009 50.542 1.00 16.74 C ATOM 600 CG ASN A 405 69.930 8.800 51.051 1.00 18.56 C ATOM 601 OD1 ASN A 405 70.386 7.660 51.185 1.00 21.65 O ATOM 602 ND2 ASN A 405 70.624 9.872 51.316 1.00 19.23 N ATOM 603 HD22 ASN A 405 70.198 10.812 51.188 1.00 0.00 H ATOM 604 HD21 ASN A 405 71.603 9.787 51.655 1.00 0.00 H ATOM 605 H ASN A 405 67.755 10.002 52.827 1.00 0.00 H ATOM 606 N ARG A 406 65.645 11.014 50.617 1.00 14.82 N ATOM 607 CA ARG A 406 64.319 11.125 50.015 1.00 15.27 C ATOM 608 C ARG A 406 63.818 9.768 49.501 1.00 14.88 C ATOM 609 O ARG A 406 63.095 9.684 48.495 1.00 15.15 O ATOM 610 CB ARG A 406 64.309 12.190 48.903 1.00 16.23 C ATOM 611 CG ARG A 406 64.311 13.627 49.401 1.00 17.12 C ATOM 612 CD ARG A 406 63.754 14.526 48.300 1.00 18.10 C ATOM 613 NE ARG A 406 63.108 15.728 48.815 1.00 19.35 N ATOM 614 CZ ARG A 406 61.971 16.235 48.347 1.00 20.53 C ATOM 615 NH1 ARG A 406 61.314 15.633 47.370 1.00 20.99 N ATOM 616 NH2 ARG A 406 61.477 17.345 48.875 1.00 21.17 N ATOM 617 HE ARG A 406 63.569 16.224 49.604 1.00 0.00 H ATOM 618 HH12 ARG A 406 60.426 16.040 47.013 1.00 0.00 H ATOM 619 HH11 ARG A 406 61.685 14.753 46.959 1.00 0.00 H ATOM 620 HH22 ARG A 406 60.588 17.743 48.511 1.00 0.00 H ATOM 621 HH21 ARG A 406 61.978 17.818 49.654 1.00 0.00 H ATOM 622 H ARG A 406 65.765 11.297 51.610 1.00 0.00 H ATOM 623 N ASP A 407 64.185 8.705 50.217 1.00 13.90 N ATOM 624 CA ASP A 407 63.779 7.344 49.862 1.00 13.64 C ATOM 625 C ASP A 407 62.275 7.173 50.138 1.00 12.79 C ATOM 626 O ASP A 407 61.554 6.621 49.308 1.00 13.14 O ATOM 627 CB ASP A 407 64.647 6.355 50.645 1.00 14.12 C ATOM 628 CG ASP A 407 64.667 4.969 50.060 1.00 15.25 C ATOM 629 OD1 ASP A 407 65.695 4.298 50.202 1.00 15.37 O ATOM 630 OD2 ASP A 407 63.664 4.519 49.473 1.00 17.01 O ATOM 631 H ASP A 407 64.781 8.848 51.057 1.00 0.00 H ATOM 632 N TYR A 408 61.795 7.678 51.273 1.00 11.84 N ATOM 633 CA TYR A 408 60.382 7.529 51.652 1.00 11.40 C ATOM 634 C TYR A 408 59.499 8.384 50.789 1.00 12.14 C ATOM 635 O TYR A 408 59.707 9.598 50.680 1.00 12.45 O ATOM 636 CB TYR A 408 60.149 7.890 53.130 1.00 10.55 C ATOM 637 CG TYR A 408 60.867 6.979 54.093 1.00 9.92 C ATOM 638 CD1 TYR A 408 60.620 5.621 54.091 1.00 9.68 C ATOM 639 CD2 TYR A 408 61.779 7.482 55.019 1.00 9.63 C ATOM 640 CE1 TYR A 408 61.266 4.778 54.962 1.00 9.47 C ATOM 641 CE2 TYR A 408 62.441 6.636 55.901 1.00 9.32 C ATOM 642 CZ TYR A 408 62.176 5.286 55.873 1.00 9.25 C ATOM 643 OH TYR A 408 62.788 4.424 56.748 1.00 9.16 O ATOM 644 HH TYR A 408 62.473 3.502 56.575 1.00 0.00 H ATOM 645 H TYR A 408 62.437 8.192 51.909 1.00 0.00 H ATOM 646 N ARG A 409 58.504 7.762 50.173 1.00 12.79 N ATOM 647 CA ARG A 409 57.609 8.487 49.281 1.00 13.67 C ATOM 648 C ARG A 409 56.333 8.914 49.994 1.00 12.96 C ATOM 649 O ARG A 409 55.644 9.797 49.519 1.00 13.06 O ATOM 650 CB ARG A 409 57.307 7.668 48.030 1.00 15.16 C ATOM 651 CG ARG A 409 58.518 7.515 47.116 1.00 16.80 C ATOM 652 CD ARG A 409 58.130 7.086 45.713 1.00 18.64 C ATOM 653 NE ARG A 409 57.329 8.127 45.052 1.00 20.83 N ATOM 654 CZ ARG A 409 56.106 7.960 44.558 1.00 22.85 C ATOM 655 NH1 ARG A 409 55.492 6.784 44.620 1.00 25.66 N ATOM 656 NH2 ARG A 409 55.487 8.981 43.981 1.00 23.55 N ATOM 657 HE ARG A 409 57.754 9.072 44.964 1.00 0.00 H ATOM 658 HH12 ARG A 409 54.535 6.676 44.227 1.00 0.00 H ATOM 659 HH11 ARG A 409 55.968 5.971 45.061 1.00 0.00 H ATOM 660 HH22 ARG A 409 54.530 8.857 43.593 1.00 0.00 H ATOM 661 HH21 ARG A 409 55.958 9.906 43.917 1.00 0.00 H ATOM 662 H ARG A 409 58.360 6.744 50.328 1.00 0.00 H ATOM 663 N ASP A 410 56.034 8.297 51.140 1.00 12.40 N ATOM 664 CA ASP A 410 54.856 8.674 51.917 1.00 12.31 C ATOM 665 C ASP A 410 55.028 8.324 53.383 1.00 11.12 C ATOM 666 O ASP A 410 56.001 7.648 53.756 1.00 10.42 O ATOM 667 CB ASP A 410 53.581 8.065 51.339 1.00 13.40 C ATOM 668 CG ASP A 410 53.655 6.569 51.176 1.00 14.40 C ATOM 669 OD1 ASP A 410 54.076 5.849 52.097 1.00 14.03 O ATOM 670 OD2 ASP A 410 53.258 6.093 50.091 1.00 17.34 O ATOM 671 H ASP A 410 56.651 7.534 51.485 1.00 0.00 H ATOM 672 N ALA A 411 54.105 8.796 54.215 1.00 10.22 N ATOM 673 CA ALA A 411 54.188 8.513 55.656 1.00 9.83 C ATOM 674 C ALA A 411 54.045 7.025 55.978 1.00 9.51 C ATOM 675 O ALA A 411 54.692 6.545 56.903 1.00 8.88 O ATOM 676 CB ALA A 411 53.139 9.301 56.430 1.00 9.76 C ATOM 677 H ALA A 411 53.320 9.369 53.845 1.00 0.00 H ATOM 678 N GLN A 412 53.187 6.323 55.241 1.00 9.71 N ATOM 679 CA GLN A 412 52.966 4.893 55.479 1.00 9.83 C ATOM 680 C GLN A 412 54.265 4.097 55.325 1.00 9.45 C ATOM 681 O GLN A 412 54.543 3.189 56.105 1.00 8.98 O ATOM 682 CB GLN A 412 51.894 4.349 54.533 1.00 10.53 C ATOM 683 CG GLN A 412 50.484 4.837 54.835 1.00 11.49 C ATOM 684 CD GLN A 412 50.054 6.078 54.060 1.00 12.57 C ATOM 685 OE1 GLN A 412 50.867 6.892 53.621 1.00 13.49 O ATOM 686 NE2 GLN A 412 48.726 6.230 53.892 1.00 14.09 N ATOM 687 HE22 GLN A 412 48.069 5.522 54.277 1.00 0.00 H ATOM 688 HE21 GLN A 412 48.358 7.056 53.377 1.00 0.00 H ATOM 689 H GLN A 412 52.662 6.799 54.480 1.00 0.00 H ATOM 690 N GLU A 413 55.076 4.456 54.330 1.00 9.12 N ATOM 691 CA GLU A 413 56.340 3.753 54.103 1.00 8.98 C ATOM 692 C GLU A 413 57.301 3.950 55.280 1.00 8.18 C ATOM 693 O GLU A 413 57.940 3.008 55.752 1.00 8.07 O ATOM 694 CB GLU A 413 56.986 4.198 52.788 1.00 9.54 C ATOM 695 CG GLU A 413 58.155 3.334 52.361 1.00 10.23 C ATOM 696 CD GLU A 413 58.835 3.841 51.096 1.00 10.92 C ATOM 697 OE1 GLU A 413 59.869 3.253 50.750 1.00 12.27 O ATOM 698 OE2 GLU A 413 58.371 4.820 50.464 1.00 11.53 O ATOM 699 H GLU A 413 54.808 5.245 53.708 1.00 0.00 H ATOM 700 N PHE A 414 57.362 5.187 55.757 1.00 7.60 N ATOM 701 CA PHE A 414 58.198 5.574 56.891 1.00 7.16 C ATOM 702 C PHE A 414 57.741 4.815 58.134 1.00 6.81 C ATOM 703 O PHE A 414 58.535 4.193 58.849 1.00 6.51 O ATOM 704 CB PHE A 414 58.115 7.094 57.096 1.00 7.13 C ATOM 705 CG PHE A 414 58.556 7.566 58.451 1.00 7.11 C ATOM 706 CD1 PHE A 414 59.906 7.835 58.720 1.00 7.04 C ATOM 707 CD2 PHE A 414 57.625 7.799 59.455 1.00 7.01 C ATOM 708 CE1 PHE A 414 60.305 8.294 59.970 1.00 7.04 C ATOM 709 CE2 PHE A 414 58.018 8.246 60.699 1.00 6.98 C ATOM 710 CZ PHE A 414 59.365 8.490 60.965 1.00 6.95 C ATOM 711 H PHE A 414 56.784 5.920 55.299 1.00 0.00 H ATOM 712 N ALA A 415 56.436 4.846 58.393 1.00 6.56 N ATOM 713 CA ALA A 415 55.925 4.198 59.604 1.00 6.35 C ATOM 714 C ALA A 415 56.157 2.690 59.596 1.00 6.19 C ATOM 715 O ALA A 415 56.414 2.114 60.646 1.00 6.06 O ATOM 716 CB ALA A 415 54.453 4.488 59.793 1.00 6.46 C ATOM 717 H ALA A 415 55.784 5.326 57.741 1.00 0.00 H ATOM 718 N ALA A 416 56.013 2.067 58.426 1.00 6.16 N ATOM 719 CA ALA A 416 56.240 0.634 58.309 1.00 6.09 C ATOM 720 C ALA A 416 57.686 0.267 58.728 1.00 5.98 C ATOM 721 O ALA A 416 57.902 -0.774 59.383 1.00 6.01 O ATOM 722 CB ALA A 416 55.926 0.157 56.898 1.00 6.25 C ATOM 723 H ALA A 416 55.735 2.612 57.585 1.00 0.00 H ATOM 724 N ASP A 417 58.672 1.106 58.379 1.00 5.91 N ATOM 725 CA ASP A 417 60.064 0.846 58.810 1.00 5.83 C ATOM 726 C ASP A 417 60.255 1.039 60.318 1.00 5.63 C ATOM 727 O ASP A 417 60.936 0.247 60.984 1.00 5.65 O ATOM 728 CB ASP A 417 61.084 1.734 58.073 1.00 5.94 C ATOM 729 CG ASP A 417 61.507 1.170 56.715 1.00 6.17 C ATOM 730 OD1 ASP A 417 61.097 0.027 56.326 1.00 6.29 O ATOM 731 OD2 ASP A 417 62.282 1.885 56.050 1.00 6.33 O ATOM 732 H ASP A 417 58.457 1.944 57.802 1.00 0.00 H ATOM 733 N VAL A 418 59.681 2.099 60.870 1.00 5.51 N ATOM 734 CA VAL A 418 59.857 2.376 62.297 1.00 5.43 C ATOM 735 C VAL A 418 59.212 1.223 63.078 1.00 5.44 C ATOM 736 O VAL A 418 59.792 0.690 64.019 1.00 5.37 O ATOM 737 CB VAL A 418 59.251 3.748 62.698 1.00 5.36 C ATOM 738 CG1 VAL A 418 59.307 3.936 64.202 1.00 5.33 C ATOM 739 CG2 VAL A 418 59.983 4.880 61.988 1.00 5.40 C ATOM 740 H VAL A 418 59.103 2.737 60.287 1.00 0.00 H ATOM 741 N ARG A 419 58.044 0.796 62.618 1.00 5.53 N ATOM 742 CA ARG A 419 57.334 -0.299 63.266 1.00 5.59 C ATOM 743 C ARG A 419 58.072 -1.622 63.099 1.00 5.66 C ATOM 744 O ARG A 419 58.103 -2.430 64.037 1.00 5.82 O ATOM 745 CB ARG A 419 55.883 -0.340 62.793 1.00 5.64 C ATOM 746 CG ARG A 419 55.059 0.787 63.382 1.00 5.69 C ATOM 747 CD ARG A 419 53.773 0.966 62.639 1.00 5.83 C ATOM 748 NE ARG A 419 52.881 1.943 63.269 1.00 5.91 N ATOM 749 CZ ARG A 419 51.961 2.631 62.612 1.00 5.98 C ATOM 750 NH1 ARG A 419 51.791 2.467 61.297 1.00 6.04 N ATOM 751 NH2 ARG A 419 51.214 3.496 63.275 1.00 6.05 N ATOM 752 HE ARG A 419 52.976 2.105 64.292 1.00 0.00 H ATOM 753 HH12 ARG A 419 51.064 3.015 60.794 1.00 0.00 H ATOM 754 HH11 ARG A 419 52.386 1.791 60.776 1.00 0.00 H ATOM 755 HH22 ARG A 419 50.486 4.045 62.775 1.00 0.00 H ATOM 756 HH21 ARG A 419 51.354 3.628 64.297 1.00 0.00 H ATOM 757 H ARG A 419 57.628 1.250 61.780 1.00 0.00 H ATOM 758 N LEU A 420 58.683 -1.845 61.931 1.00 5.64 N ATOM 759 CA LEU A 420 59.521 -3.033 61.716 1.00 5.61 C ATOM 760 C LEU A 420 60.635 -3.121 62.767 1.00 5.56 C ATOM 761 O LEU A 420 60.898 -4.172 63.345 1.00 5.42 O ATOM 762 CB LEU A 420 60.121 -3.009 60.313 1.00 5.73 C ATOM 763 CG LEU A 420 61.207 -4.021 59.960 1.00 5.81 C ATOM 764 CD1 LEU A 420 60.746 -5.464 60.095 1.00 5.93 C ATOM 765 CD2 LEU A 420 61.718 -3.755 58.554 1.00 5.98 C ATOM 766 H LEU A 420 58.562 -1.162 61.156 1.00 0.00 H ATOM 767 N MET A 421 61.259 -1.982 63.046 1.00 5.59 N ATOM 768 CA MET A 421 62.317 -1.943 64.053 1.00 5.68 C ATOM 769 C MET A 421 61.818 -2.469 65.417 1.00 5.64 C ATOM 770 O MET A 421 62.468 -3.304 66.068 1.00 5.71 O ATOM 771 CB MET A 421 62.811 -0.505 64.155 1.00 5.77 C ATOM 772 CG MET A 421 63.870 -0.233 65.184 1.00 5.91 C ATOM 773 SD MET A 421 64.265 1.518 65.260 1.00 6.16 S ATOM 774 CE MET A 421 62.799 2.063 66.137 1.00 6.10 C ATOM 775 H MET A 421 60.992 -1.111 62.544 1.00 0.00 H ATOM 776 N PHE A 422 60.642 -2.001 65.841 1.00 5.66 N ATOM 777 CA PHE A 422 60.082 -2.453 67.103 1.00 5.81 C ATOM 778 C PHE A 422 59.741 -3.947 67.047 1.00 5.88 C ATOM 779 O PHE A 422 60.037 -4.691 67.975 1.00 5.97 O ATOM 780 CB PHE A 422 58.845 -1.617 67.455 1.00 5.87 C ATOM 781 CG PHE A 422 59.143 -0.154 67.691 1.00 5.95 C ATOM 782 CD1 PHE A 422 60.150 0.221 68.581 1.00 6.11 C ATOM 783 CD2 PHE A 422 58.418 0.864 67.045 1.00 6.03 C ATOM 784 CE1 PHE A 422 60.442 1.545 68.825 1.00 6.15 C ATOM 785 CE2 PHE A 422 58.733 2.209 67.293 1.00 6.01 C ATOM 786 CZ PHE A 422 59.722 2.529 68.207 1.00 6.12 C ATOM 787 H PHE A 422 60.123 -1.308 65.264 1.00 0.00 H ATOM 788 N SER A 423 59.125 -4.376 65.947 1.00 5.97 N ATOM 789 CA SER A 423 58.740 -5.780 65.743 1.00 6.04 C ATOM 790 C SER A 423 59.937 -6.702 65.856 1.00 6.18 C ATOM 791 O SER A 423 59.847 -7.749 66.470 1.00 6.23 O ATOM 792 CB SER A 423 58.102 -6.011 64.374 1.00 6.08 C ATOM 793 OG SER A 423 56.926 -5.240 64.184 1.00 6.17 O ATOM 794 HG SER A 423 56.260 -5.481 64.875 1.00 0.00 H ATOM 795 H SER A 423 58.907 -3.687 65.199 1.00 0.00 H ATOM 796 N ASN A 424 61.054 -6.317 65.252 1.00 6.25 N ATOM 797 CA ASN A 424 62.249 -7.134 65.345 1.00 6.54 C ATOM 798 C ASN A 424 62.639 -7.358 66.793 1.00 6.74 C ATOM 799 O ASN A 424 63.022 -8.461 67.182 1.00 6.82 O ATOM 800 CB ASN A 424 63.404 -6.489 64.572 1.00 6.53 C ATOM 801 CG ASN A 424 63.201 -6.541 63.085 1.00 6.58 C ATOM 802 OD1 ASN A 424 62.415 -7.338 62.577 1.00 6.77 O ATOM 803 ND2 ASN A 424 63.937 -5.728 62.379 1.00 6.63 N ATOM 804 HD22 ASN A 424 64.588 -5.071 62.854 1.00 0.00 H ATOM 805 HD21 ASN A 424 63.873 -5.737 61.341 1.00 0.00 H ATOM 806 H ASN A 424 61.073 -5.429 64.711 1.00 0.00 H ATOM 807 N CYS A 425 62.534 -6.306 67.591 1.00 6.93 N ATOM 808 CA CYS A 425 62.852 -6.390 69.014 1.00 7.28 C ATOM 809 C CYS A 425 61.871 -7.301 69.758 1.00 7.40 C ATOM 810 O CYS A 425 62.289 -8.111 70.574 1.00 7.47 O ATOM 811 CB CYS A 425 62.896 -4.979 69.617 1.00 7.40 C ATOM 812 SG CYS A 425 63.380 -4.856 71.334 1.00 7.84 S ATOM 813 H CYS A 425 62.217 -5.398 67.195 1.00 0.00 H ATOM 814 N TYR A 426 60.577 -7.173 69.461 1.00 7.54 N ATOM 815 CA TYR A 426 59.561 -8.018 70.044 1.00 7.87 C ATOM 816 C TYR A 426 59.690 -9.486 69.623 1.00 8.36 C ATOM 817 O TYR A 426 59.241 -10.361 70.350 1.00 8.64 O ATOM 818 CB TYR A 426 58.145 -7.521 69.716 1.00 7.79 C ATOM 819 CG TYR A 426 57.879 -6.075 70.071 1.00 7.69 C ATOM 820 CD1 TYR A 426 58.438 -5.491 71.205 1.00 7.71 C ATOM 821 CD2 TYR A 426 57.000 -5.318 69.321 1.00 7.58 C ATOM 822 CE1 TYR A 426 58.203 -4.171 71.521 1.00 7.75 C ATOM 823 CE2 TYR A 426 56.740 -4.006 69.639 1.00 7.59 C ATOM 824 CZ TYR A 426 57.360 -3.435 70.740 1.00 7.71 C ATOM 825 OH TYR A 426 57.107 -2.124 71.055 1.00 7.93 O ATOM 826 HH TYR A 426 57.375 -1.546 70.297 1.00 0.00 H ATOM 827 H TYR A 426 60.289 -6.437 68.785 1.00 0.00 H ATOM 828 N LYS A 427 60.263 -9.752 68.448 1.00 8.67 N ATOM 829 CA LYS A 427 60.384 -11.126 67.967 1.00 9.20 C ATOM 830 C LYS A 427 61.600 -11.800 68.596 1.00 9.31 C ATOM 831 O LYS A 427 61.532 -12.982 68.976 1.00 9.48 O ATOM 832 CB LYS A 427 60.498 -11.181 66.443 1.00 9.37 C ATOM 833 CG LYS A 427 60.472 -12.595 65.893 1.00 9.99 C ATOM 834 CD LYS A 427 60.753 -12.683 64.421 1.00 10.57 C ATOM 835 CE LYS A 427 60.676 -14.138 63.984 1.00 11.32 C ATOM 836 NZ LYS A 427 61.025 -14.299 62.552 1.00 12.11 N ATOM 837 HZ1 LYS A 427 60.363 -13.746 61.971 1.00 0.00 H ATOM 838 HZ2 LYS A 427 61.995 -13.959 62.393 1.00 0.00 H ATOM 839 HZ3 LYS A 427 60.961 -15.304 62.292 1.00 0.00 H ATOM 840 H LYS A 427 60.628 -8.971 67.867 1.00 0.00 H ATOM 841 N TYR A 428 62.710 -11.074 68.654 1.00 9.51 N ATOM 842 CA TYR A 428 63.970 -11.680 69.063 1.00 9.90 C ATOM 843 C TYR A 428 64.070 -11.900 70.578 1.00 10.71 C ATOM 844 O TYR A 428 64.562 -12.958 71.042 1.00 10.91 O ATOM 845 CB TYR A 428 65.144 -10.835 68.580 1.00 9.70 C ATOM 846 CG TYR A 428 66.466 -11.475 68.952 1.00 9.65 C ATOM 847 CD1 TYR A 428 66.915 -12.618 68.292 1.00 9.68 C ATOM 848 CD2 TYR A 428 67.217 -10.996 70.015 1.00 9.70 C ATOM 849 CE1 TYR A 428 68.108 -13.227 68.652 1.00 9.81 C ATOM 850 CE2 TYR A 428 68.407 -11.597 70.375 1.00 9.98 C ATOM 851 CZ TYR A 428 68.850 -12.715 69.691 1.00 9.96 C ATOM 852 OH TYR A 428 70.041 -13.291 70.075 1.00 9.84 O ATOM 853 HH TYR A 428 70.227 -14.075 69.500 1.00 0.00 H ATOM 854 H TYR A 428 62.680 -10.065 68.405 1.00 0.00 H ATOM 855 N ASN A 429 63.630 -10.911 71.349 1.00 11.59 N ATOM 856 CA ASN A 429 63.828 -10.899 72.802 1.00 12.64 C ATOM 857 C ASN A 429 62.645 -11.414 73.607 1.00 14.28 C ATOM 858 O ASN A 429 61.501 -11.143 73.261 1.00 14.38 O ATOM 859 CB ASN A 429 64.132 -9.480 73.263 1.00 12.58 C ATOM 860 CG ASN A 429 65.380 -8.918 72.626 1.00 12.47 C ATOM 861 OD1 ASN A 429 66.485 -9.204 73.051 1.00 12.60 O ATOM 862 ND2 ASN A 429 65.203 -8.097 71.598 1.00 12.70 N ATOM 863 HD22 ASN A 429 64.242 -7.879 71.266 1.00 0.00 H ATOM 864 HD21 ASN A 429 66.026 -7.672 71.124 1.00 0.00 H ATOM 865 H ASN A 429 63.127 -10.116 70.906 1.00 0.00 H ATOM 866 N PRO A 430 62.907 -12.140 74.713 1.00 16.54 N ATOM 867 CA PRO A 430 61.782 -12.440 75.593 1.00 17.33 C ATOM 868 C PRO A 430 61.078 -11.167 76.074 1.00 17.29 C ATOM 869 O PRO A 430 61.733 -10.137 76.259 1.00 17.07 O ATOM 870 CB PRO A 430 62.425 -13.207 76.753 1.00 17.85 C ATOM 871 CG PRO A 430 63.683 -13.779 76.193 1.00 17.95 C ATOM 872 CD PRO A 430 64.150 -12.793 75.152 1.00 17.15 C ATOM 873 N PRO A 431 59.741 -11.228 76.251 1.00 18.16 N ATOM 874 CA PRO A 431 58.940 -10.027 76.514 1.00 18.91 C ATOM 875 C PRO A 431 59.202 -9.356 77.867 1.00 19.46 C ATOM 876 O PRO A 431 58.814 -8.199 78.058 1.00 19.33 O ATOM 877 CB PRO A 431 57.487 -10.525 76.403 1.00 18.91 C ATOM 878 CG PRO A 431 57.556 -12.010 76.538 1.00 19.02 C ATOM 879 CD PRO A 431 58.903 -12.412 76.008 1.00 18.66 C ATOM 880 N ASP A 432 59.867 -10.056 78.779 1.00 20.30 N ATOM 881 CA ASP A 432 60.250 -9.482 80.073 1.00 20.99 C ATOM 882 C ASP A 432 61.654 -8.857 80.109 1.00 20.36 C ATOM 883 O ASP A 432 62.085 -8.413 81.167 1.00 21.50 O ATOM 884 CB ASP A 432 60.125 -10.536 81.193 1.00 22.59 C ATOM 885 CG ASP A 432 61.053 -11.724 81.003 1.00 23.87 C ATOM 886 OD1 ASP A 432 61.377 -12.070 79.852 1.00 24.32 O ATOM 887 OD2 ASP A 432 61.457 -12.332 82.020 1.00 27.37 O ATOM 888 H ASP A 432 60.124 -11.042 78.569 1.00 0.00 H ATOM 889 N HIS A 433 62.351 -8.800 78.973 1.00 18.58 N ATOM 890 CA HIS A 433 63.697 -8.217 78.944 1.00 17.85 C ATOM 891 C HIS A 433 63.617 -6.696 78.915 1.00 16.37 C ATOM 892 O HIS A 433 62.682 -6.137 78.375 1.00 15.12 O ATOM 893 CB HIS A 433 64.511 -8.768 77.771 1.00 18.76 C ATOM 894 CG HIS A 433 65.089 -10.132 78.034 1.00 20.32 C ATOM 895 ND1 HIS A 433 66.244 -10.586 77.432 1.00 21.14 N ATOM 896 CD2 HIS A 433 64.687 -11.124 78.864 1.00 21.71 C ATOM 897 CE1 HIS A 433 66.519 -11.804 77.866 1.00 21.77 C ATOM 898 NE2 HIS A 433 65.590 -12.155 78.736 1.00 22.55 N ATOM 899 H HIS A 433 61.935 -9.174 78.096 1.00 0.00 H ATOM 900 N ASP A 434 64.594 -6.031 79.522 1.00 15.58 N ATOM 901 CA ASP A 434 64.610 -4.565 79.556 1.00 15.28 C ATOM 902 C ASP A 434 64.519 -3.937 78.171 1.00 13.58 C ATOM 903 O ASP A 434 63.877 -2.911 78.007 1.00 12.87 O ATOM 904 CB ASP A 434 65.876 -4.047 80.248 1.00 16.79 C ATOM 905 CG ASP A 434 65.795 -4.098 81.775 1.00 18.81 C ATOM 906 OD1 ASP A 434 64.690 -4.240 82.357 1.00 20.82 O ATOM 907 OD2 ASP A 434 66.864 -3.974 82.394 1.00 21.33 O ATOM 908 H ASP A 434 65.362 -6.560 79.982 1.00 0.00 H ATOM 909 N VAL A 435 65.173 -4.527 77.176 1.00 12.29 N ATOM 910 CA VAL A 435 65.187 -3.896 75.863 1.00 11.42 C ATOM 911 C VAL A 435 63.787 -3.879 75.246 1.00 10.55 C ATOM 912 O VAL A 435 63.460 -2.974 74.464 1.00 9.70 O ATOM 913 CB VAL A 435 66.215 -4.500 74.911 1.00 11.38 C ATOM 914 CG1 VAL A 435 65.835 -5.908 74.500 1.00 11.55 C ATOM 915 CG2 VAL A 435 66.379 -3.605 73.687 1.00 11.35 C ATOM 916 H VAL A 435 65.669 -5.428 77.333 1.00 0.00 H ATOM 917 N VAL A 436 62.965 -4.862 75.624 1.00 10.09 N ATOM 918 CA VAL A 436 61.566 -4.883 75.180 1.00 9.78 C ATOM 919 C VAL A 436 60.757 -3.741 75.815 1.00 9.72 C ATOM 920 O VAL A 436 59.990 -3.087 75.129 1.00 9.16 O ATOM 921 CB VAL A 436 60.905 -6.268 75.371 1.00 9.96 C ATOM 922 CG1 VAL A 436 59.419 -6.214 75.044 1.00 9.95 C ATOM 923 CG2 VAL A 436 61.586 -7.317 74.506 1.00 10.03 C ATOM 924 H VAL A 436 63.320 -5.621 76.240 1.00 0.00 H ATOM 925 N ALA A 437 60.942 -3.487 77.113 1.00 9.81 N ATOM 926 CA ALA A 437 60.361 -2.329 77.773 1.00 10.09 C ATOM 927 C ALA A 437 60.772 -1.021 77.098 1.00 9.87 C ATOM 928 O ALA A 437 59.963 -0.123 76.931 1.00 9.64 O ATOM 929 CB ALA A 437 60.766 -2.285 79.247 1.00 10.55 C ATOM 930 H ALA A 437 61.524 -4.142 77.673 1.00 0.00 H ATOM 931 N MET A 438 62.045 -0.920 76.736 1.00 10.12 N ATOM 932 CA MET A 438 62.557 0.268 76.084 1.00 10.24 C ATOM 933 C MET A 438 61.895 0.470 74.729 1.00 9.69 C ATOM 934 O MET A 438 61.500 1.582 74.384 1.00 9.53 O ATOM 935 CB MET A 438 64.081 0.162 75.943 1.00 11.08 C ATOM 936 CG MET A 438 64.781 0.103 77.286 1.00 12.01 C ATOM 937 SD MET A 438 66.539 -0.325 77.170 1.00 14.23 S ATOM 938 CE MET A 438 67.235 1.176 76.596 1.00 13.75 C ATOM 939 H MET A 438 62.691 -1.713 76.925 1.00 0.00 H ATOM 940 N ALA A 439 61.758 -0.619 73.981 1.00 9.39 N ATOM 941 CA ALA A 439 61.067 -0.609 72.695 1.00 9.13 C ATOM 942 C ALA A 439 59.599 -0.156 72.834 1.00 9.33 C ATOM 943 O ALA A 439 59.147 0.716 72.108 1.00 8.94 O ATOM 944 CB ALA A 439 61.130 -1.995 72.079 1.00 8.99 C ATOM 945 H ALA A 439 62.159 -1.515 74.325 1.00 0.00 H ATOM 946 N ARG A 440 58.898 -0.709 73.816 1.00 10.08 N ATOM 947 CA ARG A 440 57.500 -0.321 74.075 1.00 10.65 C ATOM 948 C ARG A 440 57.359 1.162 74.381 1.00 10.14 C ATOM 949 O ARG A 440 56.433 1.798 73.892 1.00 9.59 O ATOM 950 CB ARG A 440 56.919 -1.142 75.237 1.00 12.51 C ATOM 951 CG ARG A 440 56.759 -2.610 74.890 1.00 14.17 C ATOM 952 CD ARG A 440 56.370 -3.430 76.101 1.00 16.80 C ATOM 953 NE ARG A 440 54.988 -3.198 76.493 1.00 20.19 N ATOM 954 CZ ARG A 440 54.428 -3.689 77.600 1.00 24.14 C ATOM 955 NH1 ARG A 440 55.145 -4.436 78.452 1.00 26.29 N ATOM 956 NH2 ARG A 440 53.146 -3.430 77.866 1.00 26.02 N ATOM 957 HE ARG A 440 54.398 -2.611 75.869 1.00 0.00 H ATOM 958 HH12 ARG A 440 54.700 -4.815 79.313 1.00 0.00 H ATOM 959 HH11 ARG A 440 56.146 -4.637 78.252 1.00 0.00 H ATOM 960 HH22 ARG A 440 52.706 -3.811 78.728 1.00 0.00 H ATOM 961 HH21 ARG A 440 52.587 -2.847 77.211 1.00 0.00 H ATOM 962 H ARG A 440 59.345 -1.432 74.416 1.00 0.00 H ATOM 963 N LYS A 441 58.273 1.689 75.182 1.00 9.52 N ATOM 964 CA LYS A 441 58.261 3.106 75.558 1.00 9.39 C ATOM 965 C LYS A 441 58.533 3.997 74.344 1.00 8.75 C ATOM 966 O LYS A 441 57.845 5.008 74.115 1.00 8.72 O ATOM 967 CB LYS A 441 59.254 3.371 76.693 1.00 9.68 C ATOM 968 CG LYS A 441 58.784 2.780 78.026 1.00 10.22 C ATOM 969 CD LYS A 441 59.870 2.702 79.080 1.00 10.73 C ATOM 970 CE LYS A 441 60.261 4.069 79.595 1.00 10.93 C ATOM 971 NZ LYS A 441 61.339 3.911 80.614 1.00 11.36 N ATOM 972 HZ1 LYS A 441 60.989 3.326 81.399 1.00 0.00 H ATOM 973 HZ2 LYS A 441 62.163 3.450 80.177 1.00 0.00 H ATOM 974 HZ3 LYS A 441 61.614 4.847 80.974 1.00 0.00 H ATOM 975 H LYS A 441 59.025 1.076 75.557 1.00 0.00 H ATOM 976 N LEU A 442 59.509 3.616 73.536 1.00 8.22 N ATOM 977 CA LEU A 442 59.807 4.395 72.336 1.00 7.86 C ATOM 978 C LEU A 442 58.656 4.293 71.336 1.00 7.69 C ATOM 979 O LEU A 442 58.323 5.263 70.663 1.00 7.57 O ATOM 980 CB LEU A 442 61.129 3.963 71.694 1.00 7.78 C ATOM 981 CG LEU A 442 61.682 4.974 70.683 1.00 7.64 C ATOM 982 CD1 LEU A 442 62.007 6.286 71.393 1.00 7.76 C ATOM 983 CD2 LEU A 442 62.892 4.402 69.956 1.00 7.69 C ATOM 984 H LEU A 442 60.063 2.764 73.755 1.00 0.00 H ATOM 985 N GLN A 443 58.031 3.119 71.244 1.00 7.67 N ATOM 986 CA GLN A 443 56.915 2.968 70.329 1.00 7.73 C ATOM 987 C GLN A 443 55.731 3.795 70.817 1.00 7.87 C ATOM 988 O GLN A 443 55.001 4.334 70.000 1.00 7.78 O ATOM 989 CB GLN A 443 56.505 1.499 70.111 1.00 7.90 C ATOM 990 CG GLN A 443 55.365 1.388 69.095 1.00 7.99 C ATOM 991 CD GLN A 443 55.152 0.000 68.513 1.00 8.12 C ATOM 992 OE1 GLN A 443 55.640 -0.991 69.028 1.00 8.13 O ATOM 993 NE2 GLN A 443 54.403 -0.065 67.406 1.00 8.45 N ATOM 994 HE22 GLN A 443 54.004 0.804 66.996 1.00 0.00 H ATOM 995 HE21 GLN A 443 54.220 -0.984 66.955 1.00 0.00 H ATOM 996 H GLN A 443 58.342 2.315 71.826 1.00 0.00 H ATOM 997 N ASP A 444 55.535 3.917 72.129 1.00 8.05 N ATOM 998 CA ASP A 444 54.454 4.766 72.628 1.00 8.37 C ATOM 999 C ASP A 444 54.674 6.207 72.160 1.00 8.18 C ATOM 1000 O ASP A 444 53.746 6.864 71.755 1.00 8.34 O ATOM 1001 CB ASP A 444 54.360 4.662 74.152 1.00 8.79 C ATOM 1002 CG ASP A 444 53.120 5.331 74.718 1.00 9.29 C ATOM 1003 OD1 ASP A 444 53.274 6.345 75.408 1.00 9.79 O ATOM 1004 OD2 ASP A 444 51.999 4.843 74.493 1.00 9.60 O ATOM 1005 H ASP A 444 56.150 3.409 72.797 1.00 0.00 H ATOM 1006 N VAL A 445 55.913 6.693 72.228 1.00 7.86 N ATOM 1007 CA VAL A 445 56.232 8.035 71.775 1.00 7.56 C ATOM 1008 C VAL A 445 55.929 8.204 70.291 1.00 7.19 C ATOM 1009 O VAL A 445 55.289 9.178 69.877 1.00 7.15 O ATOM 1010 CB VAL A 445 57.717 8.368 72.061 1.00 7.60 C ATOM 1011 CG1 VAL A 445 58.111 9.704 71.483 1.00 7.62 C ATOM 1012 CG2 VAL A 445 57.970 8.370 73.552 1.00 7.88 C ATOM 1013 H VAL A 445 56.671 6.096 72.616 1.00 0.00 H ATOM 1014 N PHE A 446 56.374 7.236 69.509 1.00 6.69 N ATOM 1015 CA PHE A 446 56.150 7.215 68.090 1.00 6.51 C ATOM 1016 C PHE A 446 54.641 7.257 67.769 1.00 6.56 C ATOM 1017 O PHE A 446 54.177 8.096 67.005 1.00 6.47 O ATOM 1018 CB PHE A 446 56.785 5.973 67.469 1.00 6.35 C ATOM 1019 CG PHE A 446 56.415 5.804 66.013 1.00 6.29 C ATOM 1020 CD1 PHE A 446 56.959 6.637 65.060 1.00 6.22 C ATOM 1021 CD2 PHE A 446 55.463 4.869 65.627 1.00 6.28 C ATOM 1022 CE1 PHE A 446 56.601 6.505 63.723 1.00 6.23 C ATOM 1023 CE2 PHE A 446 55.078 4.750 64.303 1.00 6.25 C ATOM 1024 CZ PHE A 446 55.653 5.570 63.343 1.00 6.23 C ATOM 1025 H PHE A 446 56.910 6.455 69.940 1.00 0.00 H ATOM 1026 N GLU A 447 53.912 6.301 68.328 1.00 6.75 N ATOM 1027 CA GLU A 447 52.515 6.096 67.934 1.00 6.96 C ATOM 1028 C GLU A 447 51.654 7.306 68.305 1.00 7.27 C ATOM 1029 O GLU A 447 50.784 7.726 67.521 1.00 7.37 O ATOM 1030 CB GLU A 447 51.955 4.812 68.536 1.00 7.07 C ATOM 1031 CG GLU A 447 52.630 3.525 68.058 1.00 6.96 C ATOM 1032 CD GLU A 447 52.328 3.168 66.608 1.00 6.96 C ATOM 1033 OE1 GLU A 447 51.433 3.821 66.016 1.00 7.04 O ATOM 1034 OE2 GLU A 447 53.023 2.267 66.052 1.00 6.84 O ATOM 1035 H GLU A 447 54.336 5.689 69.054 1.00 0.00 H ATOM 1036 N PHE A 448 51.878 7.895 69.475 1.00 7.39 N ATOM 1037 CA PHE A 448 51.038 9.029 69.853 1.00 7.54 C ATOM 1038 C PHE A 448 51.285 10.261 68.978 1.00 7.56 C ATOM 1039 O PHE A 448 50.341 10.951 68.623 1.00 7.65 O ATOM 1040 CB PHE A 448 51.109 9.310 71.354 1.00 7.70 C ATOM 1041 CG PHE A 448 50.220 8.400 72.159 1.00 7.83 C ATOM 1042 CD1 PHE A 448 48.989 8.832 72.612 1.00 8.12 C ATOM 1043 CD2 PHE A 448 50.593 7.090 72.410 1.00 7.77 C ATOM 1044 CE1 PHE A 448 48.163 7.977 73.326 1.00 8.29 C ATOM 1045 CE2 PHE A 448 49.783 6.238 73.132 1.00 7.93 C ATOM 1046 CZ PHE A 448 48.565 6.686 73.590 1.00 8.21 C ATOM 1047 H PHE A 448 52.633 7.557 70.106 1.00 0.00 H ATOM 1048 N ARG A 449 52.530 10.532 68.609 1.00 7.54 N ATOM 1049 CA ARG A 449 52.782 11.639 67.717 1.00 7.52 C ATOM 1050 C ARG A 449 52.436 11.325 66.249 1.00 7.53 C ATOM 1051 O ARG A 449 51.882 12.170 65.553 1.00 7.63 O ATOM 1052 CB ARG A 449 54.215 12.140 67.861 1.00 7.54 C ATOM 1053 CG ARG A 449 54.418 13.416 67.082 1.00 7.66 C ATOM 1054 CD ARG A 449 55.725 14.096 67.409 1.00 7.70 C ATOM 1055 NE ARG A 449 55.957 15.137 66.419 1.00 7.89 N ATOM 1056 CZ ARG A 449 57.071 15.851 66.332 1.00 7.94 C ATOM 1057 NH1 ARG A 449 58.067 15.616 67.174 1.00 8.03 N ATOM 1058 NH2 ARG A 449 57.184 16.791 65.386 1.00 7.93 N ATOM 1059 HE ARG A 449 55.199 15.334 65.735 1.00 0.00 H ATOM 1060 HH12 ARG A 449 58.943 16.172 67.111 1.00 0.00 H ATOM 1061 HH11 ARG A 449 57.972 14.875 67.898 1.00 0.00 H ATOM 1062 HH22 ARG A 449 58.056 17.354 65.314 1.00 0.00 H ATOM 1063 HH21 ARG A 449 56.400 16.959 64.723 1.00 0.00 H ATOM 1064 H ARG A 449 53.319 9.952 68.960 1.00 0.00 H ATOM 1065 N TYR A 450 52.723 10.109 65.786 1.00 7.45 N ATOM 1066 CA TYR A 450 52.383 9.715 64.410 1.00 7.61 C ATOM 1067 C TYR A 450 50.878 9.905 64.137 1.00 8.14 C ATOM 1068 O TYR A 450 50.461 10.325 63.032 1.00 7.85 O ATOM 1069 CB TYR A 450 52.809 8.267 64.161 1.00 7.50 C ATOM 1070 CG TYR A 450 52.551 7.814 62.767 1.00 7.44 C ATOM 1071 CD1 TYR A 450 53.352 8.237 61.734 1.00 7.34 C ATOM 1072 CD2 TYR A 450 51.541 6.916 62.479 1.00 7.56 C ATOM 1073 CE1 TYR A 450 53.141 7.814 60.434 1.00 7.59 C ATOM 1074 CE2 TYR A 450 51.321 6.478 61.166 1.00 7.78 C ATOM 1075 CZ TYR A 450 52.118 6.943 60.146 1.00 7.76 C ATOM 1076 OH TYR A 450 51.931 6.536 58.832 1.00 8.11 O ATOM 1077 HH TYR A 450 52.041 5.554 58.773 1.00 0.00 H ATOM 1078 H TYR A 450 53.197 9.425 66.410 1.00 0.00 H ATOM 1079 N ALA A 451 50.091 9.634 65.180 1.00 8.83 N ATOM 1080 CA ALA A 451 48.634 9.703 65.091 1.00 9.88 C ATOM 1081 C ALA A 451 48.130 11.090 64.736 1.00 11.29 C ATOM 1082 O ALA A 451 47.021 11.211 64.191 1.00 11.46 O ATOM 1083 CB ALA A 451 47.989 9.231 66.385 1.00 9.94 C ATOM 1084 H ALA A 451 50.528 9.365 66.085 1.00 0.00 H ATOM 1085 N LYS A 452 48.936 12.112 65.023 1.00 12.81 N ATOM 1086 CA LYS A 452 48.590 13.522 64.769 1.00 15.00 C ATOM 1087 C LYS A 452 49.005 13.909 63.368 1.00 15.69 C ATOM 1088 O LYS A 452 49.607 14.965 63.144 1.00 16.32 O ATOM 1089 CB LYS A 452 49.277 14.415 65.787 1.00 16.69 C ATOM 1090 CG LYS A 452 48.924 14.051 67.217 1.00 18.81 C ATOM 1091 CD LYS A 452 49.574 15.002 68.192 1.00 21.68 C ATOM 1092 CE LYS A 452 49.062 14.760 69.603 1.00 23.87 C ATOM 1093 NZ LYS A 452 49.531 15.881 70.463 1.00 26.20 N ATOM 1094 HZ1 LYS A 452 50.571 15.909 70.458 1.00 0.00 H ATOM 1095 HZ2 LYS A 452 49.157 16.779 70.094 1.00 0.00 H ATOM 1096 HZ3 LYS A 452 49.192 15.736 71.435 1.00 0.00 H ATOM 1097 H LYS A 452 49.861 11.903 65.450 1.00 0.00 H ATOM 1098 N MET A 453 48.612 13.061 62.428 1.00 17.07 N ATOM 1099 CA MET A 453 49.029 13.128 61.041 1.00 18.20 C ATOM 1100 C MET A 453 48.334 14.305 60.373 1.00 18.86 C ATOM 1101 O MET A 453 47.117 14.377 60.425 1.00 19.13 O ATOM 1102 CB MET A 453 48.596 11.838 60.344 1.00 18.74 C ATOM 1103 CG MET A 453 48.963 11.742 58.866 1.00 19.37 C ATOM 1104 SD MET A 453 50.735 11.809 58.548 1.00 19.62 S ATOM 1105 CE MET A 453 51.329 10.387 59.483 1.00 20.10 C ATOM 1106 H MET A 453 47.962 12.297 62.704 1.00 0.00 H ATOM 1107 N PRO A 454 49.094 15.224 59.746 1.00 19.36 N ATOM 1108 CA PRO A 454 48.429 16.267 58.954 1.00 20.52 C ATOM 1109 C PRO A 454 47.531 15.656 57.883 1.00 22.13 C ATOM 1110 O PRO A 454 47.960 14.757 57.150 1.00 22.09 O ATOM 1111 CB PRO A 454 49.600 17.050 58.324 1.00 20.73 C ATOM 1112 CG PRO A 454 50.768 16.755 59.188 1.00 20.04 C ATOM 1113 CD PRO A 454 50.562 15.360 59.711 1.00 19.49 C ATOM 1114 N ASP A 455 46.288 16.126 57.802 1.00 23.57 N ATOM 1115 CA ASP A 455 45.261 15.472 56.971 1.00 25.52 C ATOM 1116 C ASP A 455 44.403 16.481 56.207 1.00 26.31 C ATOM 1117 O ASP A 455 43.446 16.100 55.527 1.00 27.40 O ATOM 1118 CB ASP A 455 44.361 14.573 57.847 1.00 27.21 C ATOM 1119 CG ASP A 455 43.653 15.348 58.967 1.00 28.31 C ATOM 1120 OD1 ASP A 455 43.741 16.595 58.987 1.00 30.61 O ATOM 1121 OD2 ASP A 455 42.998 14.713 59.828 1.00 29.61 O ATOM 1122 OXT ASP A 455 44.639 17.689 56.242 1.00 25.50 O ATOM 1123 H ASP A 455 46.034 16.979 58.340 1.00 0.00 H TER 1124 ASP A 455 HETATM 1125 O HOH 2 61.304 11.199 46.763 1.00 20.89 O HETATM 1126 O HOH 3 58.967 0.724 54.463 1.00 10.88 O HETATM 1127 O HOH 4 52.139 2.236 57.200 1.00 8.64 O HETATM 1128 O HOH 5 50.728 3.995 58.827 1.00 10.77 O HETATM 1129 O HOH 6 51.863 10.305 53.377 1.00 14.99 O HETATM 1130 O HOH 7 48.793 4.280 61.824 1.00 8.43 O HETATM 1131 O HOH 8 65.482 9.772 46.178 1.00 15.13 O HETATM 1132 O HOH 9 66.234 13.243 58.774 1.00 24.21 O HETATM 1133 O HOH 10 61.793 10.792 52.260 1.00 23.21 O HETATM 1134 O HOH 11 60.862 1.371 52.292 1.00 17.46 O HETATM 1135 O HOH 12 68.279 5.116 50.769 1.00 17.36 O HETATM 1136 O HOH 13 48.065 3.227 59.276 1.00 13.95 O HETATM 1137 O HOH 14 66.216 16.788 58.329 1.00 22.95 O HETATM 1138 O HOH 15 50.102 8.659 51.681 1.00 31.78 O HETATM 1139 O HOH 16 72.271 8.221 59.266 1.00 34.48 O HETATM 1140 O HOH 17 65.733 2.727 47.845 1.00 21.85 O HETATM 1141 O HOH 18 73.106 3.288 59.018 1.00 47.23 O HETATM 1142 O HOH 19 71.719 1.829 56.816 1.00 30.83 O HETATM 1143 O HOH 20 53.937 3.116 50.796 1.00 30.06 O HETATM 1144 O HOH 21 46.699 4.268 56.957 1.00 21.06 O HETATM 1145 O HOH 22 45.327 6.392 56.202 1.00 23.07 O HETATM 1146 O HOH 23 65.799 -6.170 67.319 1.00 9.30 O HETATM 1147 O HOH 24 65.031 -3.699 66.656 1.00 15.83 O HETATM 1148 O HOH 25 67.014 -2.025 65.792 1.00 15.75 O HETATM 1149 O HOH 26 69.501 -3.773 63.041 1.00 9.61 O HETATM 1150 O HOH 27 71.511 -5.544 62.077 1.00 9.09 O HETATM 1151 O HOH 28 74.875 -7.735 62.752 1.00 13.65 O HETATM 1152 O HOH 29 69.261 -2.177 60.826 1.00 9.38 O HETATM 1153 O HOH 30 70.528 -2.967 58.576 1.00 24.73 O HETATM 1154 O HOH 31 66.706 -4.756 63.773 1.00 6.40 O HETATM 1155 O HOH 32 69.294 -1.473 66.898 1.00 11.00 O HETATM 1156 O HOH 33 74.661 -3.370 68.222 1.00 19.79 O HETATM 1157 O HOH 34 76.160 -1.151 64.389 1.00 25.98 O HETATM 1158 O HOH 35 62.703 -8.935 60.255 1.00 15.65 O HETATM 1159 O HOH 36 62.175 -11.824 60.090 1.00 14.94 O HETATM 1160 O HOH 37 69.143 -10.245 58.741 1.00 11.93 O HETATM 1161 O HOH 38 68.865 -18.721 58.642 1.00 16.07 O HETATM 1162 O HOH 39 54.625 16.748 64.010 1.00 21.20 O HETATM 1163 O HOH 40 56.405 12.988 73.004 1.00 24.80 O HETATM 1164 O HOH 41 54.579 11.246 71.658 1.00 13.27 O HETATM 1165 O HOH 42 57.010 12.166 75.472 1.00 21.65 O HETATM 1166 O HOH 43 66.690 9.429 71.692 1.00 7.16 O HETATM 1167 O HOH 44 67.206 14.836 67.357 1.00 23.90 O HETATM 1168 O HOH 45 64.763 17.013 68.537 1.00 20.65 O HETATM 1169 O HOH 46 55.664 -2.273 65.651 1.00 15.50 O HETATM 1170 O HOH 47 45.661 8.971 57.960 1.00 31.78 O HETATM 1171 O HOH 48 51.705 1.502 71.383 1.00 41.19 O HETATM 1172 O HOH 49 49.485 5.798 66.428 1.00 23.01 O HETATM 1173 O HOH 50 54.858 -5.948 65.443 1.00 15.70 O HETATM 1174 O HOH 51 67.138 -6.587 77.545 1.00 18.61 O HETATM 1175 O HOH 52 66.570 -7.698 80.728 1.00 27.96 O HETATM 1176 O HOH 53 64.025 -2.955 84.988 1.00 38.82 O HETATM 1177 O HOH 54 73.249 -0.965 67.712 1.00 28.43 O HETATM 1178 O HOH 55 59.017 -10.122 73.196 1.00 21.08 O HETATM 1179 O HOH 56 59.873 -5.998 79.254 1.00 23.47 O HETATM 1180 O HOH 57 77.361 -2.976 69.276 1.00 34.83 O HETATM 1181 O HOH 58 72.707 -14.866 62.543 1.00 20.12 O HETATM 1182 O HOH 59 72.145 1.296 68.739 1.00 20.56 O HETATM 1183 O HOH 60 65.517 16.794 73.489 1.00 17.53 O HETATM 1184 O HOH 61 68.617 16.244 71.438 1.00 21.15 O HETATM 1185 O HOH 62 62.498 -1.149 54.387 1.00 19.28 O HETATM 1186 O HOH 63 57.005 -11.827 69.560 1.00 22.33 O HETATM 1187 O HOH 64 77.620 -8.871 63.192 1.00 34.35 O HETATM 1188 O HOH 65 67.587 -9.071 75.437 1.00 30.96 O HETATM 1189 O HOH 66 77.442 -13.964 64.267 1.00 30.29 O HETATM 1190 O HOH 67 68.313 13.776 59.744 1.00 37.89 O HETATM 1191 CAW UNN A 68 71.869 -10.958 73.041 1.00 0.07 C HETATM 1192 OAU UNN A 68 70.618 -10.280 72.862 1.00 -0.28 O HETATM 1193 CAT UNN A 68 70.789 -8.974 72.588 1.00 0.24 C HETATM 1194 OAV UNN A 68 71.747 -8.310 73.003 1.00 -0.37 O HETATM 1195 CAS UNN A 68 69.795 -8.414 71.557 1.00 0.09 C HETATM 1196 CBD UNN A 68 70.469 -8.875 70.279 1.00 -0.03 C HETATM 1197 CBE UNN A 68 70.130 -8.022 69.073 1.00 -0.06 C HETATM 1198 H7 UNN A 68 70.652 -8.414 68.188 1.00 0.02 H HETATM 1199 H8 UNN A 68 70.448 -6.985 69.256 1.00 0.02 H HETATM 1200 H9 UNN A 68 69.044 -8.047 68.899 1.00 0.02 H HETATM 1201 H5 UNN A 68 70.154 -9.909 70.073 1.00 0.03 H HETATM 1202 H6 UNN A 68 71.558 -8.846 70.430 1.00 0.03 H HETATM 1203 CAI UNN A 68 69.750 -6.894 71.713 1.00 0.11 C HETATM 1204 NAH UNN A 68 69.612 -6.375 73.111 1.00 -0.32 N HETATM 1205 CAG UNN A 68 70.069 -5.139 73.407 1.00 0.05 C HETATM 1206 CAD UNN A 68 70.575 -4.337 72.379 1.00 0.04 C HETATM 1207 CAE UNN A 68 70.021 -4.216 71.089 1.00 0.11 C HETATM 1208 NAK UNN A 68 68.928 -4.890 70.665 1.00 -0.17 N HETATM 1209 CAJ UNN A 68 68.783 -6.188 70.960 1.00 0.16 C HETATM 1210 NAN UNN A 68 67.625 -6.656 70.456 1.00 -0.28 N HETATM 1211 NAO UNN A 68 67.053 -5.684 69.856 1.00 -0.28 N HETATM 1212 CAP UNN A 68 67.835 -4.593 69.964 1.00 0.14 C HETATM 1213 CAR UNN A 68 67.519 -3.229 69.370 1.00 0.02 C HETATM 1214 H11 UNN A 68 66.554 -3.273 68.844 1.00 0.05 H HETATM 1215 H12 UNN A 68 68.310 -2.946 68.660 1.00 0.05 H HETATM 1216 H13 UNN A 68 67.465 -2.482 70.175 1.00 0.05 H HETATM 1217 CAF UNN A 68 70.650 -3.380 70.159 1.00 -0.03 C HETATM 1218 CAA UNN A 68 71.807 -2.678 70.516 1.00 -0.03 C HETATM 1219 CAB UNN A 68 72.357 -2.812 71.795 1.00 0.09 C HETATM 1220 OAL UNN A 68 73.481 -2.163 72.236 1.00 -0.32 O HETATM 1221 CAM UNN A 68 74.253 -1.404 71.289 1.00 0.06 C HETATM 1222 H16 UNN A 68 75.115 -0.949 71.799 1.00 0.06 H HETATM 1223 H17 UNN A 68 73.625 -0.612 70.854 1.00 0.06 H HETATM 1224 H18 UNN A 68 74.610 -2.070 70.489 1.00 0.06 H HETATM 1225 CAC UNN A 68 71.736 -3.651 72.713 1.00 -0.02 C HETATM 1226 H19 UNN A 68 72.163 -3.772 73.702 1.00 0.06 H HETATM 1227 H15 UNN A 68 72.282 -2.024 69.794 1.00 0.06 H HETATM 1228 H14 UNN A 68 70.240 -3.276 69.161 1.00 0.06 H HETATM 1229 CAQ UNN A 68 69.935 -4.629 74.717 1.00 0.01 C HETATM 1230 CAX UNN A 68 69.689 -3.266 74.956 1.00 -0.04 C HETATM 1231 CAY UNN A 68 69.558 -2.778 76.263 1.00 -0.04 C HETATM 1232 CAZ UNN A 68 69.659 -3.648 77.337 1.00 0.05 C HETATM 1233 CL1 UNN A 68 69.493 -3.073 78.963 1.00 -0.06 CL HETATM 1234 CBA UNN A 68 69.905 -5.000 77.111 1.00 -0.04 C HETATM 1235 CBB UNN A 68 70.039 -5.488 75.812 1.00 -0.04 C HETATM 1236 H23 UNN A 68 70.226 -6.544 75.651 1.00 0.07 H HETATM 1237 H22 UNN A 68 69.993 -5.678 77.952 1.00 0.06 H HETATM 1238 H21 UNN A 68 69.378 -1.723 76.434 1.00 0.06 H HETATM 1239 H20 UNN A 68 69.600 -2.584 74.119 1.00 0.07 H HETATM 1240 H10 UNN A 68 70.731 -6.556 71.349 1.00 0.07 H HETATM 1241 H4 UNN A 68 68.784 -8.836 71.661 1.00 0.06 H HETATM 1242 H1 UNN A 68 71.683 -12.019 73.262 1.00 0.06 H HETATM 1243 H2 UNN A 68 72.418 -10.500 73.877 1.00 0.06 H HETATM 1244 H3 UNN A 68 72.466 -10.875 72.121 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1191 1192 1242 1243 1244 CONECT 1192 1191 1193 CONECT 1193 1192 1194 1195 CONECT 1194 1193 CONECT 1195 1193 1196 1203 1241 CONECT 1196 1195 1197 1201 1202 CONECT 1197 1196 1198 1199 1200 CONECT 1198 1197 CONECT 1199 1197 CONECT 1200 1197 CONECT 1201 1196 CONECT 1202 1196 CONECT 1203 1195 1204 1209 1240 CONECT 1204 1203 1205 CONECT 1205 1204 1206 1229 CONECT 1206 1205 1207 1225 CONECT 1207 1206 1208 1217 CONECT 1208 1207 1209 1212 CONECT 1209 1203 1208 1210 CONECT 1210 1209 1211 CONECT 1211 1210 1212 CONECT 1212 1208 1211 1213 CONECT 1213 1212 1214 1215 1216 CONECT 1214 1213 CONECT 1215 1213 CONECT 1216 1213 CONECT 1217 1207 1218 1228 CONECT 1218 1217 1219 1227 CONECT 1219 1218 1220 1225 CONECT 1220 1219 1221 CONECT 1221 1220 1222 1223 1224 CONECT 1222 1221 CONECT 1223 1221 CONECT 1224 1221 CONECT 1225 1206 1219 1226 CONECT 1226 1225 CONECT 1227 1218 CONECT 1228 1217 CONECT 1229 1205 1230 1235 CONECT 1230 1229 1231 1239 CONECT 1231 1230 1232 1238 CONECT 1232 1231 1233 1234 CONECT 1233 1232 CONECT 1234 1232 1235 1237 CONECT 1235 1229 1234 1236 CONECT 1236 1235 CONECT 1237 1234 CONECT 1238 1231 CONECT 1239 1230 CONECT 1240 1203 CONECT 1241 1195 CONECT 1242 1191 CONECT 1243 1191 CONECT 1244 1191 MASTER 0 0 0 0 0 0 0 0 1243 1 58 9 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4qew
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain-containing protein 2, BRD2(BD2) L383A mutant
Ligand Name
31P
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=86nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Science Vol. 346: pp. 638-641
Ligand Properties
Formula
C
2
3
H
2
3
ClN
4
O
3
Molecular Weight
438.907
Exact Mass
438.146
No. of atoms
54
No. of bonds
57
Polar Surface Area
78.6
LOGP Value
3.99 (
Computed with XLOGP3
)
3.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)CC
InChI String
InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1
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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