Browse entries in the PDBbind-CN Database
HEADER 3C6W_COMPLEX COMPND 3C6W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 51 GLU PRO THR TYR CYS LEU CYS HIS GLN VAL SER TYR GLY SEQRES 2 A 51 GLU MET ILE GLY CYS ASP ASN PRO ASP CYS PRO ILE GLU SEQRES 3 A 51 TRP PHE HIS PHE ALA CYS VAL ASP LEU THR THR LYS PRO SEQRES 4 A 51 LYS GLY LYS TRP PHE CYS PRO ARG CYS VAL GLN GLU HET ZN A 1 1 HET ZN A 2 1 HET ALA A 116 124 ATOM 1 N GLU A 185 -7.654 26.084 -2.031 1.00 39.19 N ATOM 2 CA GLU A 185 -8.446 24.918 -2.362 1.00 37.15 C ATOM 3 C GLU A 185 -7.717 23.578 -2.074 1.00 34.26 C ATOM 4 O GLU A 185 -8.353 22.515 -2.178 1.00 35.23 O ATOM 5 CB GLU A 185 -8.892 24.957 -3.842 1.00 40.31 C ATOM 6 CG GLU A 185 -7.744 24.729 -4.787 1.00 44.48 C ATOM 7 CD GLU A 185 -8.123 24.950 -6.238 1.00 47.44 C ATOM 8 OE1 GLU A 185 -9.310 25.234 -6.505 1.00 48.64 O ATOM 9 OE2 GLU A 185 -7.234 24.840 -7.108 1.00 49.50 O ATOM 10 HA GLU A 185 -9.319 24.957 -1.711 1.00 0.00 H ATOM 11 HB2 GLU A 185 -9.640 24.181 -4.004 1.00 0.00 H ATOM 12 HB3 GLU A 185 -9.331 25.933 -4.051 1.00 0.00 H ATOM 13 HG2 GLU A 185 -6.939 25.416 -4.529 1.00 0.00 H ATOM 14 HG3 GLU A 185 -7.395 23.703 -4.670 1.00 0.00 H ATOM 15 HN3 GLU A 185 -6.778 26.077 -2.591 1.00 0.00 H ATOM 16 HN2 GLU A 185 -7.419 26.066 -1.018 1.00 0.00 H ATOM 17 HN1 GLU A 185 -8.198 26.944 -2.247 1.00 0.00 H ATOM 18 N PRO A 186 -6.388 23.542 -1.670 1.00 30.13 N ATOM 19 CA PRO A 186 -5.634 22.267 -1.421 1.00 26.52 C ATOM 20 C PRO A 186 -6.441 21.196 -0.613 1.00 22.26 C ATOM 21 O PRO A 186 -7.286 21.544 0.208 1.00 21.45 O ATOM 22 CB PRO A 186 -4.405 22.687 -0.631 1.00 27.27 C ATOM 23 CG PRO A 186 -4.280 24.148 -0.873 1.00 28.90 C ATOM 24 CD PRO A 186 -5.677 24.663 -1.031 1.00 30.04 C ATOM 25 HA PRO A 186 -5.406 21.785 -2.372 1.00 0.00 H ATOM 26 HD3 PRO A 186 -6.116 24.902 -0.062 1.00 0.00 H ATOM 27 HD2 PRO A 186 -5.696 25.549 -1.665 1.00 0.00 H ATOM 28 HG3 PRO A 186 -3.703 24.334 -1.779 1.00 0.00 H ATOM 29 HG2 PRO A 186 -3.791 24.632 -0.027 1.00 0.00 H ATOM 30 HB2 PRO A 186 -4.543 22.484 0.431 1.00 0.00 H ATOM 31 HB3 PRO A 186 -3.520 22.161 -0.989 1.00 0.00 H ATOM 32 N THR A 187 -6.147 19.923 -0.850 1.00 19.27 N ATOM 33 CA THR A 187 -6.829 18.842 -0.135 1.00 16.35 C ATOM 34 C THR A 187 -5.763 18.093 0.662 1.00 15.46 C ATOM 35 O THR A 187 -4.578 18.151 0.328 1.00 14.90 O ATOM 36 CB THR A 187 -7.552 17.872 -1.100 1.00 15.14 C ATOM 37 OG1 THR A 187 -6.631 17.373 -2.075 1.00 16.66 O ATOM 38 CG2 THR A 187 -8.698 18.586 -1.804 1.00 16.31 C ATOM 39 HA THR A 187 -7.597 19.260 0.516 1.00 0.00 H ATOM 40 HB THR A 187 -7.951 17.040 -0.520 1.00 0.00 H ATOM 41 HG1 THR A 187 -5.897 16.891 -1.618 1.00 0.00 H ATOM 42 HG23 THR A 187 -9.399 18.966 -1.061 1.00 0.00 H ATOM 43 HG21 THR A 187 -8.302 19.416 -2.390 1.00 0.00 H ATOM 44 HG22 THR A 187 -9.210 17.886 -2.464 1.00 0.00 H ATOM 45 H THR A 187 -5.420 19.689 -1.556 1.00 0.00 H ATOM 46 N TYR A 188 -6.177 17.403 1.719 1.00 12.15 N ATOM 47 CA TYR A 188 -5.219 16.684 2.557 1.00 12.26 C ATOM 48 C TYR A 188 -5.851 15.404 3.077 1.00 10.56 C ATOM 49 O TYR A 188 -6.943 15.013 2.669 1.00 9.73 O ATOM 50 CB TYR A 188 -4.833 17.527 3.778 1.00 16.37 C ATOM 51 CG TYR A 188 -4.312 18.911 3.477 1.00 19.07 C ATOM 52 CD1 TYR A 188 -5.185 19.971 3.235 1.00 21.02 C ATOM 53 CD2 TYR A 188 -2.943 19.159 3.430 1.00 21.11 C ATOM 54 CE1 TYR A 188 -4.703 21.248 2.953 1.00 23.81 C ATOM 55 CE2 TYR A 188 -2.450 20.431 3.149 1.00 24.77 C ATOM 56 CZ TYR A 188 -3.335 21.468 2.911 1.00 24.40 C ATOM 57 OH TYR A 188 -2.847 22.723 2.630 1.00 30.32 O ATOM 58 HA TYR A 188 -4.339 16.470 1.950 1.00 0.00 H ATOM 59 HB3 TYR A 188 -4.059 16.989 4.326 1.00 0.00 H ATOM 60 HB2 TYR A 188 -5.717 17.631 4.407 1.00 0.00 H ATOM 61 HD2 TYR A 188 -2.244 18.343 3.616 1.00 0.00 H ATOM 62 HE2 TYR A 188 -1.375 20.608 3.117 1.00 0.00 H ATOM 63 HE1 TYR A 188 -5.397 22.068 2.767 1.00 0.00 H ATOM 64 HD1 TYR A 188 -6.261 19.798 3.267 1.00 0.00 H ATOM 65 HH TYR A 188 -3.603 23.345 2.486 1.00 0.00 H ATOM 66 H TYR A 188 -7.190 17.374 1.952 1.00 0.00 H ATOM 67 N CYS A 189 -5.116 14.755 3.974 1.00 9.80 N ATOM 68 CA CYS A 189 -5.576 13.560 4.671 1.00 8.94 C ATOM 69 C CYS A 189 -5.770 12.362 3.738 1.00 9.95 C ATOM 70 O CYS A 189 -5.486 12.417 2.541 1.00 10.69 O ATOM 71 CB CYS A 189 -6.883 13.903 5.389 1.00 10.26 C ATOM 72 SG CYS A 189 -7.356 12.798 6.718 1.00 8.51 S ATOM 73 HA CYS A 189 -4.809 13.259 5.384 1.00 0.00 H ATOM 74 HB2 CYS A 189 -7.683 13.898 4.649 1.00 0.00 H ATOM 75 HB3 CYS A 189 -6.783 14.905 5.806 1.00 0.00 H ATOM 76 HG CYS A 189 -8.546 13.227 7.270 1.00 0.00 H ATOM 77 H CYS A 189 -4.165 15.118 4.189 1.00 0.00 H ATOM 78 N LEU A 190 -6.249 11.270 4.325 1.00 9.96 N ATOM 79 CA LEU A 190 -6.515 10.035 3.593 1.00 10.81 C ATOM 80 C LEU A 190 -7.881 10.152 2.911 1.00 10.86 C ATOM 81 O LEU A 190 -8.217 9.342 2.051 1.00 11.28 O ATOM 82 CB LEU A 190 -6.522 8.844 4.556 1.00 12.42 C ATOM 83 CG LEU A 190 -5.191 8.474 5.216 1.00 14.93 C ATOM 84 CD1 LEU A 190 -5.407 7.337 6.205 1.00 17.20 C ATOM 85 CD2 LEU A 190 -4.192 8.063 4.145 1.00 18.83 C ATOM 86 HA LEU A 190 -5.736 9.877 2.847 1.00 0.00 H ATOM 87 HB2 LEU A 190 -7.232 9.069 5.352 1.00 0.00 H ATOM 88 HB3 LEU A 190 -6.866 7.973 3.999 1.00 0.00 H ATOM 89 HG LEU A 190 -4.797 9.335 5.755 1.00 0.00 H ATOM 90 HD21 LEU A 190 -4.580 7.203 3.599 1.00 0.00 H ATOM 91 HD22 LEU A 190 -4.038 8.893 3.455 1.00 0.00 H ATOM 92 HD23 LEU A 190 -3.245 7.800 4.615 1.00 0.00 H ATOM 93 HD11 LEU A 190 -6.115 7.653 6.971 1.00 0.00 H ATOM 94 HD12 LEU A 190 -5.803 6.469 5.678 1.00 0.00 H ATOM 95 HD13 LEU A 190 -4.457 7.078 6.672 1.00 0.00 H ATOM 96 H LEU A 190 -6.442 11.296 5.347 1.00 0.00 H ATOM 97 N CYS A 191 -8.658 11.164 3.296 1.00 9.38 N ATOM 98 CA CYS A 191 -9.999 11.377 2.724 1.00 9.79 C ATOM 99 C CYS A 191 -9.916 12.337 1.530 1.00 9.80 C ATOM 100 O CYS A 191 -10.885 12.496 0.795 1.00 9.57 O ATOM 101 CB CYS A 191 -10.946 11.954 3.776 1.00 8.76 C ATOM 102 SG CYS A 191 -10.438 13.577 4.379 1.00 8.09 S ATOM 103 HA CYS A 191 -10.386 10.414 2.390 1.00 0.00 H ATOM 104 HB2 CYS A 191 -10.985 11.267 4.621 1.00 0.00 H ATOM 105 HB3 CYS A 191 -11.939 12.043 3.336 1.00 0.00 H ATOM 106 HG CYS A 191 -11.344 14.021 5.320 1.00 0.00 H ATOM 107 H CYS A 191 -8.308 11.822 4.021 1.00 0.00 H ATOM 108 N HIS A 192 -8.771 12.992 1.369 1.00 9.94 N ATOM 109 CA HIS A 192 -8.539 13.906 0.239 1.00 11.08 C ATOM 110 C HIS A 192 -9.553 15.054 0.202 1.00 11.90 C ATOM 111 O HIS A 192 -10.021 15.437 -0.873 1.00 10.95 O ATOM 112 CB HIS A 192 -8.600 13.117 -1.069 1.00 13.77 C ATOM 113 CG HIS A 192 -7.623 11.986 -1.124 1.00 14.82 C ATOM 114 ND1 HIS A 192 -6.286 12.171 -1.401 1.00 17.29 N ATOM 115 CD2 HIS A 192 -7.776 10.664 -0.873 1.00 15.53 C ATOM 116 CE1 HIS A 192 -5.656 11.013 -1.315 1.00 17.46 C ATOM 117 NE2 HIS A 192 -6.537 10.083 -0.995 1.00 17.87 N ATOM 118 HA HIS A 192 -7.552 14.351 0.368 1.00 0.00 H ATOM 119 HB2 HIS A 192 -9.606 12.712 -1.182 1.00 0.00 H ATOM 120 HB3 HIS A 192 -8.389 13.797 -1.894 1.00 0.00 H ATOM 121 HD2 HIS A 192 -8.707 10.156 -0.621 1.00 0.00 H ATOM 122 HE1 HIS A 192 -4.591 10.853 -1.480 1.00 0.00 H ATOM 123 H HIS A 192 -8.012 12.854 2.066 1.00 0.00 H ATOM 124 N GLN A 193 -9.879 15.613 1.361 1.00 9.33 N ATOM 125 CA GLN A 193 -10.825 16.732 1.411 1.00 11.02 C ATOM 126 C GLN A 193 -10.074 17.973 1.877 1.00 11.60 C ATOM 127 O GLN A 193 -8.946 17.879 2.356 1.00 11.33 O ATOM 128 CB GLN A 193 -11.974 16.428 2.372 1.00 9.41 C ATOM 129 CG GLN A 193 -12.792 15.205 1.984 1.00 9.47 C ATOM 130 CD GLN A 193 -13.338 15.288 0.572 1.00 11.98 C ATOM 131 OE1 GLN A 193 -14.080 16.212 0.233 1.00 13.21 O ATOM 132 NE2 GLN A 193 -12.973 14.321 -0.261 1.00 10.48 N ATOM 133 HA GLN A 193 -11.250 16.894 0.420 1.00 0.00 H ATOM 134 HB2 GLN A 193 -11.557 16.262 3.365 1.00 0.00 H ATOM 135 HB3 GLN A 193 -12.638 17.292 2.398 1.00 0.00 H ATOM 136 HG2 GLN A 193 -12.157 14.322 2.061 1.00 0.00 H ATOM 137 HG3 GLN A 193 -13.629 15.111 2.676 1.00 0.00 H ATOM 138 HE22 GLN A 193 -12.345 13.560 0.068 1.00 0.00 H ATOM 139 HE21 GLN A 193 -13.315 14.324 -1.243 1.00 0.00 H ATOM 140 H GLN A 193 -9.459 15.254 2.242 1.00 0.00 H ATOM 141 N VAL A 194 -10.707 19.131 1.732 1.00 11.23 N ATOM 142 CA VAL A 194 -10.091 20.393 2.136 1.00 12.89 C ATOM 143 C VAL A 194 -9.867 20.375 3.643 1.00 12.97 C ATOM 144 O VAL A 194 -10.442 19.559 4.363 1.00 13.19 O ATOM 145 CB VAL A 194 -10.988 21.598 1.780 1.00 13.47 C ATOM 146 CG1 VAL A 194 -11.172 21.684 0.272 1.00 15.26 C ATOM 147 CG2 VAL A 194 -12.338 21.468 2.475 1.00 13.00 C ATOM 148 HA VAL A 194 -9.146 20.498 1.603 1.00 0.00 H ATOM 149 HB VAL A 194 -10.507 22.513 2.124 1.00 0.00 H ATOM 150 HG11 VAL A 194 -10.200 21.807 -0.205 1.00 0.00 H ATOM 151 HG12 VAL A 194 -11.641 20.769 -0.088 1.00 0.00 H ATOM 152 HG13 VAL A 194 -11.806 22.538 0.033 1.00 0.00 H ATOM 153 HG21 VAL A 194 -12.826 20.549 2.150 1.00 0.00 H ATOM 154 HG22 VAL A 194 -12.188 21.439 3.554 1.00 0.00 H ATOM 155 HG23 VAL A 194 -12.962 22.323 2.217 1.00 0.00 H ATOM 156 H VAL A 194 -11.663 19.140 1.322 1.00 0.00 H ATOM 157 N SER A 195 -9.016 21.278 4.111 1.00 14.32 N ATOM 158 CA SER A 195 -8.717 21.387 5.532 1.00 16.12 C ATOM 159 C SER A 195 -9.976 21.870 6.258 1.00 16.46 C ATOM 160 O SER A 195 -10.748 22.662 5.721 1.00 17.38 O ATOM 161 CB SER A 195 -7.580 22.391 5.748 1.00 18.70 C ATOM 162 OG SER A 195 -7.346 22.611 7.127 1.00 23.16 O ATOM 163 HA SER A 195 -8.408 20.417 5.923 1.00 0.00 H ATOM 164 HB2 SER A 195 -7.847 23.337 5.277 1.00 0.00 H ATOM 165 HB3 SER A 195 -6.670 22.002 5.290 1.00 0.00 H ATOM 166 HG SER A 195 -7.099 21.755 7.559 1.00 0.00 H ATOM 167 H SER A 195 -8.549 21.926 3.445 1.00 0.00 H ATOM 168 N TYR A 196 -10.181 21.370 7.471 1.00 16.31 N ATOM 169 CA TYR A 196 -11.319 21.771 8.298 1.00 15.73 C ATOM 170 C TYR A 196 -11.091 21.230 9.703 1.00 15.73 C ATOM 171 O TYR A 196 -10.432 20.207 9.881 1.00 15.09 O ATOM 172 CB TYR A 196 -12.649 21.252 7.715 1.00 16.19 C ATOM 173 CG TYR A 196 -12.848 19.747 7.735 1.00 14.28 C ATOM 174 CD1 TYR A 196 -13.122 19.069 8.924 1.00 15.94 C ATOM 175 CD2 TYR A 196 -12.781 19.004 6.557 1.00 15.06 C ATOM 176 CE1 TYR A 196 -13.325 17.687 8.939 1.00 14.07 C ATOM 177 CE2 TYR A 196 -12.981 17.625 6.559 1.00 14.24 C ATOM 178 CZ TYR A 196 -13.252 16.973 7.751 1.00 14.93 C ATOM 179 OH TYR A 196 -13.447 15.611 7.754 1.00 14.76 O ATOM 180 HA TYR A 196 -11.392 22.858 8.321 1.00 0.00 H ATOM 181 HB3 TYR A 196 -12.709 21.582 6.678 1.00 0.00 H ATOM 182 HB2 TYR A 196 -13.461 21.703 8.286 1.00 0.00 H ATOM 183 HD2 TYR A 196 -12.568 19.512 5.616 1.00 0.00 H ATOM 184 HE2 TYR A 196 -12.925 17.062 5.627 1.00 0.00 H ATOM 185 HE1 TYR A 196 -13.539 17.173 9.876 1.00 0.00 H ATOM 186 HD1 TYR A 196 -13.179 19.628 9.858 1.00 0.00 H ATOM 187 HH TYR A 196 -13.628 15.307 8.678 1.00 0.00 H ATOM 188 H TYR A 196 -9.510 20.670 7.846 1.00 0.00 H ATOM 189 N GLY A 197 -11.625 21.933 10.697 1.00 14.96 N ATOM 190 CA GLY A 197 -11.466 21.506 12.076 1.00 14.53 C ATOM 191 C GLY A 197 -10.010 21.424 12.491 1.00 14.71 C ATOM 192 O GLY A 197 -9.157 22.094 11.914 1.00 15.39 O ATOM 193 HA3 GLY A 197 -11.920 20.522 12.193 1.00 0.00 H ATOM 194 HA2 GLY A 197 -11.976 22.219 12.724 1.00 0.00 H ATOM 195 H GLY A 197 -12.162 22.798 10.485 1.00 0.00 H ATOM 196 N GLU A 198 -9.728 20.601 13.496 1.00 14.58 N ATOM 197 CA GLU A 198 -8.362 20.425 13.989 1.00 15.42 C ATOM 198 C GLU A 198 -7.650 19.409 13.108 1.00 12.63 C ATOM 199 O GLU A 198 -8.204 18.364 12.772 1.00 11.83 O ATOM 200 CB GLU A 198 -8.373 20.016 15.463 1.00 19.19 C ATOM 201 CG GLU A 198 -7.551 20.923 16.365 1.00 28.44 C ATOM 202 CD GLU A 198 -7.585 20.487 17.817 1.00 31.41 C ATOM 203 OE1 GLU A 198 -8.607 19.905 18.238 1.00 34.00 O ATOM 204 OE2 GLU A 198 -6.591 20.729 18.533 1.00 35.85 O ATOM 205 HA GLU A 198 -7.815 21.366 13.934 1.00 0.00 H ATOM 206 HB2 GLU A 198 -9.405 20.028 15.814 1.00 0.00 H ATOM 207 HB3 GLU A 198 -7.975 19.004 15.541 1.00 0.00 H ATOM 208 HG2 GLU A 198 -6.517 20.913 16.021 1.00 0.00 H ATOM 209 HG3 GLU A 198 -7.946 21.936 16.295 1.00 0.00 H ATOM 210 H GLU A 198 -10.500 20.067 13.944 1.00 0.00 H ATOM 211 N MET A 199 -6.413 19.714 12.743 1.00 12.61 N ATOM 212 CA MET A 199 -5.649 18.807 11.905 1.00 12.71 C ATOM 213 C MET A 199 -4.297 18.540 12.555 1.00 12.79 C ATOM 214 O MET A 199 -3.740 19.398 13.244 1.00 12.86 O ATOM 215 CB MET A 199 -5.503 19.400 10.507 1.00 13.68 C ATOM 216 CG MET A 199 -6.850 19.462 9.784 1.00 16.10 C ATOM 217 SD MET A 199 -6.723 19.950 8.086 1.00 27.22 S ATOM 218 CE MET A 199 -6.233 18.395 7.330 1.00 17.51 C ATOM 219 HA MET A 199 -6.169 17.854 11.806 1.00 0.00 H ATOM 220 HB2 MET A 199 -5.098 20.408 10.590 1.00 0.00 H ATOM 221 HB3 MET A 199 -4.818 18.781 9.928 1.00 0.00 H ATOM 222 HG2 MET A 199 -7.487 20.179 10.302 1.00 0.00 H ATOM 223 HG3 MET A 199 -7.309 18.474 9.825 1.00 0.00 H ATOM 224 HE1 MET A 199 -5.289 18.064 7.763 1.00 0.00 H ATOM 225 HE2 MET A 199 -7.002 17.645 7.514 1.00 0.00 H ATOM 226 HE3 MET A 199 -6.112 18.537 6.256 1.00 0.00 H ATOM 227 H MET A 199 -5.987 20.609 13.059 1.00 0.00 H ATOM 228 N ILE A 200 -3.782 17.335 12.342 1.00 10.93 N ATOM 229 CA ILE A 200 -2.513 16.933 12.933 1.00 10.14 C ATOM 230 C ILE A 200 -1.505 16.661 11.819 1.00 10.59 C ATOM 231 O ILE A 200 -1.856 16.152 10.753 1.00 8.98 O ATOM 232 CB ILE A 200 -2.707 15.675 13.823 1.00 11.67 C ATOM 233 CG1 ILE A 200 -1.387 15.290 14.489 1.00 12.19 C ATOM 234 CG2 ILE A 200 -3.278 14.527 12.998 1.00 9.46 C ATOM 235 CD1 ILE A 200 -1.540 14.228 15.562 1.00 13.59 C ATOM 236 HA ILE A 200 -2.135 17.735 13.567 1.00 0.00 H ATOM 237 HB ILE A 200 -3.423 15.902 14.613 1.00 0.00 H ATOM 238 HG12 ILE A 200 -0.710 14.912 13.723 1.00 0.00 H ATOM 239 HG13 ILE A 200 -0.956 16.182 14.944 1.00 0.00 H ATOM 240 HD11 ILE A 200 -2.206 14.595 16.343 1.00 0.00 H ATOM 241 HD12 ILE A 200 -1.960 13.324 15.120 1.00 0.00 H ATOM 242 HD13 ILE A 200 -0.564 14.004 15.992 1.00 0.00 H ATOM 243 HG21 ILE A 200 -4.242 14.823 12.584 1.00 0.00 H ATOM 244 HG22 ILE A 200 -2.591 14.287 12.187 1.00 0.00 H ATOM 245 HG23 ILE A 200 -3.408 13.653 13.636 1.00 0.00 H ATOM 246 H ILE A 200 -4.297 16.662 11.739 1.00 0.00 H ATOM 247 N GLY A 201 -0.250 17.015 12.075 1.00 10.48 N ATOM 248 CA GLY A 201 0.787 16.820 11.079 1.00 10.41 C ATOM 249 C GLY A 201 1.623 15.579 11.307 1.00 9.88 C ATOM 250 O GLY A 201 1.959 15.245 12.445 1.00 11.15 O ATOM 251 HA3 GLY A 201 1.447 17.687 11.094 1.00 0.00 H ATOM 252 HA2 GLY A 201 0.314 16.742 10.100 1.00 0.00 H ATOM 253 H GLY A 201 -0.009 17.435 12.996 1.00 0.00 H ATOM 254 N CYS A 202 1.949 14.886 10.221 1.00 8.55 N ATOM 255 CA CYS A 202 2.771 13.678 10.293 1.00 8.81 C ATOM 256 C CYS A 202 4.220 14.138 10.474 1.00 9.47 C ATOM 257 O CYS A 202 4.670 15.062 9.797 1.00 10.62 O ATOM 258 CB CYS A 202 2.633 12.866 9.007 1.00 8.24 C ATOM 259 SG CYS A 202 3.614 11.361 9.020 1.00 8.15 S ATOM 260 HA CYS A 202 2.456 13.042 11.120 1.00 0.00 H ATOM 261 HB2 CYS A 202 2.955 13.484 8.169 1.00 0.00 H ATOM 262 HB3 CYS A 202 1.585 12.597 8.876 1.00 0.00 H ATOM 263 HG CYS A 202 3.436 10.687 7.829 1.00 0.00 H ATOM 264 H CYS A 202 1.610 15.212 9.293 1.00 0.00 H ATOM 265 N ASP A 203 4.954 13.486 11.370 1.00 9.55 N ATOM 266 CA ASP A 203 6.325 13.902 11.642 1.00 9.38 C ATOM 267 C ASP A 203 7.361 13.287 10.697 1.00 9.89 C ATOM 268 O ASP A 203 8.564 13.469 10.892 1.00 9.45 O ATOM 269 CB ASP A 203 6.654 13.654 13.114 1.00 11.24 C ATOM 270 CG ASP A 203 6.069 14.734 14.011 1.00 12.06 C ATOM 271 OD1 ASP A 203 5.583 14.419 15.116 1.00 14.01 O ATOM 272 OD2 ASP A 203 6.104 15.913 13.594 1.00 14.22 O ATOM 273 HA ASP A 203 6.386 14.972 11.441 1.00 0.00 H ATOM 274 HB2 ASP A 203 6.244 12.688 13.410 1.00 0.00 H ATOM 275 HB3 ASP A 203 7.737 13.641 13.237 1.00 0.00 H ATOM 276 H ASP A 203 4.549 12.675 11.880 1.00 0.00 H ATOM 277 N ASN A 204 6.910 12.559 9.680 1.00 9.51 N ATOM 278 CA ASN A 204 7.847 12.033 8.688 1.00 9.71 C ATOM 279 C ASN A 204 7.933 13.145 7.640 1.00 9.89 C ATOM 280 O ASN A 204 6.952 13.441 6.958 1.00 10.37 O ATOM 281 CB ASN A 204 7.327 10.749 8.032 1.00 9.27 C ATOM 282 CG ASN A 204 8.147 10.349 6.814 1.00 10.56 C ATOM 283 OD1 ASN A 204 9.264 10.833 6.620 1.00 10.12 O ATOM 284 ND2 ASN A 204 7.600 9.459 5.992 1.00 9.43 N ATOM 285 HA ASN A 204 8.805 11.775 9.139 1.00 0.00 H ATOM 286 HB2 ASN A 204 7.367 9.941 8.762 1.00 0.00 H ATOM 287 HB3 ASN A 204 6.294 10.907 7.723 1.00 0.00 H ATOM 288 HD22 ASN A 204 6.654 9.076 6.195 1.00 0.00 H ATOM 289 HD21 ASN A 204 8.118 9.145 5.146 1.00 0.00 H ATOM 290 H ASN A 204 5.892 12.364 9.590 1.00 0.00 H ATOM 291 N PRO A 205 9.102 13.789 7.512 1.00 10.56 N ATOM 292 CA PRO A 205 9.235 14.868 6.530 1.00 11.74 C ATOM 293 C PRO A 205 8.996 14.452 5.080 1.00 12.58 C ATOM 294 O PRO A 205 8.741 15.301 4.230 1.00 13.14 O ATOM 295 CB PRO A 205 10.653 15.383 6.775 1.00 13.65 C ATOM 296 CG PRO A 205 11.378 14.166 7.235 1.00 13.16 C ATOM 297 CD PRO A 205 10.386 13.527 8.185 1.00 10.92 C ATOM 298 HA PRO A 205 8.465 15.628 6.664 1.00 0.00 H ATOM 299 HD3 PRO A 205 10.568 12.457 8.287 1.00 0.00 H ATOM 300 HD2 PRO A 205 10.421 13.996 9.168 1.00 0.00 H ATOM 301 HG3 PRO A 205 12.302 14.429 7.750 1.00 0.00 H ATOM 302 HG2 PRO A 205 11.605 13.504 6.399 1.00 0.00 H ATOM 303 HB2 PRO A 205 11.091 15.777 5.858 1.00 0.00 H ATOM 304 HB3 PRO A 205 10.662 16.158 7.542 1.00 0.00 H ATOM 305 N ASP A 206 9.070 13.152 4.804 1.00 11.84 N ATOM 306 CA ASP A 206 8.861 12.660 3.438 1.00 12.24 C ATOM 307 C ASP A 206 7.413 12.205 3.248 1.00 12.25 C ATOM 308 O ASP A 206 7.079 11.623 2.219 1.00 11.80 O ATOM 309 CB ASP A 206 9.796 11.486 3.129 1.00 13.43 C ATOM 310 CG ASP A 206 11.261 11.871 3.185 1.00 15.40 C ATOM 311 OD1 ASP A 206 11.567 13.078 3.083 1.00 17.71 O ATOM 312 OD2 ASP A 206 12.106 10.961 3.317 1.00 17.09 O ATOM 313 HA ASP A 206 9.080 13.481 2.755 1.00 0.00 H ATOM 314 HB2 ASP A 206 9.615 10.696 3.857 1.00 0.00 H ATOM 315 HB3 ASP A 206 9.571 11.115 2.129 1.00 0.00 H ATOM 316 H ASP A 206 9.279 12.476 5.567 1.00 0.00 H ATOM 317 N CYS A 207 6.555 12.466 4.228 1.00 11.38 N ATOM 318 CA CYS A 207 5.152 12.054 4.114 1.00 10.95 C ATOM 319 C CYS A 207 4.514 12.794 2.939 1.00 11.19 C ATOM 320 O CYS A 207 4.649 14.006 2.810 1.00 12.05 O ATOM 321 CB CYS A 207 4.384 12.384 5.395 1.00 10.21 C ATOM 322 SG CYS A 207 2.668 11.810 5.368 1.00 10.58 S ATOM 323 HA CYS A 207 5.111 10.977 3.953 1.00 0.00 H ATOM 324 HB2 CYS A 207 4.385 13.466 5.531 1.00 0.00 H ATOM 325 HB3 CYS A 207 4.894 11.913 6.235 1.00 0.00 H ATOM 326 HG CYS A 207 2.053 12.148 6.556 1.00 0.00 H ATOM 327 H CYS A 207 6.880 12.965 5.081 1.00 0.00 H ATOM 328 N PRO A 208 3.809 12.065 2.063 1.00 12.67 N ATOM 329 CA PRO A 208 3.170 12.713 0.916 1.00 13.47 C ATOM 330 C PRO A 208 1.859 13.432 1.267 1.00 14.10 C ATOM 331 O PRO A 208 1.409 14.302 0.522 1.00 15.69 O ATOM 332 CB PRO A 208 2.952 11.552 -0.050 1.00 13.42 C ATOM 333 CG PRO A 208 2.676 10.409 0.871 1.00 15.20 C ATOM 334 CD PRO A 208 3.724 10.598 1.955 1.00 13.22 C ATOM 335 HA PRO A 208 3.781 13.515 0.503 1.00 0.00 H ATOM 336 HD3 PRO A 208 3.403 10.151 2.896 1.00 0.00 H ATOM 337 HD2 PRO A 208 4.681 10.168 1.658 1.00 0.00 H ATOM 338 HG3 PRO A 208 2.803 9.453 0.362 1.00 0.00 H ATOM 339 HG2 PRO A 208 1.668 10.469 1.282 1.00 0.00 H ATOM 340 HB2 PRO A 208 2.104 11.741 -0.708 1.00 0.00 H ATOM 341 HB3 PRO A 208 3.842 11.367 -0.651 1.00 0.00 H ATOM 342 N ILE A 209 1.266 13.071 2.404 1.00 12.78 N ATOM 343 CA ILE A 209 -0.013 13.653 2.848 1.00 12.12 C ATOM 344 C ILE A 209 0.239 14.856 3.775 1.00 11.66 C ATOM 345 O ILE A 209 -0.385 15.902 3.614 1.00 11.06 O ATOM 346 CB ILE A 209 -0.858 12.590 3.559 1.00 12.84 C ATOM 347 CG1 ILE A 209 -1.042 11.390 2.622 1.00 15.85 C ATOM 348 CG2 ILE A 209 -2.213 13.169 3.948 1.00 13.08 C ATOM 349 CD1 ILE A 209 -1.697 10.190 3.268 1.00 17.06 C ATOM 350 HA ILE A 209 -0.562 14.004 1.974 1.00 0.00 H ATOM 351 HB ILE A 209 -0.350 12.267 4.468 1.00 0.00 H ATOM 352 HG12 ILE A 209 -1.660 11.705 1.781 1.00 0.00 H ATOM 353 HG13 ILE A 209 -0.060 11.088 2.257 1.00 0.00 H ATOM 354 HD11 ILE A 209 -1.086 9.851 4.105 1.00 0.00 H ATOM 355 HD12 ILE A 209 -2.687 10.468 3.628 1.00 0.00 H ATOM 356 HD13 ILE A 209 -1.788 9.389 2.535 1.00 0.00 H ATOM 357 HG21 ILE A 209 -2.066 14.016 4.618 1.00 0.00 H ATOM 358 HG22 ILE A 209 -2.736 13.500 3.051 1.00 0.00 H ATOM 359 HG23 ILE A 209 -2.803 12.403 4.452 1.00 0.00 H ATOM 360 H ILE A 209 1.723 12.352 3.000 1.00 0.00 H ATOM 361 N GLU A 210 1.120 14.679 4.758 1.00 11.58 N ATOM 362 CA GLU A 210 1.540 15.754 5.685 1.00 11.43 C ATOM 363 C GLU A 210 0.515 16.150 6.755 1.00 11.85 C ATOM 364 O GLU A 210 0.879 16.254 7.927 1.00 12.12 O ATOM 365 CB GLU A 210 1.942 17.001 4.896 1.00 14.81 C ATOM 366 CG GLU A 210 2.988 16.735 3.826 1.00 19.21 C ATOM 367 CD GLU A 210 3.422 18.003 3.116 1.00 24.49 C ATOM 368 OE1 GLU A 210 4.146 18.812 3.730 1.00 26.77 O ATOM 369 OE2 GLU A 210 3.029 18.192 1.947 1.00 28.38 O ATOM 370 HA GLU A 210 2.383 15.329 6.229 1.00 0.00 H ATOM 371 HB2 GLU A 210 1.052 17.406 4.415 1.00 0.00 H ATOM 372 HB3 GLU A 210 2.342 17.736 5.594 1.00 0.00 H ATOM 373 HG2 GLU A 210 3.860 16.279 4.294 1.00 0.00 H ATOM 374 HG3 GLU A 210 2.571 16.047 3.091 1.00 0.00 H ATOM 375 H GLU A 210 1.536 13.734 4.881 1.00 0.00 H ATOM 376 N TRP A 211 -0.734 16.403 6.372 1.00 9.79 N ATOM 377 CA TRP A 211 -1.747 16.826 7.356 1.00 10.41 C ATOM 378 C TRP A 211 -2.999 15.950 7.270 1.00 10.77 C ATOM 379 O TRP A 211 -3.420 15.555 6.186 1.00 9.21 O ATOM 380 CB TRP A 211 -2.115 18.296 7.140 1.00 11.06 C ATOM 381 CG TRP A 211 -0.995 19.225 7.480 1.00 11.60 C ATOM 382 CD1 TRP A 211 -0.044 19.714 6.631 1.00 13.53 C ATOM 383 CD2 TRP A 211 -0.669 19.724 8.781 1.00 12.42 C ATOM 384 NE1 TRP A 211 0.859 20.489 7.326 1.00 12.85 N ATOM 385 CE2 TRP A 211 0.497 20.511 8.648 1.00 12.44 C ATOM 386 CE3 TRP A 211 -1.248 19.582 10.050 1.00 11.41 C ATOM 387 CZ2 TRP A 211 1.096 21.155 9.736 1.00 13.41 C ATOM 388 CZ3 TRP A 211 -0.651 20.222 11.133 1.00 12.46 C ATOM 389 CH2 TRP A 211 0.510 20.999 10.966 1.00 12.93 C ATOM 390 HA TRP A 211 -1.319 16.710 8.352 1.00 0.00 H ATOM 391 HB2 TRP A 211 -2.382 18.439 6.093 1.00 0.00 H ATOM 392 HB3 TRP A 211 -2.972 18.538 7.768 1.00 0.00 H ATOM 393 HE1 TRP A 211 1.680 20.977 6.915 1.00 0.00 H ATOM 394 HD1 TRP A 211 -0.005 19.520 5.559 1.00 0.00 H ATOM 395 HZ2 TRP A 211 1.995 21.758 9.611 1.00 0.00 H ATOM 396 HH2 TRP A 211 0.953 21.488 11.833 1.00 0.00 H ATOM 397 HZ3 TRP A 211 -1.090 20.119 12.125 1.00 0.00 H ATOM 398 HE3 TRP A 211 -2.148 18.982 10.186 1.00 0.00 H ATOM 399 H TRP A 211 -0.997 16.302 5.371 1.00 0.00 H ATOM 400 N PHE A 212 -3.594 15.674 8.431 1.00 11.04 N ATOM 401 CA PHE A 212 -4.783 14.813 8.518 1.00 9.96 C ATOM 402 C PHE A 212 -5.827 15.427 9.462 1.00 10.49 C ATOM 403 O PHE A 212 -5.482 16.116 10.418 1.00 9.90 O ATOM 404 CB PHE A 212 -4.393 13.439 9.072 1.00 10.67 C ATOM 405 CG PHE A 212 -3.338 12.734 8.269 1.00 11.02 C ATOM 406 CD1 PHE A 212 -2.025 13.203 8.247 1.00 10.05 C ATOM 407 CD2 PHE A 212 -3.664 11.618 7.509 1.00 11.66 C ATOM 408 CE1 PHE A 212 -1.053 12.568 7.473 1.00 11.80 C ATOM 409 CE2 PHE A 212 -2.700 10.977 6.734 1.00 12.65 C ATOM 410 CZ PHE A 212 -1.395 11.453 6.717 1.00 11.06 C ATOM 411 HA PHE A 212 -5.202 14.716 7.516 1.00 0.00 H ATOM 412 HB2 PHE A 212 -4.020 13.572 10.087 1.00 0.00 H ATOM 413 HB3 PHE A 212 -5.284 12.812 9.093 1.00 0.00 H ATOM 414 HD2 PHE A 212 -4.686 11.239 7.519 1.00 0.00 H ATOM 415 HE2 PHE A 212 -2.969 10.103 6.141 1.00 0.00 H ATOM 416 HZ PHE A 212 -0.640 10.952 6.111 1.00 0.00 H ATOM 417 HE1 PHE A 212 -0.030 12.945 7.461 1.00 0.00 H ATOM 418 HD1 PHE A 212 -1.755 14.076 8.841 1.00 0.00 H ATOM 419 H PHE A 212 -3.204 16.082 9.305 1.00 0.00 H ATOM 420 N HIS A 213 -7.100 15.153 9.189 1.00 9.57 N ATOM 421 CA HIS A 213 -8.193 15.634 10.047 1.00 10.25 C ATOM 422 C HIS A 213 -8.179 14.732 11.287 1.00 10.67 C ATOM 423 O HIS A 213 -8.004 13.521 11.170 1.00 10.43 O ATOM 424 CB HIS A 213 -9.504 15.695 9.261 1.00 9.86 C ATOM 425 CG HIS A 213 -9.454 16.639 8.033 1.00 10.80 C ATOM 426 ND1 HIS A 213 -9.270 16.179 6.748 1.00 10.53 N ATOM 427 CD2 HIS A 213 -9.566 17.985 7.942 1.00 5.84 C ATOM 428 CE1 HIS A 213 -9.270 17.203 5.913 1.00 7.91 C ATOM 429 NE2 HIS A 213 -9.448 18.310 6.612 1.00 11.90 N ATOM 430 HA HIS A 213 -8.070 16.663 10.386 1.00 0.00 H ATOM 431 HB2 HIS A 213 -9.743 14.690 8.913 1.00 0.00 H ATOM 432 HB3 HIS A 213 -10.291 16.043 9.931 1.00 0.00 H ATOM 433 HD2 HIS A 213 -9.721 18.680 8.768 1.00 0.00 H ATOM 434 HE1 HIS A 213 -9.145 17.144 4.832 1.00 0.00 H ATOM 435 H HIS A 213 -7.328 14.585 8.348 1.00 0.00 H ATOM 436 N PHE A 214 -8.376 15.317 12.465 1.00 11.09 N ATOM 437 CA PHE A 214 -8.363 14.554 13.723 1.00 13.02 C ATOM 438 C PHE A 214 -9.238 13.292 13.653 1.00 13.34 C ATOM 439 O PHE A 214 -8.765 12.194 13.937 1.00 13.40 O ATOM 440 CB PHE A 214 -8.852 15.420 14.892 1.00 14.27 C ATOM 441 CG PHE A 214 -7.751 16.125 15.640 1.00 15.32 C ATOM 442 CD1 PHE A 214 -7.944 16.517 16.962 1.00 17.59 C ATOM 443 CD2 PHE A 214 -6.532 16.408 15.031 1.00 15.08 C ATOM 444 CE1 PHE A 214 -6.940 17.178 17.668 1.00 16.70 C ATOM 445 CE2 PHE A 214 -5.522 17.070 15.729 1.00 16.33 C ATOM 446 CZ PHE A 214 -5.729 17.455 17.051 1.00 17.91 C ATOM 447 HA PHE A 214 -7.328 14.252 13.883 1.00 0.00 H ATOM 448 HB2 PHE A 214 -9.535 16.173 14.498 1.00 0.00 H ATOM 449 HB3 PHE A 214 -9.386 14.779 15.593 1.00 0.00 H ATOM 450 HD2 PHE A 214 -6.365 16.109 13.996 1.00 0.00 H ATOM 451 HE2 PHE A 214 -4.572 17.286 15.240 1.00 0.00 H ATOM 452 HZ PHE A 214 -4.942 17.972 17.599 1.00 0.00 H ATOM 453 HE1 PHE A 214 -7.106 17.477 18.703 1.00 0.00 H ATOM 454 HD1 PHE A 214 -8.894 16.304 17.452 1.00 0.00 H ATOM 455 H PHE A 214 -8.544 16.343 12.498 1.00 0.00 H ATOM 456 N ALA A 215 -10.506 13.453 13.283 1.00 14.97 N ATOM 457 CA ALA A 215 -11.452 12.321 13.237 1.00 16.20 C ATOM 458 C ALA A 215 -10.994 11.224 12.275 1.00 16.96 C ATOM 459 O ALA A 215 -11.167 10.036 12.557 1.00 17.31 O ATOM 460 CB ALA A 215 -12.841 12.812 12.843 1.00 16.34 C ATOM 461 HA ALA A 215 -11.487 11.887 14.236 1.00 0.00 H ATOM 462 HB1 ALA A 215 -13.189 13.540 13.576 1.00 0.00 H ATOM 463 HB2 ALA A 215 -12.794 13.279 11.859 1.00 0.00 H ATOM 464 HB3 ALA A 215 -13.529 11.967 12.813 1.00 0.00 H ATOM 465 H ALA A 215 -10.839 14.402 13.019 1.00 0.00 H ATOM 466 N CYS A 216 -10.415 11.610 11.145 1.00 16.10 N ATOM 467 CA CYS A 216 -9.972 10.624 10.163 1.00 14.74 C ATOM 468 C CYS A 216 -8.881 9.720 10.756 1.00 15.07 C ATOM 469 O CYS A 216 -8.683 8.600 10.285 1.00 14.42 O ATOM 470 CB CYS A 216 -9.481 11.329 8.894 1.00 13.76 C ATOM 471 SG CYS A 216 -10.814 12.166 7.978 1.00 10.97 S ATOM 472 HA CYS A 216 -10.817 9.989 9.895 1.00 0.00 H ATOM 473 HB2 CYS A 216 -9.024 10.587 8.240 1.00 0.00 H ATOM 474 HB3 CYS A 216 -8.735 12.072 9.176 1.00 0.00 H ATOM 475 HG CYS A 216 -11.397 13.120 8.787 1.00 0.00 H ATOM 476 H CYS A 216 -10.276 12.623 10.957 1.00 0.00 H ATOM 477 N VAL A 217 -8.179 10.193 11.784 1.00 15.12 N ATOM 478 CA VAL A 217 -7.135 9.372 12.410 1.00 16.26 C ATOM 479 C VAL A 217 -7.553 9.007 13.843 1.00 18.73 C ATOM 480 O VAL A 217 -6.715 8.708 14.693 1.00 19.08 O ATOM 481 CB VAL A 217 -5.758 10.086 12.418 1.00 16.23 C ATOM 482 CG1 VAL A 217 -5.213 10.161 10.999 1.00 17.28 C ATOM 483 CG2 VAL A 217 -5.883 11.477 13.009 1.00 16.66 C ATOM 484 HA VAL A 217 -7.024 8.464 11.817 1.00 0.00 H ATOM 485 HB VAL A 217 -5.067 9.514 13.037 1.00 0.00 H ATOM 486 HG11 VAL A 217 -5.096 9.153 10.602 1.00 0.00 H ATOM 487 HG12 VAL A 217 -5.908 10.721 10.373 1.00 0.00 H ATOM 488 HG13 VAL A 217 -4.246 10.663 11.009 1.00 0.00 H ATOM 489 HG21 VAL A 217 -6.582 12.063 12.412 1.00 0.00 H ATOM 490 HG22 VAL A 217 -6.250 11.404 14.033 1.00 0.00 H ATOM 491 HG23 VAL A 217 -4.906 11.961 13.006 1.00 0.00 H ATOM 492 H VAL A 217 -8.371 11.149 12.145 1.00 0.00 H ATOM 493 N ASP A 218 -8.861 9.045 14.085 1.00 20.29 N ATOM 494 CA ASP A 218 -9.467 8.679 15.377 1.00 22.99 C ATOM 495 C ASP A 218 -8.874 9.454 16.556 1.00 23.84 C ATOM 496 O ASP A 218 -8.611 8.872 17.610 1.00 24.35 O ATOM 497 CB ASP A 218 -9.299 7.178 15.618 1.00 25.81 C ATOM 498 CG ASP A 218 -9.771 6.350 14.443 1.00 29.05 C ATOM 499 OD1 ASP A 218 -10.802 6.716 13.839 1.00 31.61 O ATOM 500 OD2 ASP A 218 -9.114 5.337 14.121 1.00 31.80 O ATOM 501 HA ASP A 218 -10.523 8.942 15.318 1.00 0.00 H ATOM 502 HB2 ASP A 218 -8.244 6.967 15.794 1.00 0.00 H ATOM 503 HB3 ASP A 218 -9.876 6.898 16.499 1.00 0.00 H ATOM 504 H ASP A 218 -9.492 9.351 13.317 1.00 0.00 H ATOM 505 N LEU A 219 -8.685 10.757 16.395 1.00 21.95 N ATOM 506 CA LEU A 219 -8.142 11.568 17.483 1.00 21.52 C ATOM 507 C LEU A 219 -9.215 12.532 17.969 1.00 21.57 C ATOM 508 O LEU A 219 -9.926 13.140 17.171 1.00 21.02 O ATOM 509 CB LEU A 219 -6.924 12.367 17.015 1.00 18.89 C ATOM 510 CG LEU A 219 -5.673 11.571 16.651 1.00 21.17 C ATOM 511 CD1 LEU A 219 -4.585 12.530 16.188 1.00 20.81 C ATOM 512 CD2 LEU A 219 -5.204 10.765 17.853 1.00 21.99 C ATOM 513 HA LEU A 219 -7.832 10.904 18.290 1.00 0.00 H ATOM 514 HB2 LEU A 219 -7.221 12.935 16.133 1.00 0.00 H ATOM 515 HB3 LEU A 219 -6.655 13.056 17.815 1.00 0.00 H ATOM 516 HG LEU A 219 -5.900 10.877 15.842 1.00 0.00 H ATOM 517 HD21 LEU A 219 -4.973 11.442 18.675 1.00 0.00 H ATOM 518 HD22 LEU A 219 -5.993 10.077 18.158 1.00 0.00 H ATOM 519 HD23 LEU A 219 -4.311 10.200 17.584 1.00 0.00 H ATOM 520 HD11 LEU A 219 -4.935 13.081 15.315 1.00 0.00 H ATOM 521 HD12 LEU A 219 -4.353 13.229 16.991 1.00 0.00 H ATOM 522 HD13 LEU A 219 -3.691 11.964 15.927 1.00 0.00 H ATOM 523 H LEU A 219 -8.925 11.205 15.488 1.00 0.00 H ATOM 524 N THR A 220 -9.330 12.655 19.287 1.00 21.67 N ATOM 525 CA THR A 220 -10.291 13.572 19.894 1.00 22.21 C ATOM 526 C THR A 220 -9.479 14.724 20.482 1.00 21.62 C ATOM 527 O THR A 220 -9.895 15.876 20.447 1.00 22.87 O ATOM 528 CB THR A 220 -11.095 12.893 21.020 1.00 23.06 C ATOM 529 OG1 THR A 220 -11.834 11.789 20.483 1.00 25.13 O ATOM 530 CG2 THR A 220 -12.064 13.882 21.648 1.00 24.35 C ATOM 531 HA THR A 220 -11.007 13.909 19.144 1.00 0.00 H ATOM 532 HB THR A 220 -10.400 12.540 21.782 1.00 0.00 H ATOM 533 HG1 THR A 220 -11.206 11.135 20.086 1.00 0.00 H ATOM 534 HG23 THR A 220 -11.507 14.724 22.058 1.00 0.00 H ATOM 535 HG21 THR A 220 -12.759 14.240 20.888 1.00 0.00 H ATOM 536 HG22 THR A 220 -12.619 13.388 22.446 1.00 0.00 H ATOM 537 H THR A 220 -8.719 12.082 19.903 1.00 0.00 H ATOM 538 N THR A 221 -8.313 14.384 21.021 1.00 23.54 N ATOM 539 CA THR A 221 -7.398 15.366 21.609 1.00 25.13 C ATOM 540 C THR A 221 -6.023 15.108 20.999 1.00 26.81 C ATOM 541 O THR A 221 -5.686 13.967 20.690 1.00 27.30 O ATOM 542 CB THR A 221 -7.299 15.212 23.140 1.00 24.56 C ATOM 543 OG1 THR A 221 -6.860 13.887 23.464 1.00 23.45 O ATOM 544 CG2 THR A 221 -8.646 15.468 23.786 1.00 24.20 C ATOM 545 HA THR A 221 -7.763 16.372 21.403 1.00 0.00 H ATOM 546 HB THR A 221 -6.581 15.940 23.518 1.00 0.00 H ATOM 547 HG1 THR A 221 -5.971 13.727 23.059 1.00 0.00 H ATOM 548 HG23 THR A 221 -8.980 16.476 23.540 1.00 0.00 H ATOM 549 HG21 THR A 221 -9.370 14.743 23.414 1.00 0.00 H ATOM 550 HG22 THR A 221 -8.554 15.369 24.868 1.00 0.00 H ATOM 551 H THR A 221 -8.039 13.381 21.026 1.00 0.00 H ATOM 552 N LYS A 222 -5.231 16.159 20.828 1.00 29.70 N ATOM 553 CA LYS A 222 -3.908 15.995 20.232 1.00 31.69 C ATOM 554 C LYS A 222 -3.066 15.086 21.120 1.00 31.95 C ATOM 555 O LYS A 222 -3.045 15.232 22.343 1.00 31.36 O ATOM 556 CB LYS A 222 -3.207 17.346 20.061 1.00 34.50 C ATOM 557 CG LYS A 222 -2.679 17.963 21.342 1.00 37.75 C ATOM 558 CD LYS A 222 -1.820 19.180 21.032 1.00 41.03 C ATOM 559 CE LYS A 222 -1.203 19.766 22.291 1.00 42.56 C ATOM 560 NZ LYS A 222 -0.318 20.924 21.978 1.00 45.00 N ATOM 561 HA LYS A 222 -4.025 15.548 19.245 1.00 0.00 H ATOM 562 HB2 LYS A 222 -2.366 17.207 19.381 1.00 0.00 H ATOM 563 HB3 LYS A 222 -3.919 18.043 19.619 1.00 0.00 H ATOM 564 HG2 LYS A 222 -3.519 18.266 21.967 1.00 0.00 H ATOM 565 HG3 LYS A 222 -2.078 17.226 21.875 1.00 0.00 H ATOM 566 HD2 LYS A 222 -1.022 18.885 20.351 1.00 0.00 H ATOM 567 HD3 LYS A 222 -2.441 19.939 20.556 1.00 0.00 H ATOM 568 HE2 LYS A 222 -0.615 18.995 22.789 1.00 0.00 H ATOM 569 HE3 LYS A 222 -2.001 20.099 22.955 1.00 0.00 H ATOM 570 HZ1 LYS A 222 0.449 20.612 21.349 1.00 0.00 H ATOM 571 HZ2 LYS A 222 -0.874 21.666 21.507 1.00 0.00 H ATOM 572 HZ3 LYS A 222 0.086 21.299 22.860 1.00 0.00 H ATOM 573 H LYS A 222 -5.554 17.104 21.120 1.00 0.00 H ATOM 574 N PRO A 223 -2.369 14.120 20.509 1.00 32.03 N ATOM 575 CA PRO A 223 -1.524 13.192 21.261 1.00 31.83 C ATOM 576 C PRO A 223 -0.270 13.897 21.778 1.00 31.67 C ATOM 577 O PRO A 223 0.031 15.021 21.376 1.00 29.68 O ATOM 578 CB PRO A 223 -1.206 12.112 20.232 1.00 32.79 C ATOM 579 CG PRO A 223 -1.168 12.885 18.952 1.00 33.22 C ATOM 580 CD PRO A 223 -2.375 13.782 19.074 1.00 32.20 C ATOM 581 HA PRO A 223 -1.998 12.785 22.154 1.00 0.00 H ATOM 582 HD3 PRO A 223 -2.268 14.674 18.457 1.00 0.00 H ATOM 583 HD2 PRO A 223 -3.288 13.256 18.795 1.00 0.00 H ATOM 584 HG3 PRO A 223 -1.254 12.224 18.090 1.00 0.00 H ATOM 585 HG2 PRO A 223 -0.251 13.468 18.871 1.00 0.00 H ATOM 586 HB2 PRO A 223 -0.244 11.643 20.438 1.00 0.00 H ATOM 587 HB3 PRO A 223 -1.984 11.349 20.209 1.00 0.00 H ATOM 588 N LYS A 224 0.451 13.233 22.673 1.00 31.80 N ATOM 589 CA LYS A 224 1.670 13.800 23.239 1.00 32.47 C ATOM 590 C LYS A 224 2.858 13.214 22.478 1.00 31.43 C ATOM 591 O LYS A 224 2.865 12.033 22.138 1.00 33.59 O ATOM 592 CB LYS A 224 1.781 13.442 24.725 1.00 35.33 C ATOM 593 CG LYS A 224 0.533 13.750 25.546 1.00 37.59 C ATOM 594 CD LYS A 224 0.193 15.233 25.535 1.00 40.08 C ATOM 595 CE LYS A 224 -1.046 15.517 26.372 1.00 41.32 C ATOM 596 NZ LYS A 224 -1.419 16.959 26.345 1.00 42.99 N ATOM 597 HA LYS A 224 1.654 14.886 23.149 1.00 0.00 H ATOM 598 HB2 LYS A 224 1.985 12.374 24.804 1.00 0.00 H ATOM 599 HB3 LYS A 224 2.614 14.002 25.149 1.00 0.00 H ATOM 600 HG2 LYS A 224 -0.307 13.193 25.131 1.00 0.00 H ATOM 601 HG3 LYS A 224 0.703 13.436 26.576 1.00 0.00 H ATOM 602 HD2 LYS A 224 1.034 15.794 25.942 1.00 0.00 H ATOM 603 HD3 LYS A 224 0.009 15.549 24.508 1.00 0.00 H ATOM 604 HE2 LYS A 224 -0.849 15.223 27.403 1.00 0.00 H ATOM 605 HE3 LYS A 224 -1.877 14.931 25.981 1.00 0.00 H ATOM 606 HZ1 LYS A 224 -0.634 17.526 26.723 1.00 0.00 H ATOM 607 HZ2 LYS A 224 -1.615 17.247 25.365 1.00 0.00 H ATOM 608 HZ3 LYS A 224 -2.268 17.107 26.928 1.00 0.00 H ATOM 609 H LYS A 224 0.140 12.288 22.977 1.00 0.00 H ATOM 610 N GLY A 225 3.857 14.046 22.208 1.00 28.86 N ATOM 611 CA GLY A 225 5.029 13.573 21.495 1.00 26.88 C ATOM 612 C GLY A 225 4.848 13.506 19.990 1.00 25.65 C ATOM 613 O GLY A 225 3.827 13.937 19.457 1.00 23.14 O ATOM 614 HA3 GLY A 225 5.271 12.574 21.857 1.00 0.00 H ATOM 615 HA2 GLY A 225 5.858 14.247 21.712 1.00 0.00 H ATOM 616 H GLY A 225 3.799 15.040 22.509 1.00 0.00 H ATOM 617 N LYS A 226 5.851 12.958 19.310 1.00 24.69 N ATOM 618 CA LYS A 226 5.837 12.827 17.849 1.00 23.30 C ATOM 619 C LYS A 226 4.647 11.977 17.425 1.00 21.48 C ATOM 620 O LYS A 226 4.162 11.143 18.184 1.00 22.70 O ATOM 621 CB LYS A 226 7.121 12.152 17.365 1.00 25.81 C ATOM 622 CG LYS A 226 8.367 13.001 17.477 1.00 30.21 C ATOM 623 CD LYS A 226 8.346 14.168 16.516 1.00 35.14 C ATOM 624 CE LYS A 226 9.661 14.925 16.573 1.00 37.16 C ATOM 625 NZ LYS A 226 9.668 16.094 15.659 1.00 42.29 N ATOM 626 HA LYS A 226 5.763 13.822 17.411 1.00 0.00 H ATOM 627 HB2 LYS A 226 7.272 11.248 17.955 1.00 0.00 H ATOM 628 HB3 LYS A 226 6.988 11.882 16.317 1.00 0.00 H ATOM 629 HG2 LYS A 226 8.442 13.384 18.495 1.00 0.00 H ATOM 630 HG3 LYS A 226 9.236 12.381 17.259 1.00 0.00 H ATOM 631 HD2 LYS A 226 8.189 13.797 15.503 1.00 0.00 H ATOM 632 HD3 LYS A 226 7.532 14.841 16.786 1.00 0.00 H ATOM 633 HE2 LYS A 226 10.469 14.250 16.289 1.00 0.00 H ATOM 634 HE3 LYS A 226 9.823 15.274 17.593 1.00 0.00 H ATOM 635 HZ1 LYS A 226 9.521 15.769 14.682 1.00 0.00 H ATOM 636 HZ2 LYS A 226 8.904 16.747 15.927 1.00 0.00 H ATOM 637 HZ3 LYS A 226 10.584 16.582 15.729 1.00 0.00 H ATOM 638 H LYS A 226 6.678 12.608 19.835 1.00 0.00 H ATOM 639 N TRP A 227 4.187 12.190 16.196 1.00 17.90 N ATOM 640 CA TRP A 227 3.059 11.432 15.658 1.00 15.19 C ATOM 641 C TRP A 227 3.343 11.126 14.195 1.00 13.72 C ATOM 642 O TRP A 227 3.747 12.008 13.441 1.00 11.84 O ATOM 643 CB TRP A 227 1.765 12.241 15.741 1.00 14.92 C ATOM 644 CG TRP A 227 0.564 11.498 15.216 1.00 14.43 C ATOM 645 CD1 TRP A 227 -0.178 10.567 15.882 1.00 16.54 C ATOM 646 CD2 TRP A 227 -0.011 11.606 13.906 1.00 14.46 C ATOM 647 NE1 TRP A 227 -1.181 10.089 15.072 1.00 18.06 N ATOM 648 CE2 TRP A 227 -1.101 10.709 13.853 1.00 15.40 C ATOM 649 CE3 TRP A 227 0.290 12.373 12.772 1.00 12.73 C ATOM 650 CZ2 TRP A 227 -1.893 10.557 12.709 1.00 14.55 C ATOM 651 CZ3 TRP A 227 -0.498 12.223 11.633 1.00 13.34 C ATOM 652 CH2 TRP A 227 -1.577 11.320 11.612 1.00 13.91 C ATOM 653 HA TRP A 227 2.938 10.518 16.240 1.00 0.00 H ATOM 654 HB2 TRP A 227 1.584 12.499 16.784 1.00 0.00 H ATOM 655 HB3 TRP A 227 1.889 13.154 15.159 1.00 0.00 H ATOM 656 HE1 TRP A 227 -1.886 9.373 15.341 1.00 0.00 H ATOM 657 HD1 TRP A 227 -0.001 10.248 16.909 1.00 0.00 H ATOM 658 HZ2 TRP A 227 -2.730 9.859 12.690 1.00 0.00 H ATOM 659 HH2 TRP A 227 -2.175 11.224 10.706 1.00 0.00 H ATOM 660 HZ3 TRP A 227 -0.275 12.814 10.745 1.00 0.00 H ATOM 661 HE3 TRP A 227 1.125 13.074 12.781 1.00 0.00 H ATOM 662 H TRP A 227 4.641 12.914 15.603 1.00 0.00 H ATOM 663 N PHE A 228 3.137 9.872 13.807 1.00 12.33 N ATOM 664 CA PHE A 228 3.330 9.450 12.420 1.00 10.83 C ATOM 665 C PHE A 228 2.001 8.863 11.953 1.00 11.24 C ATOM 666 O PHE A 228 1.351 8.113 12.686 1.00 10.40 O ATOM 667 CB PHE A 228 4.460 8.422 12.310 1.00 11.17 C ATOM 668 CG PHE A 228 5.812 8.976 12.667 1.00 10.88 C ATOM 669 CD1 PHE A 228 6.246 8.994 13.990 1.00 12.02 C ATOM 670 CD2 PHE A 228 6.637 9.514 11.684 1.00 11.49 C ATOM 671 CE1 PHE A 228 7.483 9.541 14.328 1.00 12.14 C ATOM 672 CE2 PHE A 228 7.878 10.065 12.010 1.00 12.13 C ATOM 673 CZ PHE A 228 8.301 10.077 13.336 1.00 12.09 C ATOM 674 HA PHE A 228 3.621 10.293 11.793 1.00 0.00 H ATOM 675 HB2 PHE A 228 4.239 7.592 12.981 1.00 0.00 H ATOM 676 HB3 PHE A 228 4.496 8.057 11.283 1.00 0.00 H ATOM 677 HD2 PHE A 228 6.310 9.505 10.644 1.00 0.00 H ATOM 678 HE2 PHE A 228 8.513 10.484 11.229 1.00 0.00 H ATOM 679 HZ PHE A 228 9.269 10.504 13.597 1.00 0.00 H ATOM 680 HE1 PHE A 228 7.810 9.549 15.368 1.00 0.00 H ATOM 681 HD1 PHE A 228 5.611 8.575 14.771 1.00 0.00 H ATOM 682 H PHE A 228 2.830 9.170 14.510 1.00 0.00 H ATOM 683 N CYS A 229 1.605 9.216 10.735 1.00 10.21 N ATOM 684 CA CYS A 229 0.327 8.782 10.166 1.00 10.87 C ATOM 685 C CYS A 229 0.326 7.276 9.865 1.00 11.65 C ATOM 686 O CYS A 229 1.369 6.623 9.855 1.00 10.37 O ATOM 687 CB CYS A 229 0.027 9.574 8.892 1.00 9.26 C ATOM 688 SG CYS A 229 0.931 9.043 7.421 1.00 9.84 S ATOM 689 HA CYS A 229 -0.452 8.974 10.904 1.00 0.00 H ATOM 690 HB2 CYS A 229 0.273 10.619 9.079 1.00 0.00 H ATOM 691 HB3 CYS A 229 -1.039 9.485 8.683 1.00 0.00 H ATOM 692 HG CYS A 229 2.287 9.164 7.648 1.00 0.00 H ATOM 693 H CYS A 229 2.226 9.824 10.164 1.00 0.00 H ATOM 694 N PRO A 230 -0.866 6.712 9.611 1.00 12.17 N ATOM 695 CA PRO A 230 -1.026 5.285 9.310 1.00 12.99 C ATOM 696 C PRO A 230 -0.198 4.817 8.117 1.00 13.81 C ATOM 697 O PRO A 230 0.346 3.716 8.116 1.00 15.08 O ATOM 698 CB PRO A 230 -2.526 5.157 9.043 1.00 14.51 C ATOM 699 CG PRO A 230 -3.115 6.221 9.921 1.00 14.02 C ATOM 700 CD PRO A 230 -2.179 7.381 9.674 1.00 12.82 C ATOM 701 HA PRO A 230 -0.669 4.654 10.124 1.00 0.00 H ATOM 702 HD3 PRO A 230 -2.412 7.885 8.736 1.00 0.00 H ATOM 703 HD2 PRO A 230 -2.217 8.101 10.491 1.00 0.00 H ATOM 704 HG3 PRO A 230 -3.107 5.921 10.969 1.00 0.00 H ATOM 705 HG2 PRO A 230 -4.135 6.463 9.622 1.00 0.00 H ATOM 706 HB2 PRO A 230 -2.755 5.343 7.994 1.00 0.00 H ATOM 707 HB3 PRO A 230 -2.892 4.169 9.324 1.00 0.00 H ATOM 708 N ARG A 231 -0.110 5.669 7.104 1.00 13.38 N ATOM 709 CA ARG A 231 0.625 5.351 5.887 1.00 14.05 C ATOM 710 C ARG A 231 2.124 5.223 6.186 1.00 13.21 C ATOM 711 O ARG A 231 2.773 4.277 5.742 1.00 13.99 O ATOM 712 CB ARG A 231 0.359 6.443 4.842 1.00 15.37 C ATOM 713 CG ARG A 231 1.105 6.301 3.529 1.00 20.06 C ATOM 714 CD ARG A 231 2.502 6.864 3.644 1.00 24.33 C ATOM 715 NE ARG A 231 3.196 6.889 2.363 1.00 26.31 N ATOM 716 CZ ARG A 231 4.476 7.214 2.226 1.00 27.20 C ATOM 717 NH1 ARG A 231 5.192 7.537 3.295 1.00 23.80 N ATOM 718 NH2 ARG A 231 5.038 7.216 1.025 1.00 28.39 N ATOM 719 HA ARG A 231 0.286 4.393 5.492 1.00 0.00 H ATOM 720 HB2 ARG A 231 -0.708 6.441 4.622 1.00 0.00 H ATOM 721 HB3 ARG A 231 0.636 7.401 5.282 1.00 0.00 H ATOM 722 HG2 ARG A 231 1.165 5.245 3.264 1.00 0.00 H ATOM 723 HG3 ARG A 231 0.565 6.840 2.750 1.00 0.00 H ATOM 724 HD2 ARG A 231 3.072 6.248 4.340 1.00 0.00 H ATOM 725 HD3 ARG A 231 2.439 7.882 4.029 1.00 0.00 H ATOM 726 HE ARG A 231 2.659 6.638 1.508 1.00 0.00 H ATOM 727 HH12 ARG A 231 6.195 7.792 3.191 1.00 0.00 H ATOM 728 HH11 ARG A 231 4.750 7.535 4.237 1.00 0.00 H ATOM 729 HH22 ARG A 231 6.041 7.471 0.921 1.00 0.00 H ATOM 730 HH21 ARG A 231 4.476 6.963 0.187 1.00 0.00 H ATOM 731 H ARG A 231 -0.581 6.593 7.181 1.00 0.00 H ATOM 732 N CYS A 232 2.666 6.158 6.959 1.00 10.54 N ATOM 733 CA CYS A 232 4.095 6.146 7.263 1.00 11.74 C ATOM 734 C CYS A 232 4.465 5.057 8.267 1.00 13.00 C ATOM 735 O CYS A 232 5.580 4.545 8.232 1.00 14.24 O ATOM 736 CB CYS A 232 4.531 7.522 7.763 1.00 11.05 C ATOM 737 SG CYS A 232 4.445 8.762 6.448 1.00 10.53 S ATOM 738 HA CYS A 232 4.629 5.914 6.342 1.00 0.00 H ATOM 739 HB2 CYS A 232 5.557 7.459 8.125 1.00 0.00 H ATOM 740 HB3 CYS A 232 3.877 7.826 8.580 1.00 0.00 H ATOM 741 HG CYS A 232 4.847 9.985 6.945 1.00 0.00 H ATOM 742 H CYS A 232 2.064 6.909 7.353 1.00 0.00 H ATOM 743 N VAL A 233 3.546 4.696 9.154 1.00 12.39 N ATOM 744 CA VAL A 233 3.842 3.651 10.137 1.00 16.76 C ATOM 745 C VAL A 233 3.862 2.281 9.442 1.00 20.17 C ATOM 746 O VAL A 233 4.649 1.410 9.804 1.00 21.34 O ATOM 747 CB VAL A 233 2.784 3.615 11.266 1.00 15.38 C ATOM 748 CG1 VAL A 233 3.009 2.397 12.152 1.00 15.84 C ATOM 749 CG2 VAL A 233 2.870 4.884 12.099 1.00 15.69 C ATOM 750 HA VAL A 233 4.814 3.876 10.576 1.00 0.00 H ATOM 751 HB VAL A 233 1.792 3.550 10.819 1.00 0.00 H ATOM 752 HG11 VAL A 233 2.924 1.492 11.551 1.00 0.00 H ATOM 753 HG12 VAL A 233 4.004 2.449 12.594 1.00 0.00 H ATOM 754 HG13 VAL A 233 2.259 2.381 12.943 1.00 0.00 H ATOM 755 HG21 VAL A 233 3.864 4.961 12.540 1.00 0.00 H ATOM 756 HG22 VAL A 233 2.686 5.749 11.461 1.00 0.00 H ATOM 757 HG23 VAL A 233 2.122 4.849 12.891 1.00 0.00 H ATOM 758 H VAL A 233 2.613 5.156 9.151 1.00 0.00 H ATOM 759 N GLN A 234 3.008 2.107 8.438 1.00 22.99 N ATOM 760 CA GLN A 234 2.903 0.824 7.724 1.00 28.06 C ATOM 761 C GLN A 234 3.600 0.883 6.362 1.00 31.08 C ATOM 762 O GLN A 234 3.487 -0.055 5.572 1.00 31.89 O ATOM 763 CB GLN A 234 1.429 0.477 7.516 1.00 30.09 C ATOM 764 CG GLN A 234 0.613 0.453 8.796 1.00 35.41 C ATOM 765 CD GLN A 234 -0.876 0.600 8.539 1.00 38.14 C ATOM 766 OE1 GLN A 234 -1.476 -0.188 7.805 1.00 40.42 O ATOM 767 NE2 GLN A 234 -1.481 1.617 9.145 1.00 38.52 N ATOM 768 HA GLN A 234 3.392 0.060 8.328 1.00 0.00 H ATOM 769 HB2 GLN A 234 0.994 1.218 6.846 1.00 0.00 H ATOM 770 HB3 GLN A 234 1.371 -0.508 7.054 1.00 0.00 H ATOM 771 HG2 GLN A 234 0.788 -0.495 9.305 1.00 0.00 H ATOM 772 HG3 GLN A 234 0.940 1.273 9.435 1.00 0.00 H ATOM 773 HE22 GLN A 234 -0.935 2.257 9.756 1.00 0.00 H ATOM 774 HE21 GLN A 234 -2.500 1.772 9.008 1.00 0.00 H ATOM 775 H GLN A 234 2.398 2.898 8.149 1.00 0.00 H ATOM 776 N GLU A 235 4.316 1.969 6.089 1.00 32.87 N ATOM 777 CA GLU A 235 5.009 2.133 4.803 1.00 36.31 C ATOM 778 C GLU A 235 5.774 0.852 4.459 1.00 37.09 C ATOM 779 O GLU A 235 5.508 0.286 3.377 1.00 37.63 O ATOM 780 CB GLU A 235 5.979 3.316 4.863 1.00 37.56 C ATOM 781 CG GLU A 235 6.674 3.612 3.541 1.00 42.14 C ATOM 782 CD GLU A 235 7.626 4.791 3.632 1.00 43.42 C ATOM 783 OE1 GLU A 235 7.171 5.896 3.994 1.00 44.69 O ATOM 784 OE2 GLU A 235 8.827 4.613 3.340 1.00 45.95 O ATOM 785 HA GLU A 235 4.267 2.330 4.030 1.00 0.00 H ATOM 786 HB2 GLU A 235 5.421 4.203 5.164 1.00 0.00 H ATOM 787 HB3 GLU A 235 6.742 3.097 5.610 1.00 0.00 H ATOM 788 HG2 GLU A 235 7.238 2.730 3.238 1.00 0.00 H ATOM 789 HG3 GLU A 235 5.916 3.833 2.790 1.00 0.00 H ATOM 790 H GLU A 235 4.388 2.722 6.803 1.00 0.00 H TER 791 GLU A 235 HETATM 792 ZN ZN A 1 -9.619 13.407 6.529 1.00 15.90 ZN HETATM 793 ZN ZN A 2 2.841 10.302 7.095 1.00 15.27 ZN HETATM 794 O HOH 3 3.174 18.054 8.921 1.00 14.13 O HETATM 795 O HOH 4 4.898 15.472 7.085 1.00 12.82 O HETATM 796 O HOH 5 -4.106 13.940 0.736 1.00 14.69 O HETATM 797 O HOH 6 -13.336 14.335 5.377 1.00 12.24 O HETATM 798 O HOH 7 8.633 17.457 12.942 1.00 13.90 O HETATM 799 O HOH 8 -13.201 18.876 0.095 1.00 11.98 O HETATM 800 O HOH 9 2.961 15.823 14.931 1.00 13.37 O HETATM 801 O HOH 10 10.071 15.633 11.442 1.00 13.07 O HETATM 802 O HOH 11 11.357 8.428 2.683 1.00 15.37 O HETATM 803 O HOH 12 -10.548 18.034 11.486 1.00 15.51 O HETATM 804 O HOH 13 -0.704 6.303 12.920 1.00 15.53 O HETATM 805 O HOH 14 8.674 8.049 3.446 1.00 19.09 O HETATM 806 O HOH 15 -5.307 15.060 -1.492 1.00 16.33 O HETATM 807 O HOH 16 -11.875 15.746 12.087 1.00 17.04 O HETATM 808 O HOH 17 7.456 9.135 1.329 1.00 29.97 O HETATM 809 O HOH 18 14.223 13.780 3.808 1.00 23.59 O HETATM 810 O HOH 19 -12.856 8.637 14.089 1.00 23.71 O HETATM 811 O HOH 20 -11.278 14.738 -3.293 1.00 23.26 O HETATM 812 O HOH 21 -12.709 13.988 9.684 1.00 19.50 O HETATM 813 O HOH 22 6.640 15.710 2.277 1.00 30.51 O HETATM 814 O HOH 23 -7.803 23.258 2.360 1.00 21.19 O HETATM 815 O HOH 24 2.262 7.667 15.625 1.00 24.71 O HETATM 816 O HOH 25 1.464 6.494 0.393 1.00 38.87 O HETATM 817 O HOH 26 5.830 17.663 5.954 1.00 22.44 O HETATM 818 O HOH 27 -6.125 7.875 0.509 1.00 35.87 O HETATM 819 O HOH 28 -3.722 -0.859 5.329 1.00 25.41 O HETATM 820 O HOH 29 -7.216 6.146 10.531 1.00 26.56 O HETATM 821 O HOH 30 -7.934 10.972 21.190 1.00 23.96 O HETATM 822 O HOH 31 -10.459 21.364 -3.580 1.00 34.07 O HETATM 823 O HOH 32 -3.256 7.216 13.256 1.00 26.17 O HETATM 824 O HOH 33 4.092 5.820 15.922 1.00 31.05 O HETATM 825 O HOH 34 10.163 17.815 15.016 1.00 30.74 O HETATM 826 O HOH 35 -11.887 19.369 14.770 1.00 26.54 O HETATM 827 O HOH 36 -10.646 9.403 19.927 1.00 30.16 O HETATM 828 O HOH 37 -12.399 19.436 -2.509 1.00 27.18 O HETATM 829 O HOH 38 -4.224 13.472 24.291 1.00 32.45 O HETATM 830 O HOH 39 -15.488 15.307 3.984 1.00 24.35 O HETATM 831 O HOH 40 -5.377 5.804 12.503 1.00 26.23 O HETATM 832 O HOH 41 -8.505 18.209 20.606 1.00 54.01 O HETATM 833 O HOH 42 -2.204 16.080 1.451 1.00 21.94 O HETATM 834 O HOH 43 1.722 2.508 3.891 1.00 28.14 O HETATM 835 O HOH 44 -9.720 19.020 -5.321 1.00 36.79 O HETATM 836 O HOH 45 -1.912 18.851 0.060 1.00 34.76 O HETATM 837 O HOH 46 -11.642 17.169 -4.446 1.00 34.65 O HETATM 838 O HOH 47 6.093 16.840 16.486 1.00 30.52 O HETATM 839 O HOH 48 -4.133 19.504 -3.116 1.00 25.34 O HETATM 840 O HOH 49 -15.033 12.657 3.994 1.00 29.41 O HETATM 841 O HOH 50 11.197 15.556 2.066 1.00 40.37 O HETATM 842 O HOH 51 -12.902 24.512 9.922 1.00 32.78 O HETATM 843 O HOH 52 -4.932 11.594 21.380 1.00 37.87 O HETATM 844 O HOH 53 13.082 15.473 3.506 1.00 50.66 O HETATM 845 O HOH 54 15.788 14.851 1.824 1.00 45.30 O HETATM 846 O HOH 55 7.807 6.045 7.644 1.00 64.00 O HETATM 847 O HOH 56 -12.696 24.601 5.406 1.00 34.66 O HETATM 848 O HOH 57 -5.665 24.770 3.291 1.00 37.24 O HETATM 849 O HOH 58 3.349 21.596 6.404 1.00 33.61 O HETATM 850 O HOH 59 -13.973 16.211 13.539 1.00 36.56 O HETATM 851 O HOH 60 8.620 17.614 1.579 1.00 60.11 O HETATM 852 O HOH 61 11.069 5.203 2.864 1.00 50.70 O HETATM 853 O HOH 62 -3.783 8.454 15.483 1.00 36.81 O HETATM 854 O HOH 63 3.976 22.486 12.409 1.00 19.13 O HETATM 855 O HOH 64 -3.764 26.698 14.565 1.00 39.09 O HETATM 856 N ALA A 65 2.582 16.308 19.687 1.00 0.24 N HETATM 857 CA ALA A 65 2.233 16.312 18.237 1.00 0.06 C HETATM 858 C ALA A 65 1.928 17.729 17.766 1.00 0.23 C HETATM 859 O ALA A 65 1.508 18.576 18.554 1.00 -0.39 O HETATM 860 N ALA A 65 2.142 17.981 16.478 1.00 -0.26 N HETATM 861 CA ALA A 65 1.884 19.300 15.900 1.00 0.13 C HETATM 862 C ALA A 65 0.465 19.320 15.347 1.00 0.20 C HETATM 863 O ALA A 65 0.073 18.438 14.579 1.00 -0.39 O HETATM 864 N ALA A 65 -0.302 20.334 15.729 1.00 -0.26 N HETATM 865 CA ALA A 65 -1.680 20.448 15.262 1.00 0.16 C HETATM 866 C ALA A 65 -1.954 21.894 14.881 1.00 0.21 C HETATM 867 O ALA A 65 -1.196 22.797 15.230 1.00 -0.39 O HETATM 868 N ALA A 65 -3.045 22.107 14.158 1.00 -0.26 N HETATM 869 CA ALA A 65 -3.422 23.452 13.747 1.00 0.13 C HETATM 870 CB ALA A 65 -2.755 23.860 12.430 1.00 -0.01 C HETATM 871 CG ALA A 65 -3.286 23.091 11.217 1.00 -0.04 C HETATM 872 CD ALA A 65 -2.633 23.489 9.894 1.00 -0.01 C HETATM 873 CE ALA A 65 -3.008 22.524 8.762 1.00 -0.03 C HETATM 874 NZ ALA A 65 -2.936 23.128 7.364 1.00 0.24 N HETATM 875 CM1 ALA A 65 -1.529 23.485 7.011 1.00 -0.04 C HETATM 876 H38 ALA A 65 -1.503 23.918 6.000 1.00 0.08 H HETATM 877 H39 ALA A 65 -0.903 22.581 7.039 1.00 0.08 H HETATM 878 H40 ALA A 65 -1.145 24.219 7.734 1.00 0.08 H HETATM 879 CM2 ALA A 65 -3.696 24.395 7.113 1.00 -0.04 C HETATM 880 H41 ALA A 65 -4.759 24.237 7.346 1.00 0.08 H HETATM 881 H42 ALA A 65 -3.591 24.682 6.056 1.00 0.08 H HETATM 882 H43 ALA A 65 -3.296 25.196 7.752 1.00 0.08 H HETATM 883 CM3 ALA A 65 -3.411 22.123 6.370 1.00 -0.04 C HETATM 884 H44 ALA A 65 -2.874 21.175 6.522 1.00 0.08 H HETATM 885 H45 ALA A 65 -3.218 22.494 5.353 1.00 0.08 H HETATM 886 H46 ALA A 65 -4.491 21.959 6.502 1.00 0.08 H HETATM 887 H36 ALA A 65 -4.038 22.177 8.934 1.00 0.08 H HETATM 888 H37 ALA A 65 -2.321 21.666 8.801 1.00 0.08 H HETATM 889 H34 ALA A 65 -1.540 23.483 10.020 1.00 0.03 H HETATM 890 H35 ALA A 65 -2.965 24.502 9.623 1.00 0.03 H HETATM 891 H32 ALA A 65 -4.368 23.274 11.138 1.00 0.03 H HETATM 892 H33 ALA A 65 -3.107 22.018 11.382 1.00 0.03 H HETATM 893 H30 ALA A 65 -1.674 23.675 12.514 1.00 0.03 H HETATM 894 H31 ALA A 65 -2.932 24.933 12.267 1.00 0.03 H HETATM 895 C ALA A 65 -4.935 23.511 13.610 1.00 0.20 C HETATM 896 O ALA A 65 -5.585 22.505 13.322 1.00 -0.39 O HETATM 897 N ALA A 65 -5.489 24.695 13.839 1.00 -0.26 N HETATM 898 CA ALA A 65 -6.925 24.905 13.722 1.00 0.13 C HETATM 899 C ALA A 65 -7.156 25.572 12.371 1.00 0.20 C HETATM 900 O ALA A 65 -6.567 26.611 12.080 1.00 -0.39 O HETATM 901 N ALA A 65 -8.002 24.966 11.547 1.00 -0.26 N HETATM 902 CA ALA A 65 -8.293 25.508 10.221 1.00 0.16 C HETATM 903 C ALA A 65 -8.872 26.914 10.378 1.00 0.21 C HETATM 904 O ALA A 65 -9.839 27.117 11.110 1.00 -0.39 O HETATM 905 N ALA A 65 -8.273 27.877 9.685 1.00 -0.26 N HETATM 906 CA ALA A 65 -8.730 29.267 9.752 1.00 0.14 C HETATM 907 C ALA A 65 -9.713 29.520 8.607 1.00 0.26 C HETATM 908 O ALA A 65 -9.847 28.634 7.736 1.00 -0.37 O HETATM 909 O ALA A 65 -10.406 30.653 8.540 1.00 -0.29 O HETATM 910 H67 ALA A 65 -11.335 30.456 8.564 1.00 0.25 H HETATM 911 CB ALA A 65 -7.542 30.214 9.643 1.00 -0.02 C HETATM 912 H64 ALA A 65 -7.896 31.254 9.694 1.00 0.03 H HETATM 913 H65 ALA A 65 -7.028 30.049 8.685 1.00 0.03 H HETATM 914 H66 ALA A 65 -6.844 30.023 10.471 1.00 0.03 H HETATM 915 H63 ALA A 65 -9.238 29.437 10.712 1.00 0.08 H HETATM 916 H62 ALA A 65 -7.492 27.647 9.104 1.00 0.19 H HETATM 917 CB ALA A 65 -9.309 24.627 9.473 1.00 0.09 C HETATM 918 OG1 ALA A 65 -8.795 23.293 9.366 1.00 -0.39 O HETATM 919 H58 ALA A 65 -8.649 22.941 10.236 1.00 0.21 H HETATM 920 CG2 ALA A 65 -9.565 25.179 8.076 1.00 -0.03 C HETATM 921 H59 ALA A 65 -10.292 24.538 7.556 1.00 0.03 H HETATM 922 H60 ALA A 65 -8.622 25.197 7.510 1.00 0.03 H HETATM 923 H61 ALA A 65 -9.966 26.201 8.153 1.00 0.03 H HETATM 924 H57 ALA A 65 -10.255 24.610 10.034 1.00 0.06 H HETATM 925 H56 ALA A 65 -7.361 25.556 9.639 1.00 0.08 H HETATM 926 H55 ALA A 65 -8.450 24.121 11.839 1.00 0.19 H HETATM 927 CB ALA A 65 -7.422 25.811 14.851 1.00 0.00 C HETATM 928 CG ALA A 65 -8.927 26.024 14.863 1.00 0.04 C HETATM 929 CD ALA A 65 -9.698 24.727 15.025 1.00 0.17 C HETATM 930 OE1 ALA A 65 -9.488 23.984 15.984 1.00 -0.40 O HETATM 931 NE2 ALA A 65 -10.599 24.452 14.087 1.00 -0.30 N HETATM 932 H53 ALA A 65 -11.137 23.611 14.142 1.00 0.18 H HETATM 933 H54 ALA A 65 -10.739 25.086 13.327 1.00 0.18 H HETATM 934 H51 ALA A 65 -9.224 26.494 13.914 1.00 0.05 H HETATM 935 H52 ALA A 65 -9.182 26.692 15.699 1.00 0.05 H HETATM 936 H49 ALA A 65 -6.936 26.792 14.745 1.00 0.03 H HETATM 937 H50 ALA A 65 -7.130 25.358 15.810 1.00 0.03 H HETATM 938 H48 ALA A 65 -7.454 23.942 13.765 1.00 0.08 H HETATM 939 H47 ALA A 65 -4.904 25.464 14.099 1.00 0.19 H HETATM 940 H29 ALA A 65 -3.106 24.159 14.528 1.00 0.08 H HETATM 941 H28 ALA A 65 -3.618 21.332 13.891 1.00 0.19 H HETATM 942 CB ALA A 65 -2.678 20.043 16.360 1.00 0.09 C HETATM 943 OG1 ALA A 65 -2.572 20.956 17.460 1.00 -0.39 O HETATM 944 H24 ALA A 65 -3.188 20.706 18.138 1.00 0.21 H HETATM 945 CG2 ALA A 65 -2.383 18.635 16.853 1.00 -0.03 C HETATM 946 H25 ALA A 65 -3.105 18.362 17.637 1.00 0.03 H HETATM 947 H26 ALA A 65 -1.363 18.597 17.264 1.00 0.03 H HETATM 948 H27 ALA A 65 -2.467 17.928 16.015 1.00 0.03 H HETATM 949 H23 ALA A 65 -3.699 20.078 15.952 1.00 0.06 H HETATM 950 H22 ALA A 65 -1.820 19.798 14.385 1.00 0.08 H HETATM 951 H21 ALA A 65 0.069 21.029 16.345 1.00 0.19 H HETATM 952 CB ALA A 65 2.877 19.589 14.776 1.00 -0.01 C HETATM 953 CG ALA A 65 4.322 19.658 15.237 1.00 -0.02 C HETATM 954 CD ALA A 65 5.274 19.730 14.057 1.00 0.06 C HETATM 955 NE ALA A 65 5.153 18.550 13.207 1.00 -0.27 N HETATM 956 CZ ALA A 65 4.560 18.537 12.018 1.00 0.29 C HETATM 957 NH1 ALA A 65 4.031 19.647 11.517 1.00 -0.28 N HETATM 958 H17 ALA A 65 3.573 19.628 10.595 1.00 0.26 H HETATM 959 H18 ALA A 65 4.079 20.527 12.051 1.00 0.26 H HETATM 960 NH2 ALA A 65 4.483 17.406 11.332 1.00 -0.28 N HETATM 961 H19 ALA A 65 4.892 16.542 11.716 1.00 0.26 H HETATM 962 H20 ALA A 65 4.014 17.391 10.415 1.00 0.26 H HETATM 963 H16 ALA A 65 5.555 17.667 13.552 1.00 0.26 H HETATM 964 H14 ALA A 65 6.306 19.797 14.432 1.00 0.07 H HETATM 965 H15 ALA A 65 5.041 20.626 13.462 1.00 0.07 H HETATM 966 H12 ALA A 65 4.553 18.760 15.829 1.00 0.03 H HETATM 967 H13 ALA A 65 4.457 20.554 15.861 1.00 0.03 H HETATM 968 H10 ALA A 65 2.612 20.554 14.319 1.00 0.03 H HETATM 969 H11 ALA A 65 2.791 18.791 14.024 1.00 0.03 H HETATM 970 H9 ALA A 65 1.986 20.068 16.681 1.00 0.08 H HETATM 971 H8 ALA A 65 2.488 17.250 15.889 1.00 0.19 H HETATM 972 CB ALA A 65 1.028 15.410 17.993 1.00 -0.00 C HETATM 973 H5 ALA A 65 0.775 15.417 16.922 1.00 0.03 H HETATM 974 H6 ALA A 65 0.170 15.779 18.574 1.00 0.03 H HETATM 975 H7 ALA A 65 1.269 14.383 18.306 1.00 0.03 H HETATM 976 H4 ALA A 65 3.089 15.925 17.665 1.00 0.11 H HETATM 977 H1 ALA A 65 2.781 15.365 19.982 1.00 0.20 H HETATM 978 H2 ALA A 65 1.807 16.671 20.220 1.00 0.20 H HETATM 979 H3 ALA A 65 3.394 16.886 19.839 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 72 71 76 792 CONECT 102 101 106 792 CONECT 259 258 263 793 CONECT 322 321 326 793 CONECT 426 425 428 792 CONECT 471 470 475 792 CONECT 688 687 692 793 CONECT 737 736 741 793 CONECT 792 72 102 426 471 CONECT 793 259 322 688 737 CONECT 856 857 977 978 979 CONECT 857 856 858 972 976 CONECT 858 857 859 860 CONECT 859 858 CONECT 860 858 861 971 CONECT 861 860 862 952 970 CONECT 862 861 863 864 CONECT 863 862 CONECT 864 862 865 951 CONECT 865 864 866 942 950 CONECT 866 865 867 868 CONECT 867 866 CONECT 868 866 869 941 CONECT 869 868 870 895 940 CONECT 870 869 871 893 894 CONECT 871 870 872 891 892 CONECT 872 871 873 889 890 CONECT 873 872 874 887 888 CONECT 874 873 875 879 883 CONECT 875 874 876 877 878 CONECT 876 875 CONECT 877 875 CONECT 878 875 CONECT 879 874 880 881 882 CONECT 880 879 CONECT 881 879 CONECT 882 879 CONECT 883 874 884 885 886 CONECT 884 883 CONECT 885 883 CONECT 886 883 CONECT 887 873 CONECT 888 873 CONECT 889 872 CONECT 890 872 CONECT 891 871 CONECT 892 871 CONECT 893 870 CONECT 894 870 CONECT 895 869 896 897 CONECT 896 895 CONECT 897 895 898 939 CONECT 898 897 899 927 938 CONECT 899 898 900 901 CONECT 900 899 CONECT 901 899 902 926 CONECT 902 901 903 917 925 CONECT 903 902 904 905 CONECT 904 903 CONECT 905 903 906 916 CONECT 906 905 907 911 915 CONECT 907 906 908 909 CONECT 908 907 CONECT 909 907 910 CONECT 910 909 CONECT 911 906 912 913 914 CONECT 912 911 CONECT 913 911 CONECT 914 911 CONECT 915 906 CONECT 916 905 CONECT 917 902 918 920 924 CONECT 918 917 919 CONECT 919 918 CONECT 920 917 921 922 923 CONECT 921 920 CONECT 922 920 CONECT 923 920 CONECT 924 917 CONECT 925 902 CONECT 926 901 CONECT 927 898 928 936 937 CONECT 928 927 929 934 935 CONECT 929 928 930 931 CONECT 930 929 CONECT 931 929 932 933 CONECT 932 931 CONECT 933 931 CONECT 934 928 CONECT 935 928 CONECT 936 927 CONECT 937 927 CONECT 938 898 CONECT 939 897 CONECT 940 869 CONECT 941 868 CONECT 942 865 943 945 949 CONECT 943 942 944 CONECT 944 943 CONECT 945 942 946 947 948 CONECT 946 945 CONECT 947 945 CONECT 948 945 CONECT 949 942 CONECT 950 865 CONECT 951 864 CONECT 952 861 953 968 969 CONECT 953 952 954 966 967 CONECT 954 953 955 964 965 CONECT 955 954 956 963 CONECT 956 955 957 960 CONECT 957 956 958 959 CONECT 958 957 CONECT 959 957 CONECT 960 956 961 962 CONECT 961 960 CONECT 962 960 CONECT 963 955 CONECT 964 954 CONECT 965 954 CONECT 966 953 CONECT 967 953 CONECT 968 952 CONECT 969 952 CONECT 970 861 CONECT 971 860 CONECT 972 857 973 974 975 CONECT 973 972 CONECT 974 972 CONECT 975 972 CONECT 976 857 CONECT 977 856 CONECT 978 856 CONECT 979 856 MASTER 0 0 0 0 0 0 0 0 978 1 138 4 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3c6w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3c6w
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Inhibitor of growth protein 5
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=2.4uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Proteins Vol. 72: pp. 1371-1376
Ligand Properties
Formula
C
3
4
H
6
7
N
1
2
O
1
1
Molecular Weight
819.970
Exact Mass
819.505
No. of atoms
124
No. of bonds
123
Polar Surface Area
389.1
LOGP Value
-5.25 (
Computed with XLOGP3
)
-3.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C34H64N12O11/c1-17(35)27(50)41-22(12-10-15-39-34(37)38)29(52)45-26(20(4)48)32(55)43-21(11-8-9-16-46(5,6)7)28(51)42-23(13-14-24(36)49)30(53)44-25(19(3)47)31(54)40-18(2)33(56)57/h17-23,25-26,47-48H,8-16,35H2,1-7H3,(H12-,36,37,38,39,40,41,42,43,44,45,49,50,51,52,53,54,55,56,57)/p+3/t17-,18-,19+,20+,21-,22-,23-,25-,26-/m0/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):
Q8WYH8
Entrez Gene ID
NCBI Entrez Gene ID:
84289
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com