Browse entries in the PDBbind-CN Database
HEADER 2LTX_COMPLEX COMPND 2LTX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 35 GLY PRO LEU PRO PRO GLY TRP GLU VAL ARG SER THR VAL SEQRES 2 A 35 SER GLY ARG ILE TYR PHE VAL ASP HIS ASN ASN ARG THR SEQRES 3 A 35 THR GLN PHE THR ASP PRO ARG LEU HIS HET GLU A 36 239 ATOM 1 N GLY A 280 12.920 11.324 -1.027 1.00 15.00 N ATOM 2 CA GLY A 280 13.002 9.861 -0.792 1.00 15.00 C ATOM 3 C GLY A 280 12.787 9.069 -2.066 1.00 15.00 C ATOM 4 O GLY A 280 11.900 9.395 -2.857 1.00 15.00 O ATOM 5 HA3 GLY A 280 12.239 9.577 -0.068 1.00 0.00 H ATOM 6 HA2 GLY A 280 13.987 9.623 -0.391 1.00 0.00 H ATOM 7 HN3 GLY A 280 11.980 11.561 -1.403 1.00 0.00 H ATOM 8 HN2 GLY A 280 13.650 11.605 -1.712 1.00 0.00 H ATOM 9 HN1 GLY A 280 13.073 11.827 -0.130 1.00 0.00 H ATOM 10 N PRO A 281 13.590 8.018 -2.298 1.00 15.00 N ATOM 11 CA PRO A 281 13.504 7.206 -3.507 1.00 15.00 C ATOM 12 C PRO A 281 12.339 6.224 -3.465 1.00 15.00 C ATOM 13 O PRO A 281 12.335 5.276 -2.674 1.00 15.00 O ATOM 14 CB PRO A 281 14.841 6.449 -3.546 1.00 15.00 C ATOM 15 CG PRO A 281 15.632 6.937 -2.371 1.00 15.00 C ATOM 16 CD PRO A 281 14.648 7.536 -1.409 1.00 15.00 C ATOM 17 HA PRO A 281 13.329 7.822 -4.389 1.00 0.00 H ATOM 18 HD3 PRO A 281 14.269 6.786 -0.715 1.00 0.00 H ATOM 19 HD2 PRO A 281 15.095 8.356 -0.847 1.00 0.00 H ATOM 20 HG3 PRO A 281 16.353 7.690 -2.689 1.00 0.00 H ATOM 21 HG2 PRO A 281 16.159 6.107 -1.901 1.00 0.00 H ATOM 22 HB2 PRO A 281 14.670 5.375 -3.467 1.00 0.00 H ATOM 23 HB3 PRO A 281 15.371 6.664 -4.474 1.00 0.00 H ATOM 24 N LEU A 282 11.343 6.474 -4.299 1.00 15.00 N ATOM 25 CA LEU A 282 10.173 5.617 -4.379 1.00 15.00 C ATOM 26 C LEU A 282 9.603 5.658 -5.793 1.00 15.00 C ATOM 27 O LEU A 282 9.319 6.735 -6.318 1.00 15.00 O ATOM 28 CB LEU A 282 9.111 6.071 -3.368 1.00 15.00 C ATOM 29 CG LEU A 282 7.869 5.180 -3.275 1.00 15.00 C ATOM 30 CD1 LEU A 282 8.232 3.805 -2.735 1.00 15.00 C ATOM 31 CD2 LEU A 282 6.811 5.838 -2.402 1.00 15.00 C ATOM 32 HA LEU A 282 10.464 4.594 -4.140 1.00 0.00 H ATOM 33 HB2 LEU A 282 9.576 6.104 -2.383 1.00 0.00 H ATOM 34 HB3 LEU A 282 8.786 7.073 -3.648 1.00 0.00 H ATOM 35 HG LEU A 282 7.460 5.052 -4.277 1.00 0.00 H ATOM 36 HD21 LEU A 282 7.213 5.994 -1.401 1.00 0.00 H ATOM 37 HD22 LEU A 282 6.529 6.798 -2.836 1.00 0.00 H ATOM 38 HD23 LEU A 282 5.935 5.192 -2.346 1.00 0.00 H ATOM 39 HD11 LEU A 282 8.955 3.334 -3.401 1.00 0.00 H ATOM 40 HD12 LEU A 282 8.666 3.910 -1.741 1.00 0.00 H ATOM 41 HD13 LEU A 282 7.334 3.190 -2.678 1.00 0.00 H ATOM 42 H LEU A 282 11.399 7.309 -4.916 1.00 0.00 H ATOM 43 N PRO A 283 9.458 4.489 -6.437 1.00 15.00 N ATOM 44 CA PRO A 283 8.854 4.386 -7.771 1.00 15.00 C ATOM 45 C PRO A 283 7.475 5.044 -7.825 1.00 15.00 C ATOM 46 O PRO A 283 6.636 4.817 -6.951 1.00 15.00 O ATOM 47 CB PRO A 283 8.733 2.877 -7.989 1.00 15.00 C ATOM 48 CG PRO A 283 9.786 2.281 -7.122 1.00 15.00 C ATOM 49 CD PRO A 283 9.882 3.176 -5.920 1.00 15.00 C ATOM 50 HA PRO A 283 9.447 4.892 -8.532 1.00 0.00 H ATOM 51 HD3 PRO A 283 9.217 2.836 -5.126 1.00 0.00 H ATOM 52 HD2 PRO A 283 10.904 3.216 -5.544 1.00 0.00 H ATOM 53 HG3 PRO A 283 10.739 2.250 -7.649 1.00 0.00 H ATOM 54 HG2 PRO A 283 9.505 1.271 -6.822 1.00 0.00 H ATOM 55 HB2 PRO A 283 7.745 2.524 -7.692 1.00 0.00 H ATOM 56 HB3 PRO A 283 8.908 2.625 -9.035 1.00 0.00 H ATOM 57 N PRO A 284 7.211 5.843 -8.875 1.00 15.00 N ATOM 58 CA PRO A 284 5.970 6.629 -8.999 1.00 15.00 C ATOM 59 C PRO A 284 4.717 5.766 -9.172 1.00 15.00 C ATOM 60 O PRO A 284 3.604 6.283 -9.291 1.00 15.00 O ATOM 61 CB PRO A 284 6.210 7.480 -10.250 1.00 15.00 C ATOM 62 CG PRO A 284 7.222 6.723 -11.038 1.00 15.00 C ATOM 63 CD PRO A 284 8.108 6.053 -10.027 1.00 15.00 C ATOM 64 HA PRO A 284 5.777 7.207 -8.095 1.00 0.00 H ATOM 65 HD3 PRO A 284 8.485 5.103 -10.407 1.00 0.00 H ATOM 66 HD2 PRO A 284 8.947 6.694 -9.757 1.00 0.00 H ATOM 67 HG3 PRO A 284 7.803 7.402 -11.662 1.00 0.00 H ATOM 68 HG2 PRO A 284 6.734 5.979 -11.668 1.00 0.00 H ATOM 69 HB2 PRO A 284 5.288 7.595 -10.819 1.00 0.00 H ATOM 70 HB3 PRO A 284 6.592 8.464 -9.978 1.00 0.00 H ATOM 71 N GLY A 285 4.905 4.457 -9.201 1.00 15.00 N ATOM 72 CA GLY A 285 3.784 3.545 -9.293 1.00 15.00 C ATOM 73 C GLY A 285 3.304 3.110 -7.926 1.00 15.00 C ATOM 74 O GLY A 285 2.203 2.574 -7.785 1.00 15.00 O ATOM 75 HA3 GLY A 285 4.090 2.664 -9.857 1.00 0.00 H ATOM 76 HA2 GLY A 285 2.965 4.042 -9.814 1.00 0.00 H ATOM 77 H GLY A 285 5.872 4.077 -9.157 1.00 0.00 H ATOM 78 N TRP A 286 4.133 3.354 -6.917 1.00 15.00 N ATOM 79 CA TRP A 286 3.838 2.934 -5.557 1.00 15.00 C ATOM 80 C TRP A 286 3.088 4.017 -4.797 1.00 15.00 C ATOM 81 O TRP A 286 3.664 5.034 -4.416 1.00 15.00 O ATOM 82 CB TRP A 286 5.136 2.542 -4.828 1.00 15.00 C ATOM 83 CG TRP A 286 5.590 1.174 -5.224 1.00 15.00 C ATOM 84 CD1 TRP A 286 6.006 0.780 -6.461 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.625 0.009 -4.397 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.274 -0.563 -6.464 1.00 15.00 N ATOM 87 CE2 TRP A 286 6.044 -1.063 -5.212 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.336 -0.245 -3.049 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.166 -2.362 -4.730 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.455 -1.534 -2.582 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.854 -2.581 -3.418 1.00 15.00 C ATOM 92 HA TRP A 286 3.190 2.059 -5.601 1.00 0.00 H ATOM 93 HB2 TRP A 286 5.915 3.261 -5.079 1.00 0.00 H ATOM 94 HB3 TRP A 286 4.959 2.560 -3.753 1.00 0.00 H ATOM 95 HE1 TRP A 286 6.599 -1.113 -7.285 1.00 0.00 H ATOM 96 HD1 TRP A 286 6.110 1.439 -7.323 1.00 0.00 H ATOM 97 HZ2 TRP A 286 6.498 -3.175 -5.375 1.00 0.00 H ATOM 98 HH2 TRP A 286 5.917 -3.592 -3.015 1.00 0.00 H ATOM 99 HZ3 TRP A 286 5.233 -1.744 -1.536 1.00 0.00 H ATOM 100 HE3 TRP A 286 5.024 0.561 -2.385 1.00 0.00 H ATOM 101 H TRP A 286 5.021 3.861 -7.106 1.00 0.00 H ATOM 102 N GLU A 287 1.788 3.808 -4.612 1.00 15.00 N ATOM 103 CA GLU A 287 0.971 4.738 -3.862 1.00 15.00 C ATOM 104 C GLU A 287 0.950 4.288 -2.403 1.00 15.00 C ATOM 105 O GLU A 287 0.349 3.266 -2.061 1.00 15.00 O ATOM 106 CB GLU A 287 -0.430 4.773 -4.479 1.00 15.00 C ATOM 107 CG GLU A 287 -1.437 5.675 -3.780 1.00 15.00 C ATOM 108 CD GLU A 287 -1.272 7.132 -4.152 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.432 7.465 -5.350 1.00 15.00 O ATOM 110 OE2 GLU A 287 -1.005 7.951 -3.248 1.00 15.00 O ATOM 111 HA GLU A 287 1.374 5.750 -3.900 1.00 0.00 H ATOM 112 HB2 GLU A 287 -0.334 5.114 -5.510 1.00 0.00 H ATOM 113 HB3 GLU A 287 -0.826 3.758 -4.469 1.00 0.00 H ATOM 114 HG2 GLU A 287 -2.442 5.356 -4.056 1.00 0.00 H ATOM 115 HG3 GLU A 287 -1.308 5.573 -2.702 1.00 0.00 H ATOM 116 H GLU A 287 1.348 2.956 -5.016 1.00 0.00 H ATOM 117 N VAL A 288 1.661 5.024 -1.559 1.00 15.00 N ATOM 118 CA VAL A 288 1.907 4.593 -0.189 1.00 15.00 C ATOM 119 C VAL A 288 0.940 5.244 0.796 1.00 15.00 C ATOM 120 O VAL A 288 0.732 6.457 0.779 1.00 15.00 O ATOM 121 CB VAL A 288 3.368 4.883 0.234 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.709 6.359 0.075 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.620 4.422 1.663 1.00 15.00 C ATOM 124 HA VAL A 288 1.740 3.516 -0.163 1.00 0.00 H ATOM 125 HB VAL A 288 4.023 4.317 -0.429 1.00 0.00 H ATOM 126 HG11 VAL A 288 3.586 6.649 -0.969 1.00 0.00 H ATOM 127 HG12 VAL A 288 3.042 6.954 0.699 1.00 0.00 H ATOM 128 HG13 VAL A 288 4.742 6.527 0.381 1.00 0.00 H ATOM 129 HG21 VAL A 288 2.947 4.951 2.338 1.00 0.00 H ATOM 130 HG22 VAL A 288 3.440 3.349 1.735 1.00 0.00 H ATOM 131 HG23 VAL A 288 4.653 4.637 1.936 1.00 0.00 H ATOM 132 H VAL A 288 2.053 5.931 -1.883 1.00 0.00 H ATOM 133 N ARG A 289 0.347 4.418 1.650 1.00 15.00 N ATOM 134 CA ARG A 289 -0.583 4.885 2.666 1.00 15.00 C ATOM 135 C ARG A 289 -0.345 4.146 3.984 1.00 15.00 C ATOM 136 O ARG A 289 0.080 2.990 3.989 1.00 15.00 O ATOM 137 CB ARG A 289 -2.027 4.686 2.197 1.00 15.00 C ATOM 138 CG ARG A 289 -2.479 5.671 1.132 1.00 15.00 C ATOM 139 CD ARG A 289 -2.186 7.109 1.530 1.00 15.00 C ATOM 140 NE ARG A 289 -2.678 7.417 2.866 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.005 8.135 3.763 1.00 15.00 C ATOM 142 NH1 ARG A 289 -0.837 8.686 3.449 1.00 15.00 N ATOM 143 NH2 ARG A 289 -2.499 8.299 4.980 1.00 15.00 N ATOM 144 HA ARG A 289 -0.414 5.949 2.829 1.00 0.00 H ATOM 145 HB2 ARG A 289 -2.119 3.678 1.792 1.00 0.00 H ATOM 146 HB3 ARG A 289 -2.684 4.790 3.060 1.00 0.00 H ATOM 147 HG2 ARG A 289 -1.957 5.449 0.201 1.00 0.00 H ATOM 148 HG3 ARG A 289 -3.553 5.559 0.980 1.00 0.00 H ATOM 149 HD2 ARG A 289 -2.666 7.777 0.815 1.00 0.00 H ATOM 150 HD3 ARG A 289 -1.108 7.268 1.506 1.00 0.00 H ATOM 151 HE ARG A 289 -3.614 7.053 3.136 1.00 0.00 H ATOM 152 HH12 ARG A 289 -0.319 9.245 4.156 1.00 0.00 H ATOM 153 HH11 ARG A 289 -0.441 8.558 2.496 1.00 0.00 H ATOM 154 HH22 ARG A 289 -1.975 8.859 5.683 1.00 0.00 H ATOM 155 HH21 ARG A 289 -3.411 7.868 5.234 1.00 0.00 H ATOM 156 H ARG A 289 0.555 3.401 1.590 1.00 0.00 H ATOM 157 N SER A 290 -0.626 4.812 5.096 1.00 15.00 N ATOM 158 CA SER A 290 -0.405 4.238 6.417 1.00 15.00 C ATOM 159 C SER A 290 -1.710 4.171 7.207 1.00 15.00 C ATOM 160 O SER A 290 -2.432 5.160 7.299 1.00 15.00 O ATOM 161 CB SER A 290 0.621 5.083 7.171 1.00 15.00 C ATOM 162 OG SER A 290 0.243 6.451 7.175 1.00 15.00 O ATOM 163 HA SER A 290 -0.028 3.222 6.300 1.00 0.00 H ATOM 164 HB2 SER A 290 1.592 4.982 6.687 1.00 0.00 H ATOM 165 HB3 SER A 290 0.690 4.728 8.199 1.00 0.00 H ATOM 166 HG SER A 290 -0.637 6.548 7.617 1.00 0.00 H ATOM 167 H SER A 290 -1.016 5.773 5.023 1.00 0.00 H ATOM 168 N THR A 291 -1.991 3.016 7.798 1.00 15.00 N ATOM 169 CA THR A 291 -3.213 2.827 8.567 1.00 15.00 C ATOM 170 C THR A 291 -2.990 3.203 10.030 1.00 15.00 C ATOM 171 O THR A 291 -1.882 3.045 10.554 1.00 15.00 O ATOM 172 CB THR A 291 -3.697 1.365 8.486 1.00 15.00 C ATOM 173 OG1 THR A 291 -2.755 0.572 7.750 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.067 1.273 7.827 1.00 15.00 C ATOM 175 HA THR A 291 -3.976 3.477 8.138 1.00 0.00 H ATOM 176 HB THR A 291 -3.778 0.983 9.504 1.00 0.00 H ATOM 177 HG1 THR A 291 -1.876 0.599 8.205 1.00 0.00 H ATOM 178 HG23 THR A 291 -5.780 1.876 8.389 1.00 0.00 H ATOM 179 HG21 THR A 291 -5.002 1.643 6.804 1.00 0.00 H ATOM 180 HG22 THR A 291 -5.396 0.234 7.819 1.00 0.00 H ATOM 181 H THR A 291 -1.321 2.226 7.709 1.00 0.00 H ATOM 182 N VAL A 292 -4.053 3.683 10.687 1.00 15.00 N ATOM 183 CA VAL A 292 -3.983 4.151 12.076 1.00 15.00 C ATOM 184 C VAL A 292 -3.544 3.031 13.029 1.00 15.00 C ATOM 185 O VAL A 292 -3.117 3.283 14.155 1.00 15.00 O ATOM 186 CB VAL A 292 -5.346 4.734 12.534 1.00 15.00 C ATOM 187 CG1 VAL A 292 -6.409 3.647 12.625 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.210 5.471 13.860 1.00 15.00 C ATOM 189 HA VAL A 292 -3.232 4.940 12.112 1.00 0.00 H ATOM 190 HB VAL A 292 -5.666 5.453 11.780 1.00 0.00 H ATOM 191 HG11 VAL A 292 -6.539 3.185 11.646 1.00 0.00 H ATOM 192 HG12 VAL A 292 -6.094 2.892 13.345 1.00 0.00 H ATOM 193 HG13 VAL A 292 -7.352 4.089 12.948 1.00 0.00 H ATOM 194 HG21 VAL A 292 -4.852 4.780 14.623 1.00 0.00 H ATOM 195 HG22 VAL A 292 -4.500 6.290 13.748 1.00 0.00 H ATOM 196 HG23 VAL A 292 -6.181 5.868 14.155 1.00 0.00 H ATOM 197 H VAL A 292 -4.967 3.726 10.192 1.00 0.00 H ATOM 198 N SER A 293 -3.640 1.796 12.555 1.00 15.00 N ATOM 199 CA SER A 293 -3.172 0.635 13.299 1.00 15.00 C ATOM 200 C SER A 293 -1.649 0.655 13.455 1.00 15.00 C ATOM 201 O SER A 293 -1.085 -0.091 14.256 1.00 15.00 O ATOM 202 CB SER A 293 -3.626 -0.649 12.603 1.00 15.00 C ATOM 203 OG SER A 293 -3.462 -0.552 11.195 1.00 15.00 O ATOM 204 HA SER A 293 -3.607 0.669 14.298 1.00 0.00 H ATOM 205 HB2 SER A 293 -4.678 -0.824 12.828 1.00 0.00 H ATOM 206 HB3 SER A 293 -3.033 -1.485 12.974 1.00 0.00 H ATOM 207 HG SER A 293 -3.763 -1.394 10.770 1.00 0.00 H ATOM 208 H SER A 293 -4.065 1.651 11.617 1.00 0.00 H ATOM 209 N GLY A 294 -0.993 1.507 12.674 1.00 15.00 N ATOM 210 CA GLY A 294 0.453 1.546 12.646 1.00 15.00 C ATOM 211 C GLY A 294 1.003 0.610 11.601 1.00 15.00 C ATOM 212 O GLY A 294 2.129 0.125 11.705 1.00 15.00 O ATOM 213 HA3 GLY A 294 0.836 1.253 13.623 1.00 0.00 H ATOM 214 HA2 GLY A 294 0.777 2.562 12.420 1.00 0.00 H ATOM 215 H GLY A 294 -1.531 2.160 12.070 1.00 0.00 H ATOM 216 N ARG A 295 0.203 0.380 10.573 1.00 15.00 N ATOM 217 CA ARG A 295 0.576 -0.532 9.508 1.00 15.00 C ATOM 218 C ARG A 295 0.808 0.217 8.213 1.00 15.00 C ATOM 219 O ARG A 295 0.118 1.187 7.912 1.00 15.00 O ATOM 220 CB ARG A 295 -0.510 -1.592 9.294 1.00 15.00 C ATOM 221 CG ARG A 295 -0.479 -2.701 10.326 1.00 15.00 C ATOM 222 CD ARG A 295 -1.401 -3.855 9.961 1.00 15.00 C ATOM 223 NE ARG A 295 -2.810 -3.513 10.115 1.00 15.00 N ATOM 224 CZ ARG A 295 -3.755 -4.412 10.369 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.424 -5.685 10.552 1.00 15.00 N ATOM 226 NH2 ARG A 295 -5.024 -4.038 10.460 1.00 15.00 N ATOM 227 HA ARG A 295 1.502 -1.024 9.806 1.00 0.00 H ATOM 228 HB2 ARG A 295 -1.484 -1.104 9.340 1.00 0.00 H ATOM 229 HB3 ARG A 295 -0.372 -2.034 8.307 1.00 0.00 H ATOM 230 HG2 ARG A 295 0.541 -3.078 10.405 1.00 0.00 H ATOM 231 HG3 ARG A 295 -0.790 -2.294 11.288 1.00 0.00 H ATOM 232 HD2 ARG A 295 -1.174 -4.703 10.608 1.00 0.00 H ATOM 233 HD3 ARG A 295 -1.220 -4.133 8.923 1.00 0.00 H ATOM 234 HE ARG A 295 -3.089 -2.516 10.021 1.00 0.00 H ATOM 235 HH12 ARG A 295 -4.162 -6.391 10.751 1.00 0.00 H ATOM 236 HH11 ARG A 295 -2.427 -5.976 10.496 1.00 0.00 H ATOM 237 HH22 ARG A 295 -5.761 -4.744 10.659 1.00 0.00 H ATOM 238 HH21 ARG A 295 -5.282 -3.039 10.332 1.00 0.00 H ATOM 239 H ARG A 295 -0.716 0.865 10.527 1.00 0.00 H ATOM 240 N ILE A 296 1.767 -0.254 7.442 1.00 15.00 N ATOM 241 CA ILE A 296 1.988 0.268 6.113 1.00 15.00 C ATOM 242 C ILE A 296 1.141 -0.547 5.145 1.00 15.00 C ATOM 243 O ILE A 296 1.012 -1.762 5.303 1.00 15.00 O ATOM 244 CB ILE A 296 3.490 0.199 5.722 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.739 0.878 4.371 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.985 -1.241 5.694 1.00 15.00 C ATOM 247 CD1 ILE A 296 3.524 2.376 4.402 1.00 15.00 C ATOM 248 HA ILE A 296 1.700 1.319 6.077 1.00 0.00 H ATOM 249 HB ILE A 296 4.053 0.737 6.484 1.00 0.00 H ATOM 250 HG12 ILE A 296 4.768 0.683 4.070 1.00 0.00 H ATOM 251 HG13 ILE A 296 3.059 0.446 3.637 1.00 0.00 H ATOM 252 HD11 ILE A 296 2.495 2.588 4.691 1.00 0.00 H ATOM 253 HD12 ILE A 296 4.205 2.825 5.125 1.00 0.00 H ATOM 254 HD13 ILE A 296 3.718 2.790 3.413 1.00 0.00 H ATOM 255 HG21 ILE A 296 3.861 -1.686 6.681 1.00 0.00 H ATOM 256 HG22 ILE A 296 3.408 -1.808 4.963 1.00 0.00 H ATOM 257 HG23 ILE A 296 5.039 -1.256 5.417 1.00 0.00 H ATOM 258 H ILE A 296 2.378 -1.017 7.797 1.00 0.00 H ATOM 259 N TYR A 297 0.536 0.102 4.168 1.00 15.00 N ATOM 260 CA TYR A 297 -0.363 -0.604 3.280 1.00 15.00 C ATOM 261 C TYR A 297 -0.314 0.014 1.910 1.00 15.00 C ATOM 262 O TYR A 297 -0.490 1.221 1.733 1.00 15.00 O ATOM 263 CB TYR A 297 -1.804 -0.674 3.831 1.00 15.00 C ATOM 264 CG TYR A 297 -2.656 0.579 3.705 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.439 0.799 2.573 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.725 1.507 4.735 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.252 1.913 2.472 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.546 2.618 4.644 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.306 2.817 3.512 1.00 15.00 C ATOM 270 OH TYR A 297 -5.131 3.917 3.419 1.00 15.00 O ATOM 271 HA TYR A 297 -0.025 -1.638 3.208 1.00 0.00 H ATOM 272 HB3 TYR A 297 -1.739 -0.922 4.890 1.00 0.00 H ATOM 273 HB2 TYR A 297 -2.319 -1.476 3.302 1.00 0.00 H ATOM 274 HD2 TYR A 297 -2.122 1.358 5.631 1.00 0.00 H ATOM 275 HE2 TYR A 297 -3.591 3.333 5.465 1.00 0.00 H ATOM 276 HE1 TYR A 297 -4.848 2.076 1.574 1.00 0.00 H ATOM 277 HD1 TYR A 297 -3.410 0.081 1.754 1.00 0.00 H ATOM 278 HH TYR A 297 -4.588 4.742 3.491 1.00 0.00 H ATOM 279 H TYR A 297 0.705 1.120 4.036 1.00 0.00 H ATOM 280 N PHE A 298 -0.038 -0.822 0.949 1.00 15.00 N ATOM 281 CA PHE A 298 0.153 -0.378 -0.392 1.00 15.00 C ATOM 282 C PHE A 298 -1.050 -0.518 -1.258 1.00 15.00 C ATOM 283 O PHE A 298 -1.844 -1.442 -1.125 1.00 15.00 O ATOM 284 CB PHE A 298 1.297 -1.122 -1.009 1.00 15.00 C ATOM 285 CG PHE A 298 2.552 -0.403 -0.777 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.711 0.849 -1.329 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.564 -0.955 -0.024 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.863 1.546 -1.142 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.732 -0.264 0.159 1.00 15.00 C ATOM 290 CZ PHE A 298 4.874 0.986 -0.405 1.00 15.00 C ATOM 291 HA PHE A 298 0.364 0.690 -0.329 1.00 0.00 H ATOM 292 HB2 PHE A 298 1.363 -2.115 -0.564 1.00 0.00 H ATOM 293 HB3 PHE A 298 1.129 -1.216 -2.082 1.00 0.00 H ATOM 294 HD2 PHE A 298 3.436 -1.940 0.425 1.00 0.00 H ATOM 295 HE2 PHE A 298 5.542 -0.698 0.745 1.00 0.00 H ATOM 296 HZ PHE A 298 5.804 1.537 -0.263 1.00 0.00 H ATOM 297 HE1 PHE A 298 3.982 2.540 -1.574 1.00 0.00 H ATOM 298 HD1 PHE A 298 1.906 1.285 -1.921 1.00 0.00 H ATOM 299 H PHE A 298 0.045 -1.836 1.165 1.00 0.00 H ATOM 300 N VAL A 299 -1.118 0.404 -2.181 1.00 15.00 N ATOM 301 CA VAL A 299 -2.075 0.372 -3.247 1.00 15.00 C ATOM 302 C VAL A 299 -1.340 0.735 -4.538 1.00 15.00 C ATOM 303 O VAL A 299 -0.895 1.870 -4.745 1.00 15.00 O ATOM 304 CB VAL A 299 -3.309 1.284 -2.970 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.149 0.718 -1.830 1.00 15.00 C ATOM 306 CG2 VAL A 299 -2.907 2.707 -2.634 1.00 15.00 C ATOM 307 HA VAL A 299 -2.498 -0.628 -3.339 1.00 0.00 H ATOM 308 HB VAL A 299 -3.896 1.304 -3.888 1.00 0.00 H ATOM 309 HG11 VAL A 299 -4.499 -0.279 -2.098 1.00 0.00 H ATOM 310 HG12 VAL A 299 -3.542 0.660 -0.927 1.00 0.00 H ATOM 311 HG13 VAL A 299 -5.005 1.369 -1.653 1.00 0.00 H ATOM 312 HG21 VAL A 299 -2.280 2.705 -1.742 1.00 0.00 H ATOM 313 HG22 VAL A 299 -2.351 3.133 -3.469 1.00 0.00 H ATOM 314 HG23 VAL A 299 -3.801 3.302 -2.450 1.00 0.00 H ATOM 315 H VAL A 299 -0.447 1.197 -2.140 1.00 0.00 H ATOM 316 N ASP A 300 -1.107 -0.279 -5.353 1.00 15.00 N ATOM 317 CA ASP A 300 -0.341 -0.111 -6.577 1.00 15.00 C ATOM 318 C ASP A 300 -1.278 0.206 -7.729 1.00 15.00 C ATOM 319 O ASP A 300 -2.337 -0.416 -7.873 1.00 15.00 O ATOM 320 CB ASP A 300 0.505 -1.362 -6.867 1.00 15.00 C ATOM 321 CG ASP A 300 0.104 -2.079 -8.139 1.00 15.00 C ATOM 322 OD1 ASP A 300 0.534 -1.652 -9.232 1.00 15.00 O ATOM 323 OD2 ASP A 300 -0.642 -3.070 -8.048 1.00 15.00 O ATOM 324 HA ASP A 300 0.348 0.725 -6.455 1.00 0.00 H ATOM 325 HB2 ASP A 300 1.549 -1.061 -6.955 1.00 0.00 H ATOM 326 HB3 ASP A 300 0.397 -2.054 -6.032 1.00 0.00 H ATOM 327 H ASP A 300 -1.481 -1.219 -5.113 1.00 0.00 H ATOM 328 N HIS A 301 -0.866 1.165 -8.548 1.00 15.00 N ATOM 329 CA HIS A 301 -1.718 1.712 -9.594 1.00 15.00 C ATOM 330 C HIS A 301 -1.682 0.890 -10.884 1.00 15.00 C ATOM 331 O HIS A 301 -2.531 1.073 -11.752 1.00 15.00 O ATOM 332 CB HIS A 301 -1.310 3.158 -9.912 1.00 15.00 C ATOM 333 CG HIS A 301 -1.763 4.180 -8.907 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.078 4.325 -8.528 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.077 5.157 -8.259 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.185 5.359 -7.708 1.00 15.00 C ATOM 337 NE2 HIS A 301 -1.986 5.876 -7.519 1.00 15.00 N ATOM 338 HA HIS A 301 -2.737 1.679 -9.208 1.00 0.00 H ATOM 339 HB2 HIS A 301 -0.222 3.198 -9.969 1.00 0.00 H ATOM 340 HB3 HIS A 301 -1.734 3.424 -10.880 1.00 0.00 H ATOM 341 HD2 HIS A 301 -0.004 5.338 -8.315 1.00 0.00 H ATOM 342 HE1 HIS A 301 -4.111 5.723 -7.263 1.00 0.00 H ATOM 343 H HIS A 301 0.098 1.539 -8.439 1.00 0.00 H ATOM 344 N ASN A 302 -0.707 0.000 -11.023 1.00 15.00 N ATOM 345 CA ASN A 302 -0.539 -0.734 -12.278 1.00 15.00 C ATOM 346 C ASN A 302 -1.206 -2.099 -12.235 1.00 15.00 C ATOM 347 O ASN A 302 -1.865 -2.502 -13.195 1.00 15.00 O ATOM 348 CB ASN A 302 0.939 -0.883 -12.645 1.00 15.00 C ATOM 349 CG ASN A 302 1.436 0.269 -13.497 1.00 15.00 C ATOM 350 OD1 ASN A 302 2.589 0.691 -13.390 1.00 15.00 O ATOM 351 ND2 ASN A 302 0.574 0.772 -14.369 1.00 15.00 N ATOM 352 HA ASN A 302 -1.032 -0.143 -13.050 1.00 0.00 H ATOM 353 HB2 ASN A 302 1.527 -0.921 -11.728 1.00 0.00 H ATOM 354 HB3 ASN A 302 1.072 -1.812 -13.199 1.00 0.00 H ATOM 355 HD22 ASN A 302 -0.390 0.387 -14.428 1.00 0.00 H ATOM 356 HD21 ASN A 302 0.862 1.551 -14.994 1.00 0.00 H ATOM 357 H ASN A 302 -0.056 -0.178 -10.232 1.00 0.00 H ATOM 358 N ASN A 303 -1.010 -2.820 -11.149 1.00 15.00 N ATOM 359 CA ASN A 303 -1.634 -4.127 -10.976 1.00 15.00 C ATOM 360 C ASN A 303 -2.946 -4.001 -10.205 1.00 15.00 C ATOM 361 O ASN A 303 -3.749 -4.938 -10.178 1.00 15.00 O ATOM 362 CB ASN A 303 -0.698 -5.091 -10.241 1.00 15.00 C ATOM 363 CG ASN A 303 0.650 -5.253 -10.911 1.00 15.00 C ATOM 364 OD1 ASN A 303 0.765 -5.201 -12.136 1.00 15.00 O ATOM 365 ND2 ASN A 303 1.686 -5.450 -10.109 1.00 15.00 N ATOM 366 HA ASN A 303 -1.840 -4.527 -11.969 1.00 0.00 H ATOM 367 HB2 ASN A 303 -0.538 -4.714 -9.231 1.00 0.00 H ATOM 368 HB3 ASN A 303 -1.178 -6.068 -10.191 1.00 0.00 H ATOM 369 HD22 ASN A 303 1.547 -5.487 -9.079 1.00 0.00 H ATOM 370 HD21 ASN A 303 2.639 -5.567 -10.509 1.00 0.00 H ATOM 371 H ASN A 303 -0.395 -2.448 -10.397 1.00 0.00 H ATOM 372 N ARG A 304 -3.140 -2.840 -9.567 1.00 15.00 N ATOM 373 CA ARG A 304 -4.273 -2.602 -8.671 1.00 15.00 C ATOM 374 C ARG A 304 -4.213 -3.575 -7.498 1.00 15.00 C ATOM 375 O ARG A 304 -5.091 -4.422 -7.323 1.00 15.00 O ATOM 376 CB ARG A 304 -5.616 -2.721 -9.404 1.00 15.00 C ATOM 377 CG ARG A 304 -5.743 -1.804 -10.609 1.00 15.00 C ATOM 378 CD ARG A 304 -6.883 -2.236 -11.520 1.00 15.00 C ATOM 379 NE ARG A 304 -6.610 -3.529 -12.141 1.00 15.00 N ATOM 380 CZ ARG A 304 -7.491 -4.520 -12.232 1.00 15.00 C ATOM 381 NH1 ARG A 304 -8.702 -4.389 -11.706 1.00 15.00 N ATOM 382 NH2 ARG A 304 -7.152 -5.653 -12.835 1.00 15.00 N ATOM 383 HA ARG A 304 -4.201 -1.580 -8.298 1.00 0.00 H ATOM 384 HB2 ARG A 304 -5.733 -3.751 -9.742 1.00 0.00 H ATOM 385 HB3 ARG A 304 -6.413 -2.478 -8.702 1.00 0.00 H ATOM 386 HG2 ARG A 304 -5.931 -0.788 -10.263 1.00 0.00 H ATOM 387 HG3 ARG A 304 -4.810 -1.828 -11.173 1.00 0.00 H ATOM 388 HD2 ARG A 304 -7.015 -1.488 -12.302 1.00 0.00 H ATOM 389 HD3 ARG A 304 -7.798 -2.311 -10.932 1.00 0.00 H ATOM 390 HE ARG A 304 -5.662 -3.685 -12.539 1.00 0.00 H ATOM 391 HH12 ARG A 304 -9.388 -5.167 -11.780 1.00 0.00 H ATOM 392 HH11 ARG A 304 -8.965 -3.508 -11.220 1.00 0.00 H ATOM 393 HH22 ARG A 304 -7.840 -6.430 -12.907 1.00 0.00 H ATOM 394 HH21 ARG A 304 -6.199 -5.764 -13.235 1.00 0.00 H ATOM 395 H ARG A 304 -2.454 -2.072 -9.715 1.00 0.00 H ATOM 396 N THR A 305 -3.154 -3.460 -6.710 1.00 15.00 N ATOM 397 CA THR A 305 -2.898 -4.416 -5.638 1.00 15.00 C ATOM 398 C THR A 305 -2.792 -3.723 -4.284 1.00 15.00 C ATOM 399 O THR A 305 -2.379 -2.566 -4.202 1.00 15.00 O ATOM 400 CB THR A 305 -1.591 -5.195 -5.900 1.00 15.00 C ATOM 401 OG1 THR A 305 -1.445 -5.436 -7.302 1.00 15.00 O ATOM 402 CG2 THR A 305 -1.584 -6.524 -5.156 1.00 15.00 C ATOM 403 HA THR A 305 -3.742 -5.106 -5.619 1.00 0.00 H ATOM 404 HB THR A 305 -0.759 -4.592 -5.538 1.00 0.00 H ATOM 405 HG1 THR A 305 -1.414 -4.571 -7.783 1.00 0.00 H ATOM 406 HG23 THR A 305 -1.695 -6.341 -4.087 1.00 0.00 H ATOM 407 HG21 THR A 305 -2.411 -7.141 -5.508 1.00 0.00 H ATOM 408 HG22 THR A 305 -0.641 -7.038 -5.342 1.00 0.00 H ATOM 409 H THR A 305 -2.492 -2.672 -6.859 1.00 0.00 H ATOM 410 N THR A 306 -3.171 -4.434 -3.229 1.00 15.00 N ATOM 411 CA THR A 306 -3.050 -3.924 -1.876 1.00 15.00 C ATOM 412 C THR A 306 -2.212 -4.875 -1.019 1.00 15.00 C ATOM 413 O THR A 306 -2.629 -5.996 -0.732 1.00 15.00 O ATOM 414 CB THR A 306 -4.433 -3.725 -1.230 1.00 15.00 C ATOM 415 OG1 THR A 306 -5.271 -2.957 -2.104 1.00 15.00 O ATOM 416 CG2 THR A 306 -4.299 -3.009 0.103 1.00 15.00 C ATOM 417 HA THR A 306 -2.552 -2.956 -1.930 1.00 0.00 H ATOM 418 HB THR A 306 -4.882 -4.704 -1.061 1.00 0.00 H ATOM 419 HG1 THR A 306 -6.158 -2.833 -1.683 1.00 0.00 H ATOM 420 HG23 THR A 306 -3.662 -3.594 0.766 1.00 0.00 H ATOM 421 HG21 THR A 306 -3.854 -2.027 -0.057 1.00 0.00 H ATOM 422 HG22 THR A 306 -5.285 -2.894 0.553 1.00 0.00 H ATOM 423 H THR A 306 -3.566 -5.385 -3.377 1.00 0.00 H ATOM 424 N GLN A 307 -1.032 -4.415 -0.616 1.00 15.00 N ATOM 425 CA GLN A 307 -0.081 -5.249 0.117 1.00 15.00 C ATOM 426 C GLN A 307 0.209 -4.665 1.498 1.00 15.00 C ATOM 427 O GLN A 307 0.482 -3.477 1.623 1.00 15.00 O ATOM 428 CB GLN A 307 1.234 -5.349 -0.667 1.00 15.00 C ATOM 429 CG GLN A 307 1.088 -5.958 -2.054 1.00 15.00 C ATOM 430 CD GLN A 307 0.776 -7.440 -2.012 1.00 15.00 C ATOM 431 OE1 GLN A 307 -0.384 -7.842 -1.964 1.00 15.00 O ATOM 432 NE2 GLN A 307 1.813 -8.260 -2.049 1.00 15.00 N ATOM 433 HA GLN A 307 -0.523 -6.238 0.237 1.00 0.00 H ATOM 434 HB2 GLN A 307 1.645 -4.345 -0.775 1.00 0.00 H ATOM 435 HB3 GLN A 307 1.928 -5.964 -0.094 1.00 0.00 H ATOM 436 HG2 GLN A 307 0.280 -5.446 -2.577 1.00 0.00 H ATOM 437 HG3 GLN A 307 2.021 -5.813 -2.599 1.00 0.00 H ATOM 438 HE22 GLN A 307 2.779 -7.876 -2.089 1.00 0.00 H ATOM 439 HE21 GLN A 307 1.663 -9.289 -2.038 1.00 0.00 H ATOM 440 H GLN A 307 -0.777 -3.430 -0.829 1.00 0.00 H ATOM 441 N PHE A 308 0.165 -5.503 2.528 1.00 15.00 N ATOM 442 CA PHE A 308 0.578 -5.081 3.869 1.00 15.00 C ATOM 443 C PHE A 308 2.096 -5.177 4.014 1.00 15.00 C ATOM 444 O PHE A 308 2.669 -4.727 5.006 1.00 15.00 O ATOM 445 CB PHE A 308 -0.102 -5.917 4.968 1.00 15.00 C ATOM 446 CG PHE A 308 -1.298 -5.248 5.603 1.00 15.00 C ATOM 447 CD1 PHE A 308 -1.339 -3.872 5.760 1.00 15.00 C ATOM 448 CD2 PHE A 308 -2.371 -5.996 6.064 1.00 15.00 C ATOM 449 CE1 PHE A 308 -2.425 -3.258 6.361 1.00 15.00 C ATOM 450 CE2 PHE A 308 -3.457 -5.388 6.657 1.00 15.00 C ATOM 451 CZ PHE A 308 -3.487 -4.019 6.806 1.00 15.00 C ATOM 452 HA PHE A 308 0.265 -4.044 3.992 1.00 0.00 H ATOM 453 HB2 PHE A 308 -0.430 -6.859 4.528 1.00 0.00 H ATOM 454 HB3 PHE A 308 0.632 -6.118 5.748 1.00 0.00 H ATOM 455 HD2 PHE A 308 -2.355 -7.081 5.956 1.00 0.00 H ATOM 456 HE2 PHE A 308 -4.294 -5.992 7.009 1.00 0.00 H ATOM 457 HZ PHE A 308 -4.346 -3.538 7.274 1.00 0.00 H ATOM 458 HE1 PHE A 308 -2.441 -2.175 6.483 1.00 0.00 H ATOM 459 HD1 PHE A 308 -0.506 -3.265 5.406 1.00 0.00 H ATOM 460 H PHE A 308 -0.169 -6.477 2.380 1.00 0.00 H ATOM 461 N THR A 309 2.733 -5.791 3.030 1.00 15.00 N ATOM 462 CA THR A 309 4.173 -5.993 3.054 1.00 15.00 C ATOM 463 C THR A 309 4.907 -4.861 2.327 1.00 15.00 C ATOM 464 O THR A 309 4.690 -4.636 1.135 1.00 15.00 O ATOM 465 CB THR A 309 4.535 -7.336 2.395 1.00 15.00 C ATOM 466 OG1 THR A 309 3.672 -8.369 2.890 1.00 15.00 O ATOM 467 CG2 THR A 309 5.984 -7.710 2.672 1.00 15.00 C ATOM 468 HA THR A 309 4.487 -5.999 4.098 1.00 0.00 H ATOM 469 HB THR A 309 4.405 -7.231 1.318 1.00 0.00 H ATOM 470 HG1 THR A 309 3.910 -9.229 2.462 1.00 0.00 H ATOM 471 HG23 THR A 309 6.639 -6.924 2.295 1.00 0.00 H ATOM 472 HG21 THR A 309 6.130 -7.823 3.746 1.00 0.00 H ATOM 473 HG22 THR A 309 6.217 -8.650 2.172 1.00 0.00 H ATOM 474 H THR A 309 2.188 -6.139 2.216 1.00 0.00 H ATOM 475 N ASP A 310 5.762 -4.145 3.052 1.00 15.00 N ATOM 476 CA ASP A 310 6.585 -3.092 2.457 1.00 15.00 C ATOM 477 C ASP A 310 7.971 -3.648 2.122 1.00 15.00 C ATOM 478 O ASP A 310 8.685 -4.133 3.004 1.00 15.00 O ATOM 479 CB ASP A 310 6.709 -1.900 3.418 1.00 15.00 C ATOM 480 CG ASP A 310 7.429 -0.709 2.809 1.00 15.00 C ATOM 481 OD1 ASP A 310 8.627 -0.828 2.495 1.00 15.00 O ATOM 482 OD2 ASP A 310 6.800 0.356 2.655 1.00 15.00 O ATOM 483 HA ASP A 310 6.107 -2.746 1.540 1.00 0.00 H ATOM 484 HB2 ASP A 310 5.707 -1.586 3.711 1.00 0.00 H ATOM 485 HB3 ASP A 310 7.260 -2.223 4.301 1.00 0.00 H ATOM 486 H ASP A 310 5.848 -4.339 4.070 1.00 0.00 H ATOM 487 N PRO A 311 8.365 -3.592 0.840 1.00 15.00 N ATOM 488 CA PRO A 311 9.641 -4.144 0.362 1.00 15.00 C ATOM 489 C PRO A 311 10.840 -3.259 0.698 1.00 15.00 C ATOM 490 O PRO A 311 11.991 -3.680 0.592 1.00 15.00 O ATOM 491 CB PRO A 311 9.435 -4.211 -1.147 1.00 15.00 C ATOM 492 CG PRO A 311 8.524 -3.073 -1.437 1.00 15.00 C ATOM 493 CD PRO A 311 7.588 -2.985 -0.260 1.00 15.00 C ATOM 494 HA PRO A 311 9.870 -5.102 0.830 1.00 0.00 H ATOM 495 HD3 PRO A 311 7.339 -1.948 -0.036 1.00 0.00 H ATOM 496 HD2 PRO A 311 6.672 -3.545 -0.447 1.00 0.00 H ATOM 497 HG3 PRO A 311 7.965 -3.259 -2.354 1.00 0.00 H ATOM 498 HG2 PRO A 311 9.092 -2.149 -1.540 1.00 0.00 H ATOM 499 HB2 PRO A 311 10.382 -4.093 -1.673 1.00 0.00 H ATOM 500 HB3 PRO A 311 8.977 -5.157 -1.434 1.00 0.00 H ATOM 501 N ARG A 312 10.557 -2.030 1.073 1.00 15.00 N ATOM 502 CA ARG A 312 11.584 -1.042 1.354 1.00 15.00 C ATOM 503 C ARG A 312 11.993 -1.090 2.826 1.00 15.00 C ATOM 504 O ARG A 312 13.102 -0.695 3.189 1.00 15.00 O ATOM 505 CB ARG A 312 11.046 0.345 0.982 1.00 15.00 C ATOM 506 CG ARG A 312 11.687 1.503 1.728 1.00 15.00 C ATOM 507 CD ARG A 312 10.759 2.706 1.750 1.00 15.00 C ATOM 508 NE ARG A 312 9.432 2.356 2.269 1.00 15.00 N ATOM 509 CZ ARG A 312 8.629 3.205 2.909 1.00 15.00 C ATOM 510 NH1 ARG A 312 9.021 4.452 3.145 1.00 15.00 N ATOM 511 NH2 ARG A 312 7.433 2.800 3.317 1.00 15.00 N ATOM 512 HA ARG A 312 12.473 -1.259 0.761 1.00 0.00 H ATOM 513 HB2 ARG A 312 11.210 0.497 -0.085 1.00 0.00 H ATOM 514 HB3 ARG A 312 9.976 0.360 1.189 1.00 0.00 H ATOM 515 HG2 ARG A 312 11.900 1.196 2.752 1.00 0.00 H ATOM 516 HG3 ARG A 312 12.618 1.778 1.232 1.00 0.00 H ATOM 517 HD2 ARG A 312 10.652 3.089 0.735 1.00 0.00 H ATOM 518 HD3 ARG A 312 11.195 3.478 2.384 1.00 0.00 H ATOM 519 HE ARG A 312 9.096 1.382 2.128 1.00 0.00 H ATOM 520 HH12 ARG A 312 8.389 5.110 3.645 1.00 0.00 H ATOM 521 HH11 ARG A 312 9.959 4.771 2.830 1.00 0.00 H ATOM 522 HH22 ARG A 312 6.803 3.460 3.817 1.00 0.00 H ATOM 523 HH21 ARG A 312 7.125 1.823 3.137 1.00 0.00 H ATOM 524 H ARG A 312 9.559 -1.755 1.172 1.00 0.00 H ATOM 525 N LEU A 313 11.088 -1.575 3.665 1.00 15.00 N ATOM 526 CA LEU A 313 11.302 -1.588 5.107 1.00 15.00 C ATOM 527 C LEU A 313 12.307 -2.665 5.525 1.00 15.00 C ATOM 528 O LEU A 313 12.777 -2.682 6.664 1.00 15.00 O ATOM 529 CB LEU A 313 9.969 -1.798 5.830 1.00 15.00 C ATOM 530 CG LEU A 313 9.985 -1.512 7.332 1.00 15.00 C ATOM 531 CD1 LEU A 313 10.323 -0.051 7.594 1.00 15.00 C ATOM 532 CD2 LEU A 313 8.646 -1.870 7.955 1.00 15.00 C ATOM 533 HA LEU A 313 11.721 -0.623 5.390 1.00 0.00 H ATOM 534 HB2 LEU A 313 9.230 -1.142 5.370 1.00 0.00 H ATOM 535 HB3 LEU A 313 9.669 -2.836 5.688 1.00 0.00 H ATOM 536 HG LEU A 313 10.756 -2.130 7.793 1.00 0.00 H ATOM 537 HD21 LEU A 313 7.860 -1.277 7.489 1.00 0.00 H ATOM 538 HD22 LEU A 313 8.445 -2.930 7.797 1.00 0.00 H ATOM 539 HD23 LEU A 313 8.676 -1.660 9.024 1.00 0.00 H ATOM 540 HD11 LEU A 313 11.306 0.173 7.180 1.00 0.00 H ATOM 541 HD12 LEU A 313 9.575 0.584 7.120 1.00 0.00 H ATOM 542 HD13 LEU A 313 10.329 0.132 8.668 1.00 0.00 H ATOM 543 H LEU A 313 10.199 -1.957 3.283 1.00 0.00 H ATOM 544 N HIS A 314 12.636 -3.568 4.612 1.00 15.00 N ATOM 545 CA HIS A 314 13.611 -4.607 4.910 1.00 15.00 C ATOM 546 C HIS A 314 14.882 -4.390 4.100 1.00 15.00 C ATOM 547 O HIS A 314 14.820 -4.444 2.856 1.00 15.00 O ATOM 548 CB HIS A 314 13.037 -6.020 4.687 1.00 15.00 C ATOM 549 CG HIS A 314 12.638 -6.346 3.275 1.00 15.00 C ATOM 550 ND1 HIS A 314 13.468 -7.002 2.392 1.00 15.00 N ATOM 551 CD2 HIS A 314 11.482 -6.130 2.606 1.00 15.00 C ATOM 552 CE1 HIS A 314 12.844 -7.170 1.246 1.00 15.00 C ATOM 553 NE2 HIS A 314 11.635 -6.654 1.344 1.00 15.00 N ATOM 554 HA HIS A 314 13.860 -4.534 5.969 1.00 0.00 H ATOM 555 OXT HIS A 314 15.940 -4.159 4.718 1.00 15.00 O ATOM 556 HB2 HIS A 314 13.793 -6.742 4.997 1.00 0.00 H ATOM 557 HB3 HIS A 314 12.155 -6.127 5.318 1.00 0.00 H ATOM 558 HD2 HIS A 314 10.594 -5.633 2.995 1.00 0.00 H ATOM 559 HE1 HIS A 314 13.258 -7.655 0.362 1.00 0.00 H ATOM 560 H HIS A 314 12.192 -3.534 3.672 1.00 0.00 H TER 561 HIS A 314 HETATM 562 N GLU A 1 1.598 -12.778 4.288 1.00 0.24 N HETATM 563 CA GLU A 1 1.124 -11.565 4.996 1.00 0.07 C HETATM 564 C GLU A 1 0.811 -11.889 6.450 1.00 0.23 C HETATM 565 O GLU A 1 1.363 -11.273 7.358 1.00 -0.39 O HETATM 566 N GLU A 1 -0.091 -12.856 6.653 1.00 -0.26 N HETATM 567 CA GLU A 1 -0.499 -13.305 7.991 1.00 0.13 C HETATM 568 C GLU A 1 -1.273 -12.218 8.741 1.00 0.20 C HETATM 569 O GLU A 1 -1.569 -12.360 9.926 1.00 -0.39 O HETATM 570 N GLU A 1 -1.631 -11.160 8.031 1.00 -0.26 N HETATM 571 CA GLU A 1 -2.357 -10.042 8.618 1.00 0.13 C HETATM 572 C GLU A 1 -3.819 -10.061 8.195 1.00 0.20 C HETATM 573 O GLU A 1 -4.204 -10.805 7.292 1.00 -0.39 O HETATM 574 N GLU A 1 -4.620 -9.235 8.857 1.00 -0.26 N HETATM 575 CA GLU A 1 -6.007 -9.012 8.473 1.00 0.15 C HETATM 576 C GLU A 1 -6.094 -8.496 7.039 1.00 0.21 C HETATM 577 O GLU A 1 -5.130 -7.921 6.533 1.00 -0.39 O HETATM 578 N GLU A 1 -7.252 -8.669 6.376 1.00 -0.25 N HETATM 579 CA GLU A 1 -7.459 -8.173 5.013 1.00 0.13 C HETATM 580 C GLU A 1 -7.147 -6.680 4.892 1.00 0.21 C HETATM 581 O GLU A 1 -7.745 -5.848 5.577 1.00 -0.39 O HETATM 582 N GLU A 1 -6.177 -6.341 4.033 1.00 -0.25 N HETATM 583 CA GLU A 1 -5.780 -4.954 3.765 1.00 0.13 C HETATM 584 C GLU A 1 -6.914 -4.108 3.177 1.00 0.21 C HETATM 585 O GLU A 1 -7.887 -4.636 2.631 1.00 -0.39 O HETATM 586 N GLU A 1 -6.766 -2.776 3.247 1.00 -0.25 N HETATM 587 CA GLU A 1 -7.785 -1.818 2.802 1.00 0.13 C HETATM 588 C GLU A 1 -7.952 -1.847 1.281 1.00 0.21 C HETATM 589 O GLU A 1 -6.976 -1.701 0.548 1.00 -0.39 O HETATM 590 N GLU A 1 -9.192 -2.047 0.792 1.00 -0.25 N HETATM 591 CA GLU A 1 -9.489 -2.157 -0.645 1.00 0.13 C HETATM 592 C GLU A 1 -8.867 -1.022 -1.457 1.00 0.20 C HETATM 593 O GLU A 1 -9.006 0.153 -1.103 1.00 -0.39 O HETATM 594 N GLU A 1 -8.199 -1.380 -2.555 1.00 -0.26 N HETATM 595 CA GLU A 1 -7.484 -0.406 -3.370 1.00 0.14 C HETATM 596 C GLU A 1 -8.419 0.664 -3.919 1.00 0.21 C HETATM 597 O GLU A 1 -9.225 0.422 -4.818 1.00 -0.39 O HETATM 598 N GLU A 1 -8.318 1.834 -3.321 1.00 -0.26 N HETATM 599 CA GLU A 1 -8.908 3.035 -3.860 1.00 0.15 C HETATM 600 C GLU A 1 -7.788 3.821 -4.521 1.00 0.21 C HETATM 601 O GLU A 1 -6.676 3.847 -3.994 1.00 -0.39 O HETATM 602 N GLU A 1 -8.064 4.468 -5.646 1.00 -0.26 N HETATM 603 CA GLU A 1 -7.002 5.075 -6.439 1.00 0.13 C HETATM 604 C GLU A 1 -6.246 6.115 -5.628 1.00 0.20 C HETATM 605 O GLU A 1 -5.023 6.067 -5.530 1.00 -0.39 O HETATM 606 N GLU A 1 -6.970 7.054 -5.054 1.00 -0.26 N HETATM 607 CA GLU A 1 -6.348 8.101 -4.266 1.00 0.14 C HETATM 608 C GLU A 1 -6.878 8.043 -2.845 1.00 0.21 C HETATM 609 O GLU A 1 -7.985 8.505 -2.561 1.00 -0.39 O HETATM 610 N GLU A 1 -6.112 7.408 -1.949 1.00 -0.25 N HETATM 611 CA GLU A 1 -6.513 7.164 -0.576 1.00 0.13 C HETATM 612 C GLU A 1 -6.156 8.330 0.337 1.00 0.20 C HETATM 613 O GLU A 1 -4.985 8.686 0.485 1.00 -0.39 O HETATM 614 N GLU A 1 -7.171 8.941 0.923 1.00 -0.26 N HETATM 615 CA GLU A 1 -6.965 10.048 1.839 1.00 0.13 C HETATM 616 C GLU A 1 -7.485 9.678 3.220 1.00 0.20 C HETATM 617 O GLU A 1 -8.696 9.582 3.447 1.00 -0.39 O HETATM 618 N GLU A 1 -6.556 9.430 4.127 1.00 -0.27 N HETATM 619 CA GLU A 1 -6.883 8.969 5.464 1.00 0.11 C HETATM 620 C GLU A 1 -6.016 9.680 6.492 1.00 0.06 C HETATM 621 O GLU A 1 -6.537 10.018 7.576 1.00 -0.57 O HETATM 622 OXT GLU A 1 -4.828 9.945 6.193 1.00 -0.57 O HETATM 623 CB GLU A 1 -6.708 7.446 5.570 1.00 0.04 C HETATM 624 CG GLU A 1 -5.282 6.991 5.316 1.00 0.04 C HETATM 625 OD1 GLU A 1 -4.932 6.718 4.146 1.00 -0.57 O HETATM 626 OD2 GLU A 1 -4.500 6.906 6.282 1.00 -0.57 O HETATM 627 H GLU A 1 -7.342 6.986 4.812 1.00 0.05 H HETATM 628 H GLU A 1 -6.973 7.152 6.585 1.00 0.05 H HETATM 629 H GLU A 1 -7.928 9.206 5.667 1.00 0.07 H HETATM 630 H GLU A 1 -5.576 9.567 3.879 1.00 0.19 H HETATM 631 CB GLU A 1 -7.626 11.332 1.311 1.00 -0.00 C HETATM 632 CG GLU A 1 -9.089 11.166 0.924 1.00 -0.00 C HETATM 633 SD GLU A 1 -9.774 12.632 0.125 1.00 -0.16 S HETATM 634 CE GLU A 1 -8.722 12.749 -1.321 1.00 -0.02 C HETATM 635 H GLU A 1 -7.685 12.867 -1.006 1.00 0.03 H HETATM 636 H GLU A 1 -8.821 11.841 -1.915 1.00 0.03 H HETATM 637 H GLU A 1 -9.022 13.610 -1.918 1.00 0.03 H HETATM 638 H GLU A 1 -9.657 10.988 1.837 1.00 0.04 H HETATM 639 H GLU A 1 -9.155 10.339 0.216 1.00 0.04 H HETATM 640 H GLU A 1 -7.086 11.625 0.411 1.00 0.03 H HETATM 641 H GLU A 1 -7.587 12.068 2.114 1.00 0.03 H HETATM 642 H GLU A 1 -5.896 10.248 1.917 1.00 0.08 H HETATM 643 H GLU A 1 -8.121 8.627 0.727 1.00 0.19 H HETATM 644 CB GLU A 1 -5.714 5.899 -0.196 1.00 -0.01 C HETATM 645 CG GLU A 1 -4.791 5.624 -1.351 1.00 -0.03 C HETATM 646 CD GLU A 1 -4.778 6.865 -2.192 1.00 0.04 C HETATM 647 H GLU A 1 -3.976 7.556 -1.931 1.00 0.05 H HETATM 648 H GLU A 1 -4.575 6.671 -3.245 1.00 0.05 H HETATM 649 H GLU A 1 -5.134 4.766 -1.928 1.00 0.03 H HETATM 650 H GLU A 1 -3.788 5.381 -0.999 1.00 0.03 H HETATM 651 H GLU A 1 -6.378 5.054 -0.014 1.00 0.03 H HETATM 652 H GLU A 1 -5.154 6.050 0.727 1.00 0.03 H HETATM 653 H GLU A 1 -7.591 7.044 -0.470 1.00 0.08 H HETATM 654 CB GLU A 1 -6.583 9.482 -4.902 1.00 0.02 C HETATM 655 CG GLU A 1 -5.823 9.689 -6.201 1.00 -0.05 C HETATM 656 CD1 GLU A 1 -5.867 8.738 -7.211 1.00 -0.07 C HETATM 657 CE1 GLU A 1 -5.173 8.901 -8.387 1.00 -0.04 C HETATM 658 CZ GLU A 1 -4.416 10.036 -8.579 1.00 0.08 C HETATM 659 CE2 GLU A 1 -4.354 11.001 -7.593 1.00 -0.04 C HETATM 660 CD2 GLU A 1 -5.053 10.823 -6.413 1.00 -0.07 C HETATM 661 H GLU A 1 -4.998 11.586 -5.637 1.00 0.05 H HETATM 662 H GLU A 1 -3.756 11.900 -7.744 1.00 0.05 H HETATM 663 OH GLU A 1 -3.716 10.208 -9.754 1.00 -0.34 O HETATM 664 H GLU A 1 -3.865 9.453 -10.328 1.00 0.25 H HETATM 665 H GLU A 1 -5.221 8.137 -9.163 1.00 0.05 H HETATM 666 H GLU A 1 -6.467 7.839 -7.068 1.00 0.05 H HETATM 667 H GLU A 1 -6.232 10.232 -4.194 1.00 0.05 H HETATM 668 H GLU A 1 -7.646 9.561 -5.129 1.00 0.05 H HETATM 669 H GLU A 1 -5.270 7.942 -4.242 1.00 0.08 H HETATM 670 H GLU A 1 -7.984 7.045 -5.165 1.00 0.19 H HETATM 671 CB GLU A 1 -7.556 5.745 -7.697 1.00 -0.01 C HETATM 672 CG GLU A 1 -8.343 4.832 -8.618 1.00 -0.02 C HETATM 673 CD GLU A 1 -8.720 5.564 -9.893 1.00 0.06 C HETATM 674 NE GLU A 1 -9.745 4.862 -10.660 1.00 -0.27 N HETATM 675 CZ GLU A 1 -10.663 5.477 -11.404 1.00 0.29 C HETATM 676 NH1 GLU A 1 -10.694 6.804 -11.468 1.00 -0.28 N HETATM 677 H GLU A 1 -10.013 7.356 -10.946 1.00 0.26 H HETATM 678 H GLU A 1 -11.399 7.271 -12.039 1.00 0.26 H HETATM 679 NH2 GLU A 1 -11.562 4.767 -12.074 1.00 -0.28 N HETATM 680 H GLU A 1 -11.551 3.748 -12.020 1.00 0.26 H HETATM 681 H GLU A 1 -12.264 5.240 -12.643 1.00 0.26 H HETATM 682 H GLU A 1 -9.759 3.843 -10.624 1.00 0.26 H HETATM 683 H GLU A 1 -7.827 5.638 -10.514 1.00 0.07 H HETATM 684 H GLU A 1 -9.118 6.540 -9.615 1.00 0.07 H HETATM 685 H GLU A 1 -9.253 4.513 -8.109 1.00 0.03 H HETATM 686 H GLU A 1 -7.728 3.969 -8.873 1.00 0.03 H HETATM 687 H GLU A 1 -6.698 6.102 -8.267 1.00 0.03 H HETATM 688 H GLU A 1 -8.243 6.522 -7.362 1.00 0.03 H HETATM 689 H GLU A 1 -6.326 4.271 -6.729 1.00 0.08 H HETATM 690 H GLU A 1 -9.032 4.542 -5.960 1.00 0.19 H HETATM 691 CB GLU A 1 -9.553 3.842 -2.733 1.00 0.08 C HETATM 692 OG GLU A 1 -10.439 3.030 -1.973 1.00 -0.39 O HETATM 693 H GLU A 1 -9.951 2.298 -1.590 1.00 0.21 H HETATM 694 H GLU A 1 -10.118 4.665 -3.170 1.00 0.06 H HETATM 695 H GLU A 1 -8.768 4.216 -2.075 1.00 0.06 H HETATM 696 H GLU A 1 -9.687 2.806 -4.587 1.00 0.08 H HETATM 697 H GLU A 1 -7.803 1.893 -2.443 1.00 0.19 H HETATM 698 CB GLU A 1 -6.712 -1.088 -4.521 1.00 0.02 C HETATM 699 CG GLU A 1 -6.188 -0.120 -5.579 1.00 -0.05 C HETATM 700 CD1 GLU A 1 -5.675 1.127 -5.230 1.00 -0.07 C HETATM 701 CE1 GLU A 1 -5.240 2.019 -6.192 1.00 -0.04 C HETATM 702 CZ GLU A 1 -5.300 1.667 -7.518 1.00 0.08 C HETATM 703 CE2 GLU A 1 -5.784 0.451 -7.893 1.00 -0.04 C HETATM 704 CD2 GLU A 1 -6.233 -0.442 -6.934 1.00 -0.07 C HETATM 705 H GLU A 1 -6.627 -1.410 -7.244 1.00 0.05 H HETATM 706 H GLU A 1 -5.818 0.180 -8.948 1.00 0.05 H HETATM 707 OH GLU A 1 -4.896 2.545 -8.490 1.00 -0.34 O HETATM 708 H GLU A 1 -4.581 3.353 -8.079 1.00 0.25 H HETATM 709 H GLU A 1 -4.852 2.995 -5.900 1.00 0.05 H HETATM 710 H GLU A 1 -5.615 1.405 -4.178 1.00 0.05 H HETATM 711 H GLU A 1 -7.406 -1.765 -5.019 1.00 0.05 H HETATM 712 H GLU A 1 -5.847 -1.583 -4.080 1.00 0.05 H HETATM 713 H GLU A 1 -6.761 0.081 -2.716 1.00 0.08 H HETATM 714 H GLU A 1 -8.188 -2.362 -2.832 1.00 0.19 H HETATM 715 CB GLU A 1 -11.025 -2.088 -0.712 1.00 -0.01 C HETATM 716 CG GLU A 1 -11.474 -1.694 0.658 1.00 -0.03 C HETATM 717 CD GLU A 1 -10.409 -2.174 1.600 1.00 0.04 C HETATM 718 H GLU A 1 -10.368 -1.602 2.527 1.00 0.05 H HETATM 719 H GLU A 1 -10.581 -3.189 1.958 1.00 0.05 H HETATM 720 H GLU A 1 -12.441 -2.137 0.898 1.00 0.03 H HETATM 721 H GLU A 1 -11.608 -0.615 0.733 1.00 0.03 H HETATM 722 H GLU A 1 -11.453 -3.045 -1.010 1.00 0.03 H HETATM 723 H GLU A 1 -11.358 -1.369 -1.461 1.00 0.03 H HETATM 724 H GLU A 1 -9.076 -3.072 -1.071 1.00 0.08 H HETATM 725 CB GLU A 1 -7.225 -0.456 3.268 1.00 -0.01 C HETATM 726 CG GLU A 1 -6.122 -0.786 4.207 1.00 -0.03 C HETATM 727 CD GLU A 1 -5.571 -2.087 3.736 1.00 0.04 C HETATM 728 H GLU A 1 -4.800 -1.974 2.974 1.00 0.05 H HETATM 729 H GLU A 1 -5.049 -2.639 4.518 1.00 0.05 H HETATM 730 H GLU A 1 -6.480 -0.853 5.234 1.00 0.03 H HETATM 731 H GLU A 1 -5.358 -0.009 4.213 1.00 0.03 H HETATM 732 H GLU A 1 -7.993 0.150 3.748 1.00 0.03 H HETATM 733 H GLU A 1 -6.871 0.141 2.428 1.00 0.03 H HETATM 734 H GLU A 1 -8.773 -2.037 3.207 1.00 0.08 H HETATM 735 CB GLU A 1 -4.634 -5.100 2.752 1.00 -0.01 C HETATM 736 CG GLU A 1 -4.781 -6.466 2.188 1.00 -0.03 C HETATM 737 CD GLU A 1 -5.344 -7.297 3.296 1.00 0.04 C HETATM 738 H GLU A 1 -5.907 -8.158 2.935 1.00 0.05 H HETATM 739 H GLU A 1 -4.573 -7.753 3.917 1.00 0.05 H HETATM 740 H GLU A 1 -3.826 -6.859 1.839 1.00 0.03 H HETATM 741 H GLU A 1 -5.433 -6.470 1.315 1.00 0.03 H HETATM 742 H GLU A 1 -3.661 -4.964 3.224 1.00 0.03 H HETATM 743 H GLU A 1 -4.686 -4.337 1.975 1.00 0.03 H HETATM 744 H GLU A 1 -5.498 -4.434 4.681 1.00 0.08 H HETATM 745 CB GLU A 1 -8.949 -8.437 4.743 1.00 -0.01 C HETATM 746 CG GLU A 1 -9.547 -8.746 6.075 1.00 -0.03 C HETATM 747 CD GLU A 1 -8.444 -9.356 6.888 1.00 0.04 C HETATM 748 H GLU A 1 -8.583 -9.226 7.961 1.00 0.05 H HETATM 749 H GLU A 1 -8.388 -10.440 6.786 1.00 0.05 H HETATM 750 H GLU A 1 -10.393 -9.427 5.981 1.00 0.03 H HETATM 751 H GLU A 1 -9.939 -7.847 6.551 1.00 0.03 H HETATM 752 H GLU A 1 -9.088 -9.260 4.042 1.00 0.03 H HETATM 753 H GLU A 1 -9.430 -7.575 4.280 1.00 0.03 H HETATM 754 H GLU A 1 -6.799 -8.665 4.299 1.00 0.08 H HETATM 755 CB GLU A 1 -6.624 -7.988 9.421 1.00 0.08 C HETATM 756 OG GLU A 1 -5.738 -6.903 9.635 1.00 -0.39 O HETATM 757 H GLU A 1 -6.145 -6.272 10.233 1.00 0.21 H HETATM 758 H GLU A 1 -6.826 -8.471 10.377 1.00 0.06 H HETATM 759 H GLU A 1 -7.544 -7.608 8.977 1.00 0.06 H HETATM 760 H GLU A 1 -6.548 -9.956 8.533 1.00 0.08 H HETATM 761 H GLU A 1 -4.250 -8.737 9.666 1.00 0.19 H HETATM 762 CB GLU A 1 -1.724 -8.718 8.186 1.00 -0.00 C HETATM 763 CG GLU A 1 -0.465 -8.356 8.951 1.00 0.00 C HETATM 764 CD GLU A 1 -0.752 -8.000 10.395 1.00 0.04 C HETATM 765 OE1 GLU A 1 -0.789 -8.909 11.246 1.00 -0.57 O HETATM 766 OE2 GLU A 1 -0.951 -6.802 10.687 1.00 -0.57 O HETATM 767 H GLU A 1 -0.016 -7.486 8.471 1.00 0.04 H HETATM 768 H GLU A 1 0.197 -9.222 8.941 1.00 0.04 H HETATM 769 H GLU A 1 -2.455 -7.933 8.378 1.00 0.03 H HETATM 770 H GLU A 1 -1.446 -8.820 7.137 1.00 0.03 H HETATM 771 H GLU A 1 -2.303 -10.138 9.702 1.00 0.08 H HETATM 772 H GLU A 1 -1.391 -11.126 7.040 1.00 0.19 H HETATM 773 CB GLU A 1 0.720 -13.754 8.809 1.00 -0.01 C HETATM 774 CG GLU A 1 1.531 -14.897 8.192 1.00 -0.04 C HETATM 775 CD1 GLU A 1 2.721 -15.240 9.071 1.00 -0.06 C HETATM 776 H GLU A 1 3.362 -14.364 9.171 1.00 0.02 H HETATM 777 H GLU A 1 2.368 -15.547 10.055 1.00 0.02 H HETATM 778 H GLU A 1 3.285 -16.054 8.616 1.00 0.02 H HETATM 779 CD2 GLU A 1 0.656 -16.122 7.978 1.00 -0.06 C HETATM 780 H GLU A 1 0.254 -16.451 8.936 1.00 0.02 H HETATM 781 H GLU A 1 -0.164 -15.868 7.306 1.00 0.02 H HETATM 782 H GLU A 1 1.253 -16.921 7.539 1.00 0.02 H HETATM 783 H GLU A 1 1.902 -14.568 7.221 1.00 0.03 H HETATM 784 H GLU A 1 0.341 -14.118 9.764 1.00 0.03 H HETATM 785 H GLU A 1 1.388 -12.895 8.874 1.00 0.03 H HETATM 786 H GLU A 1 -1.166 -14.157 7.859 1.00 0.08 H HETATM 787 H GLU A 1 -0.516 -13.303 5.840 1.00 0.19 H HETATM 788 CB GLU A 1 -0.123 -10.976 4.317 1.00 0.02 C HETATM 789 CG GLU A 1 0.146 -10.310 2.972 1.00 0.01 C HETATM 790 CD GLU A 1 0.605 -11.284 1.907 1.00 0.04 C HETATM 791 OE1 GLU A 1 1.796 -11.650 1.907 1.00 -0.57 O HETATM 792 OE2 GLU A 1 -0.227 -11.704 1.081 1.00 -0.57 O HETATM 793 H GLU A 1 0.942 -9.580 3.118 1.00 0.04 H HETATM 794 H GLU A 1 -0.788 -9.863 2.631 1.00 0.04 H HETATM 795 H GLU A 1 -0.515 -10.206 4.982 1.00 0.04 H HETATM 796 H GLU A 1 -0.807 -11.804 4.132 1.00 0.04 H HETATM 797 H GLU A 1 1.922 -10.823 4.955 1.00 0.11 H HETATM 798 H GLU A 1 2.424 -13.145 4.761 1.00 0.20 H HETATM 799 H GLU A 1 0.861 -13.483 4.293 1.00 0.20 H HETATM 800 H GLU A 1 1.834 -12.538 3.325 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 562 563 798 799 800 CONECT 563 562 564 788 797 CONECT 564 563 565 566 CONECT 565 564 CONECT 566 564 567 787 CONECT 567 566 568 773 786 CONECT 568 567 569 570 CONECT 569 568 CONECT 570 568 571 772 CONECT 571 570 572 762 771 CONECT 572 571 573 574 CONECT 573 572 CONECT 574 572 575 761 CONECT 575 574 576 755 760 CONECT 576 575 577 578 CONECT 577 576 CONECT 578 576 579 747 CONECT 579 578 580 745 754 CONECT 580 579 581 582 CONECT 581 580 CONECT 582 580 583 737 CONECT 583 582 584 735 744 CONECT 584 583 585 586 CONECT 585 584 CONECT 586 584 587 727 CONECT 587 586 588 725 734 CONECT 588 587 589 590 CONECT 589 588 CONECT 590 588 591 717 CONECT 591 590 592 715 724 CONECT 592 591 593 594 CONECT 593 592 CONECT 594 592 595 714 CONECT 595 594 596 698 713 CONECT 596 595 597 598 CONECT 597 596 CONECT 598 596 599 697 CONECT 599 598 600 691 696 CONECT 600 599 601 602 CONECT 601 600 CONECT 602 600 603 690 CONECT 603 602 604 671 689 CONECT 604 603 605 606 CONECT 605 604 CONECT 606 604 607 670 CONECT 607 606 608 654 669 CONECT 608 607 609 610 CONECT 609 608 CONECT 610 608 611 646 CONECT 611 610 612 644 653 CONECT 612 611 613 614 CONECT 613 612 CONECT 614 612 615 643 CONECT 615 614 616 631 642 CONECT 616 615 617 618 CONECT 617 616 CONECT 618 616 619 630 CONECT 619 618 620 623 629 CONECT 620 619 621 622 CONECT 621 620 CONECT 622 620 CONECT 623 619 624 627 628 CONECT 624 623 625 626 CONECT 625 624 CONECT 626 624 CONECT 627 623 CONECT 628 623 CONECT 629 619 CONECT 630 618 CONECT 631 615 632 640 641 CONECT 632 631 633 638 639 CONECT 633 632 634 CONECT 634 633 635 636 637 CONECT 635 634 CONECT 636 634 CONECT 637 634 CONECT 638 632 CONECT 639 632 CONECT 640 631 CONECT 641 631 CONECT 642 615 CONECT 643 614 CONECT 644 611 645 651 652 CONECT 645 644 646 649 650 CONECT 646 610 645 647 648 CONECT 647 646 CONECT 648 646 CONECT 649 645 CONECT 650 645 CONECT 651 644 CONECT 652 644 CONECT 653 611 CONECT 654 607 655 667 668 CONECT 655 654 656 660 CONECT 656 655 657 666 CONECT 657 656 658 665 CONECT 658 657 659 663 CONECT 659 658 660 662 CONECT 660 655 659 661 CONECT 661 660 CONECT 662 659 CONECT 663 658 664 CONECT 664 663 CONECT 665 657 CONECT 666 656 CONECT 667 654 CONECT 668 654 CONECT 669 607 CONECT 670 606 CONECT 671 603 672 687 688 CONECT 672 671 673 685 686 CONECT 673 672 674 683 684 CONECT 674 673 675 682 CONECT 675 674 676 679 CONECT 676 675 677 678 CONECT 677 676 CONECT 678 676 CONECT 679 675 680 681 CONECT 680 679 CONECT 681 679 CONECT 682 674 CONECT 683 673 CONECT 684 673 CONECT 685 672 CONECT 686 672 CONECT 687 671 CONECT 688 671 CONECT 689 603 CONECT 690 602 CONECT 691 599 692 694 695 CONECT 692 691 693 CONECT 693 692 CONECT 694 691 CONECT 695 691 CONECT 696 599 CONECT 697 598 CONECT 698 595 699 711 712 CONECT 699 698 700 704 CONECT 700 699 701 710 CONECT 701 700 702 709 CONECT 702 701 703 707 CONECT 703 702 704 706 CONECT 704 699 703 705 CONECT 705 704 CONECT 706 703 CONECT 707 702 708 CONECT 708 707 CONECT 709 701 CONECT 710 700 CONECT 711 698 CONECT 712 698 CONECT 713 595 CONECT 714 594 CONECT 715 591 716 722 723 CONECT 716 715 717 720 721 CONECT 717 590 716 718 719 CONECT 718 717 CONECT 719 717 CONECT 720 716 CONECT 721 716 CONECT 722 715 CONECT 723 715 CONECT 724 591 CONECT 725 587 726 732 733 CONECT 726 725 727 730 731 CONECT 727 586 726 728 729 CONECT 728 727 CONECT 729 727 CONECT 730 726 CONECT 731 726 CONECT 732 725 CONECT 733 725 CONECT 734 587 CONECT 735 583 736 742 743 CONECT 736 735 737 740 741 CONECT 737 582 736 738 739 CONECT 738 737 CONECT 739 737 CONECT 740 736 CONECT 741 736 CONECT 742 735 CONECT 743 735 CONECT 744 583 CONECT 745 579 746 752 753 CONECT 746 745 747 750 751 CONECT 747 578 746 748 749 CONECT 748 747 CONECT 749 747 CONECT 750 746 CONECT 751 746 CONECT 752 745 CONECT 753 745 CONECT 754 579 CONECT 755 575 756 758 759 CONECT 756 755 757 CONECT 757 756 CONECT 758 755 CONECT 759 755 CONECT 760 575 CONECT 761 574 CONECT 762 571 763 769 770 CONECT 763 762 764 767 768 CONECT 764 763 765 766 CONECT 765 764 CONECT 766 764 CONECT 767 763 CONECT 768 763 CONECT 769 762 CONECT 770 762 CONECT 771 571 CONECT 772 570 CONECT 773 567 774 784 785 CONECT 774 773 775 779 783 CONECT 775 774 776 777 778 CONECT 776 775 CONECT 777 775 CONECT 778 775 CONECT 779 774 780 781 782 CONECT 780 779 CONECT 781 779 CONECT 782 779 CONECT 783 774 CONECT 784 773 CONECT 785 773 CONECT 786 567 CONECT 787 566 CONECT 788 563 789 795 796 CONECT 789 788 790 793 794 CONECT 790 789 791 792 CONECT 791 790 CONECT 792 790 CONECT 793 789 CONECT 794 789 CONECT 795 788 CONECT 796 788 CONECT 797 563 CONECT 798 562 CONECT 799 562 CONECT 800 562 MASTER 0 0 0 0 0 0 0 0 799 1 243 3 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: 2ltx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2djy
RCSB PDB
PDBbind
20aa, >2DJY_2|Chain... *
2ltv
RCSB PDB
PDBbind
12aa, >2LTV_2|Chain... at 100%
2ltw
RCSB PDB
PDBbind
14aa, >2LTW_2|Chain... at 92%
2lty
RCSB PDB
PDBbind
15aa, >2LTY_2|Chain... at 100%
2ltz
RCSB PDB
PDBbind
15aa, >2LTZ_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
2ltx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase SMURF1
Ligand Name
15-mer
EC.Number
E.C.6.3.2
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=4.1uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Structure Vol. 20: pp. 1726-1736
Ligand Properties
Formula
C
8
0
H
1
1
8
N
1
8
O
2
6
S
Molecular Weight
1779.960
Exact Mass
1778.820
No. of atoms
243
No. of bonds
249
Polar Surface Area
712.52
LOGP Value
1.53 (
Computed with XLOGP3
)
-3.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 26
No. of Rotatable Bonds: 61
No. of Nitrogen and Oxygen Atoms: 44
No. of Rings: 7
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[NH3+])CC(C)C)CCC(=O)O)CO)Cc1ccc(cc1)O)CO)CCC[NH+]=C(N)N)Cc1ccc(cc1)O
InChI String
InChI=1S/C80H116N18O26S/c1-42(2)36-51(88-65(109)47(81)24-26-62(103)104)69(113)86-49(25-27-63(105)106)67(111)93-56(41-100)75(119)96-32-7-13-59(96)77(121)98-34-9-15-61(98)78(122)97-33-8-14-60(97)76(120)95-31-6-12-58(95)73(117)89-52(37-43-16-20-45(101)21-17-43)70(114)92-55(40-99)71(115)85-48(10-4-29-84-80(82)83)66(110)90-53(38-44-18-22-46(102)23-19-44)74(118)94-30-5-11-57(94)72(116)87-50(28-35-125-3)68(112)91-54(79(123)124)39-64(107)108/h16-23,42,47-61,99-102H,4-15,24-41,81H2,1-3H3,(H,85,115)(H,86,113)(H,87,116)(H,88,109)(H,89,117)(H,90,110)(H,91,112)(H,92,114)(H,93,111)(H,103,104)(H,105,106)(H,107,108)(H,123,124)(H4,82,83,84)/p+2/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/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):
Q9HCE7
O15105
Entrez Gene ID
NCBI Entrez Gene ID:
57154
4092
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