Browse entries in the PDBbind-CN Database
HEADER 4Z89_COMPLEX COMPND 4Z89_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 65 PHE ARG TYR PHE VAL ALA MET PHE ASP TYR ASP PRO SER SEQRES 2 A 65 THR MET SER PRO ASN PRO ASP GLY CYS ASP GLU GLU LEU SEQRES 3 A 65 PRO PHE GLN GLU GLY ASP THR ILE LYS VAL PHE GLY ASP SEQRES 4 A 65 LYS ASP ALA ASP GLY PHE TYR TRP GLY GLU LEU ARG GLY SEQRES 5 A 65 ARG ARG GLY TYR VAL PRO HIS ASN MET VAL SER GLU VAL HET GLY A 85 191 ATOM 1 N PHE A1317 -36.951 28.674 -15.076 1.00 64.64 N ATOM 2 CA PHE A1317 -35.597 28.536 -14.549 1.00 71.08 C ATOM 3 C PHE A1317 -35.286 29.644 -13.538 1.00 69.60 C ATOM 4 O PHE A1317 -35.681 30.795 -13.717 1.00 64.25 O ATOM 5 CB PHE A1317 -34.562 28.548 -15.679 1.00 68.60 C ATOM 6 CG PHE A1317 -34.481 29.849 -16.418 1.00 69.37 C ATOM 7 CD1 PHE A1317 -33.581 30.823 -16.015 1.00 70.30 C ATOM 8 CD2 PHE A1317 -35.299 30.105 -17.507 1.00 73.88 C ATOM 9 CE1 PHE A1317 -33.492 32.024 -16.681 1.00 75.47 C ATOM 10 CE2 PHE A1317 -35.214 31.312 -18.184 1.00 76.73 C ATOM 11 CZ PHE A1317 -34.308 32.272 -17.768 1.00 77.96 C ATOM 12 HN3 PHE A1317 -37.045 29.595 -15.550 1.00 0.00 H ATOM 13 HN2 PHE A1317 -37.634 28.614 -14.294 1.00 0.00 H ATOM 14 HN1 PHE A1317 -37.136 27.911 -15.758 1.00 0.00 H ATOM 15 N ARG A1318 -34.583 29.295 -12.471 1.00 64.04 N ATOM 16 CA ARG A1318 -34.215 30.282 -11.469 1.00 51.81 C ATOM 17 C ARG A1318 -32.703 30.416 -11.408 1.00 49.93 C ATOM 18 O ARG A1318 -31.977 29.499 -11.794 1.00 40.89 O ATOM 19 CB ARG A1318 -34.756 29.917 -10.081 1.00 43.91 C ATOM 20 CG ARG A1318 -36.247 30.148 -9.878 1.00 43.26 C ATOM 21 CD ARG A1318 -36.754 29.485 -8.597 1.00 46.81 C ATOM 22 NE ARG A1318 -36.291 28.108 -8.435 1.00 50.76 N ATOM 23 CZ ARG A1318 -36.362 27.414 -7.302 1.00 42.49 C ATOM 24 NH1 ARG A1318 -36.838 27.973 -6.200 1.00 44.09 N ATOM 25 NH2 ARG A1318 -35.924 26.164 -7.267 1.00 39.28 N ATOM 26 HE ARG A1318 -35.877 27.637 -9.265 1.00 0.00 H ATOM 27 HH12 ARG A1318 -36.890 27.423 -5.319 1.00 0.00 H ATOM 28 HH11 ARG A1318 -37.160 28.962 -6.216 1.00 0.00 H ATOM 29 HH22 ARG A1318 -35.978 25.619 -6.383 1.00 0.00 H ATOM 30 HH21 ARG A1318 -35.526 25.728 -8.123 1.00 0.00 H ATOM 31 H ARG A1318 -34.291 28.304 -12.349 1.00 0.00 H ATOM 32 N TYR A1319 -32.239 31.580 -10.962 1.00 50.85 N ATOM 33 CA TYR A1319 -30.814 31.805 -10.739 1.00 44.83 C ATOM 34 C TYR A1319 -30.477 31.715 -9.266 1.00 45.44 C ATOM 35 O TYR A1319 -31.187 32.254 -8.413 1.00 41.77 O ATOM 36 CB TYR A1319 -30.371 33.171 -11.268 1.00 43.07 C ATOM 37 CG TYR A1319 -30.100 33.231 -12.748 1.00 44.93 C ATOM 38 CD1 TYR A1319 -29.310 32.279 -13.358 1.00 51.59 C ATOM 39 CD2 TYR A1319 -30.637 34.235 -13.533 1.00 51.52 C ATOM 40 CE1 TYR A1319 -29.046 32.332 -14.704 1.00 58.64 C ATOM 41 CE2 TYR A1319 -30.388 34.293 -14.886 1.00 57.31 C ATOM 42 CZ TYR A1319 -29.592 33.337 -15.466 1.00 63.51 C ATOM 43 OH TYR A1319 -29.335 33.380 -16.813 1.00 75.62 O ATOM 44 HH TYR A1319 -28.749 32.621 -17.060 1.00 0.00 H ATOM 45 H TYR A1319 -32.910 32.351 -10.767 1.00 0.00 H ATOM 46 N PHE A1320 -29.392 31.005 -8.978 1.00 45.18 N ATOM 47 CA PHE A1320 -28.857 30.935 -7.631 1.00 44.58 C ATOM 48 C PHE A1320 -27.417 31.419 -7.717 1.00 45.93 C ATOM 49 O PHE A1320 -26.750 31.205 -8.732 1.00 40.48 O ATOM 50 CB PHE A1320 -28.916 29.516 -7.042 1.00 47.48 C ATOM 51 CG PHE A1320 -30.317 29.011 -6.757 1.00 49.43 C ATOM 52 CD1 PHE A1320 -31.342 29.145 -7.683 1.00 33.69 C ATOM 53 CD2 PHE A1320 -30.618 28.461 -5.522 1.00 44.97 C ATOM 54 CE1 PHE A1320 -32.616 28.687 -7.409 1.00 34.60 C ATOM 55 CE2 PHE A1320 -31.895 28.018 -5.237 1.00 40.47 C ATOM 56 CZ PHE A1320 -32.896 28.129 -6.185 1.00 40.23 C ATOM 57 H PHE A1320 -28.912 30.484 -9.740 1.00 0.00 H ATOM 58 N VAL A1321 -26.933 32.068 -6.663 1.00 52.56 N ATOM 59 CA VAL A1321 -25.540 32.489 -6.637 1.00 44.52 C ATOM 60 C VAL A1321 -24.782 31.628 -5.641 1.00 37.59 C ATOM 61 O VAL A1321 -25.251 31.383 -4.529 1.00 45.27 O ATOM 62 CB VAL A1321 -25.407 33.988 -6.277 1.00 42.13 C ATOM 63 CG1 VAL A1321 -24.134 34.260 -5.501 1.00 32.24 C ATOM 64 CG2 VAL A1321 -25.427 34.823 -7.541 1.00 39.43 C ATOM 65 H VAL A1321 -27.552 32.276 -5.854 1.00 0.00 H ATOM 66 N ALA A1322 -23.608 31.166 -6.051 1.00 29.79 N ATOM 67 CA ALA A1322 -22.790 30.326 -5.198 1.00 43.72 C ATOM 68 C ALA A1322 -22.219 31.138 -4.039 1.00 44.59 C ATOM 69 O ALA A1322 -21.640 32.207 -4.240 1.00 55.48 O ATOM 70 CB ALA A1322 -21.676 29.681 -6.005 1.00 28.30 C ATOM 71 H ALA A1322 -23.268 31.411 -7.003 1.00 0.00 H ATOM 72 N MET A1323 -22.391 30.636 -2.823 1.00 33.81 N ATOM 73 CA MET A1323 -21.868 31.319 -1.645 1.00 41.10 C ATOM 74 C MET A1323 -20.514 30.741 -1.264 1.00 40.84 C ATOM 75 O MET A1323 -19.784 31.322 -0.459 1.00 44.36 O ATOM 76 CB MET A1323 -22.837 31.193 -0.462 1.00 39.71 C ATOM 77 CG MET A1323 -24.232 31.782 -0.690 1.00 45.76 C ATOM 78 SD MET A1323 -25.325 31.606 0.745 1.00109.22 S ATOM 79 CE MET A1323 -25.819 29.886 0.611 1.00 43.09 C ATOM 80 H MET A1323 -22.907 29.741 -2.708 1.00 0.00 H ATOM 81 N PHE A1324 -20.183 29.590 -1.840 1.00 37.36 N ATOM 82 CA PHE A1324 -18.954 28.900 -1.473 1.00 34.51 C ATOM 83 C PHE A1324 -18.299 28.273 -2.693 1.00 33.08 C ATOM 84 O PHE A1324 -18.994 27.899 -3.639 1.00 29.54 O ATOM 85 CB PHE A1324 -19.264 27.827 -0.431 1.00 45.51 C ATOM 86 CG PHE A1324 -19.873 28.367 0.833 1.00 49.25 C ATOM 87 CD1 PHE A1324 -19.103 29.070 1.744 1.00 50.40 C ATOM 88 CD2 PHE A1324 -21.223 28.188 1.096 1.00 49.86 C ATOM 89 CE1 PHE A1324 -19.661 29.566 2.913 1.00 54.99 C ATOM 90 CE2 PHE A1324 -21.792 28.684 2.255 1.00 53.10 C ATOM 91 CZ PHE A1324 -21.007 29.375 3.167 1.00 58.20 C ATOM 92 H PHE A1324 -20.809 29.177 -2.561 1.00 0.00 H ATOM 93 N ASP A1325 -16.977 28.104 -2.651 1.00 41.65 N ATOM 94 CA ASP A1325 -16.287 27.290 -3.655 1.00 49.82 C ATOM 95 C ASP A1325 -16.714 25.842 -3.445 1.00 55.52 C ATOM 96 O ASP A1325 -16.878 25.422 -2.306 1.00 62.57 O ATOM 97 CB ASP A1325 -14.758 27.409 -3.525 1.00 43.45 C ATOM 98 CG ASP A1325 -14.228 28.787 -3.887 1.00 40.53 C ATOM 99 OD1 ASP A1325 -14.918 29.538 -4.601 1.00 40.80 O ATOM 100 OD2 ASP A1325 -13.110 29.124 -3.442 1.00 47.70 O ATOM 101 H ASP A1325 -16.427 28.557 -1.894 1.00 0.00 H ATOM 102 N TYR A1326 -16.909 25.075 -4.518 1.00 46.33 N ATOM 103 CA TYR A1326 -17.262 23.664 -4.345 1.00 35.03 C ATOM 104 C TYR A1326 -16.592 22.762 -5.378 1.00 38.92 C ATOM 105 O TYR A1326 -16.844 22.873 -6.577 1.00 44.79 O ATOM 106 CB TYR A1326 -18.777 23.485 -4.422 1.00 32.87 C ATOM 107 CG TYR A1326 -19.278 22.107 -4.046 1.00 41.14 C ATOM 108 CD1 TYR A1326 -19.005 21.571 -2.793 1.00 42.48 C ATOM 109 CD2 TYR A1326 -20.033 21.349 -4.930 1.00 44.78 C ATOM 110 CE1 TYR A1326 -19.466 20.323 -2.430 1.00 33.33 C ATOM 111 CE2 TYR A1326 -20.496 20.092 -4.576 1.00 37.41 C ATOM 112 CZ TYR A1326 -20.207 19.587 -3.325 1.00 35.01 C ATOM 113 OH TYR A1326 -20.656 18.341 -2.951 1.00 27.11 O ATOM 114 HH TYR A1326 -20.289 17.660 -3.569 1.00 0.00 H ATOM 115 H TYR A1326 -16.811 25.476 -5.472 1.00 0.00 H ATOM 116 N ASP A1327 -15.735 21.873 -4.886 1.00 40.12 N ATOM 117 CA ASP A1327 -15.042 20.890 -5.702 1.00 33.94 C ATOM 118 C ASP A1327 -15.437 19.502 -5.246 1.00 35.56 C ATOM 119 O ASP A1327 -14.854 18.969 -4.311 1.00 47.72 O ATOM 120 CB ASP A1327 -13.530 21.085 -5.612 1.00 25.98 C ATOM 121 CG ASP A1327 -12.760 20.094 -6.461 1.00 39.14 C ATOM 122 OD1 ASP A1327 -13.341 19.514 -7.403 1.00 44.31 O ATOM 123 OD2 ASP A1327 -11.557 19.905 -6.193 1.00 42.58 O ATOM 124 H ASP A1327 -15.551 21.881 -3.863 1.00 0.00 H ATOM 125 N PRO A1328 -16.442 18.922 -5.910 1.00 34.71 N ATOM 126 CA PRO A1328 -17.029 17.618 -5.584 1.00 33.45 C ATOM 127 C PRO A1328 -16.013 16.479 -5.491 1.00 38.90 C ATOM 128 O PRO A1328 -16.283 15.481 -4.821 1.00 41.16 O ATOM 129 CB PRO A1328 -18.002 17.379 -6.740 1.00 32.92 C ATOM 130 CG PRO A1328 -18.377 18.754 -7.198 1.00 35.13 C ATOM 131 CD PRO A1328 -17.127 19.563 -7.049 1.00 25.59 C ATOM 132 N SER A1329 -14.875 16.617 -6.162 1.00 26.52 N ATOM 133 CA SER A1329 -13.818 15.620 -6.080 1.00 27.04 C ATOM 134 C SER A1329 -13.305 15.454 -4.664 1.00 43.89 C ATOM 135 O SER A1329 -13.031 14.340 -4.215 1.00 62.45 O ATOM 136 CB SER A1329 -12.661 16.000 -6.990 1.00 32.33 C ATOM 137 OG SER A1329 -11.565 15.127 -6.780 1.00 33.62 O ATOM 138 HG SER A1329 -11.270 15.190 -5.837 1.00 0.00 H ATOM 139 H SER A1329 -14.736 17.457 -6.760 1.00 0.00 H ATOM 140 N THR A1330 -13.168 16.578 -3.971 1.00 30.89 N ATOM 141 CA THR A1330 -12.523 16.612 -2.666 1.00 34.16 C ATOM 142 C THR A1330 -13.467 16.973 -1.528 1.00 36.42 C ATOM 143 O THR A1330 -13.109 16.852 -0.356 1.00 43.10 O ATOM 144 CB THR A1330 -11.371 17.633 -2.665 1.00 36.07 C ATOM 145 OG1 THR A1330 -11.899 18.940 -2.932 1.00 27.72 O ATOM 146 CG2 THR A1330 -10.363 17.290 -3.746 1.00 32.90 C ATOM 147 HG1 THR A1330 -12.344 18.941 -3.817 1.00 0.00 H ATOM 148 H THR A1330 -13.534 17.464 -4.374 1.00 0.00 H ATOM 149 N MET A1331 -14.676 17.397 -1.877 1.00 27.86 N ATOM 150 CA MET A1331 -15.605 17.966 -0.903 1.00 37.05 C ATOM 151 C MET A1331 -16.942 17.247 -0.880 1.00 42.91 C ATOM 152 O MET A1331 -17.763 17.495 -0.002 1.00 52.13 O ATOM 153 CB MET A1331 -15.847 19.448 -1.191 1.00 32.78 C ATOM 154 CG MET A1331 -14.595 20.304 -1.133 1.00 27.79 C ATOM 155 SD MET A1331 -14.827 21.961 -1.804 1.00 38.34 S ATOM 156 CE MET A1331 -16.113 22.599 -0.733 1.00 89.90 C ATOM 157 H MET A1331 -14.970 17.322 -2.872 1.00 0.00 H ATOM 158 N SER A1332 -17.182 16.378 -1.854 1.00 37.69 N ATOM 159 CA SER A1332 -18.459 15.684 -1.888 1.00 44.10 C ATOM 160 C SER A1332 -18.357 14.347 -1.176 1.00 43.73 C ATOM 161 O SER A1332 -17.383 13.609 -1.354 1.00 42.00 O ATOM 162 CB SER A1332 -18.947 15.478 -3.325 1.00 46.46 C ATOM 163 OG SER A1332 -20.193 14.796 -3.342 1.00 48.61 O ATOM 164 HG SER A1332 -20.488 14.674 -4.279 1.00 0.00 H ATOM 165 H SER A1332 -16.465 16.196 -2.585 1.00 0.00 H ATOM 166 N PRO A1333 -19.373 14.042 -0.358 1.00 39.12 N ATOM 167 CA PRO A1333 -19.542 12.772 0.354 1.00 41.59 C ATOM 168 C PRO A1333 -20.037 11.673 -0.558 1.00 40.09 C ATOM 169 O PRO A1333 -20.142 10.522 -0.130 1.00 35.38 O ATOM 170 CB PRO A1333 -20.589 13.101 1.414 1.00 45.67 C ATOM 171 CG PRO A1333 -21.367 14.227 0.830 1.00 45.42 C ATOM 172 CD PRO A1333 -20.366 15.043 0.066 1.00 39.28 C ATOM 173 N ASN A1334 -20.333 12.048 -1.801 1.00 45.53 N ATOM 174 CA ASN A1334 -20.813 11.126 -2.819 1.00 30.25 C ATOM 175 C ASN A1334 -19.634 10.703 -3.665 1.00 30.16 C ATOM 176 O ASN A1334 -18.997 11.539 -4.309 1.00 45.15 O ATOM 177 CB ASN A1334 -21.885 11.790 -3.679 1.00 32.06 C ATOM 178 CG ASN A1334 -22.953 12.468 -2.848 1.00 46.87 C ATOM 179 OD1 ASN A1334 -23.781 11.801 -2.229 1.00 60.86 O ATOM 180 ND2 ASN A1334 -22.943 13.797 -2.828 1.00 45.77 N ATOM 181 HD22 ASN A1334 -22.223 14.320 -3.367 1.00 0.00 H ATOM 182 HD21 ASN A1334 -23.655 14.314 -2.273 1.00 0.00 H ATOM 183 H ASN A1334 -20.215 13.049 -2.057 1.00 0.00 H ATOM 184 N PRO A1335 -19.337 9.399 -3.676 1.00 31.08 N ATOM 185 CA PRO A1335 -18.157 8.954 -4.418 1.00 31.18 C ATOM 186 C PRO A1335 -18.302 9.190 -5.914 1.00 36.16 C ATOM 187 O PRO A1335 -17.299 9.178 -6.622 1.00 44.26 O ATOM 188 CB PRO A1335 -18.079 7.457 -4.091 1.00 35.93 C ATOM 189 CG PRO A1335 -19.474 7.077 -3.719 1.00 36.27 C ATOM 190 CD PRO A1335 -20.037 8.281 -3.020 1.00 32.21 C ATOM 191 N ASP A1336 -19.533 9.397 -6.374 1.00 40.72 N ATOM 192 CA ASP A1336 -19.805 9.673 -7.780 1.00 44.62 C ATOM 193 C ASP A1336 -19.957 11.170 -8.054 1.00 48.60 C ATOM 194 O ASP A1336 -20.162 11.572 -9.197 1.00 53.65 O ATOM 195 CB ASP A1336 -21.070 8.946 -8.228 1.00 31.43 C ATOM 196 CG ASP A1336 -22.299 9.402 -7.467 1.00 34.33 C ATOM 197 OD1 ASP A1336 -22.218 9.567 -6.234 1.00 31.20 O ATOM 198 OD2 ASP A1336 -23.352 9.601 -8.106 1.00 48.50 O ATOM 199 H ASP A1336 -20.330 9.361 -5.707 1.00 0.00 H ATOM 200 N GLY A1337 -19.868 11.987 -7.007 1.00 48.63 N ATOM 201 CA GLY A1337 -20.149 13.412 -7.105 1.00 43.97 C ATOM 202 C GLY A1337 -19.340 14.149 -8.159 1.00 39.52 C ATOM 203 O GLY A1337 -19.757 15.180 -8.688 1.00 30.41 O ATOM 204 H GLY A1337 -19.588 11.593 -6.086 1.00 0.00 H ATOM 205 N CYS A1338 -18.171 13.612 -8.474 1.00 43.08 N ATOM 206 CA CYS A1338 -17.275 14.265 -9.410 1.00 42.99 C ATOM 207 C CYS A1338 -17.842 14.314 -10.831 1.00 51.38 C ATOM 208 O CYS A1338 -17.569 15.247 -11.589 1.00 55.91 O ATOM 209 CB CYS A1338 -15.936 13.528 -9.413 1.00 42.04 C ATOM 210 SG CYS A1338 -14.512 14.543 -9.786 1.00 36.30 S ATOM 211 H CYS A1338 -17.891 12.708 -8.044 1.00 0.00 H ATOM 212 N ASP A1339 -18.643 13.319 -11.188 1.00 47.11 N ATOM 213 CA ASP A1339 -19.237 13.281 -12.517 1.00 43.58 C ATOM 214 C ASP A1339 -20.661 13.827 -12.537 1.00 42.58 C ATOM 215 O ASP A1339 -21.141 14.277 -13.573 1.00 47.79 O ATOM 216 CB ASP A1339 -19.212 11.860 -13.069 1.00 48.82 C ATOM 217 CG ASP A1339 -17.828 11.439 -13.519 1.00 55.44 C ATOM 218 OD1 ASP A1339 -16.868 12.215 -13.322 1.00 52.00 O ATOM 219 OD2 ASP A1339 -17.701 10.335 -14.090 1.00 62.92 O ATOM 220 H ASP A1339 -18.849 12.557 -10.511 1.00 0.00 H ATOM 221 N GLU A1340 -21.330 13.793 -11.389 1.00 39.27 N ATOM 222 CA GLU A1340 -22.744 14.150 -11.324 1.00 39.95 C ATOM 223 C GLU A1340 -23.043 15.465 -10.580 1.00 32.43 C ATOM 224 O GLU A1340 -24.124 16.030 -10.746 1.00 33.35 O ATOM 225 CB GLU A1340 -23.550 12.993 -10.716 1.00 46.67 C ATOM 226 CG GLU A1340 -23.683 11.760 -11.618 1.00 49.01 C ATOM 227 CD GLU A1340 -24.536 12.032 -12.863 1.00 54.02 C ATOM 228 OE1 GLU A1340 -25.194 13.099 -12.919 1.00 43.48 O ATOM 229 OE2 GLU A1340 -24.550 11.186 -13.790 1.00 59.06 O ATOM 230 H GLU A1340 -20.836 13.506 -10.520 1.00 0.00 H ATOM 231 N GLU A1341 -22.116 15.952 -9.760 1.00 29.75 N ATOM 232 CA GLU A1341 -22.340 17.229 -9.078 1.00 35.44 C ATOM 233 C GLU A1341 -21.518 18.348 -9.708 1.00 39.72 C ATOM 234 O GLU A1341 -20.332 18.184 -10.012 1.00 40.53 O ATOM 235 CB GLU A1341 -22.023 17.138 -7.588 1.00 38.51 C ATOM 236 CG GLU A1341 -22.832 16.111 -6.845 1.00 36.75 C ATOM 237 CD GLU A1341 -22.324 15.902 -5.447 1.00 39.39 C ATOM 238 OE1 GLU A1341 -21.458 16.691 -5.017 1.00 45.89 O ATOM 239 OE2 GLU A1341 -22.777 14.949 -4.779 1.00 47.64 O ATOM 240 H GLU A1341 -21.232 15.426 -9.603 1.00 0.00 H ATOM 241 N LEU A1342 -22.169 19.492 -9.883 1.00 42.72 N ATOM 242 CA LEU A1342 -21.561 20.644 -10.521 1.00 52.47 C ATOM 243 C LEU A1342 -20.453 21.260 -9.665 1.00 44.33 C ATOM 244 O LEU A1342 -20.584 21.373 -8.444 1.00 50.73 O ATOM 245 CB LEU A1342 -22.649 21.682 -10.817 1.00 60.61 C ATOM 246 CG LEU A1342 -22.815 22.200 -12.245 1.00 49.61 C ATOM 247 CD1 LEU A1342 -22.498 21.097 -13.240 1.00 27.53 C ATOM 248 CD2 LEU A1342 -24.241 22.693 -12.420 1.00 39.33 C ATOM 249 H LEU A1342 -23.152 19.565 -9.550 1.00 0.00 H ATOM 250 N PRO A1343 -19.346 21.650 -10.315 1.00 34.15 N ATOM 251 CA PRO A1343 -18.251 22.405 -9.697 1.00 34.08 C ATOM 252 C PRO A1343 -18.481 23.915 -9.791 1.00 46.73 C ATOM 253 O PRO A1343 -18.843 24.390 -10.875 1.00 53.76 O ATOM 254 CB PRO A1343 -17.025 21.996 -10.525 1.00 26.84 C ATOM 255 CG PRO A1343 -17.571 21.250 -11.752 1.00 25.49 C ATOM 256 CD PRO A1343 -19.059 21.321 -11.721 1.00 25.81 C ATOM 257 N PHE A1344 -18.273 24.653 -8.699 1.00 38.77 N ATOM 258 CA PHE A1344 -18.410 26.110 -8.743 1.00 33.52 C ATOM 259 C PHE A1344 -17.597 26.876 -7.688 1.00 33.57 C ATOM 260 O PHE A1344 -17.340 26.378 -6.594 1.00 42.22 O ATOM 261 CB PHE A1344 -19.888 26.506 -8.613 1.00 34.27 C ATOM 262 CG PHE A1344 -20.592 25.878 -7.440 1.00 30.09 C ATOM 263 CD1 PHE A1344 -20.501 26.443 -6.179 1.00 28.69 C ATOM 264 CD2 PHE A1344 -21.378 24.747 -7.605 1.00 30.21 C ATOM 265 CE1 PHE A1344 -21.154 25.881 -5.099 1.00 30.94 C ATOM 266 CE2 PHE A1344 -22.036 24.180 -6.524 1.00 27.17 C ATOM 267 CZ PHE A1344 -21.925 24.748 -5.273 1.00 29.88 C ATOM 268 H PHE A1344 -18.011 24.188 -7.807 1.00 0.00 H ATOM 269 N GLN A1345 -17.208 28.099 -8.045 1.00 37.17 N ATOM 270 CA GLN A1345 -16.594 29.067 -7.131 1.00 38.05 C ATOM 271 C GLN A1345 -17.617 30.095 -6.635 1.00 27.60 C ATOM 272 O GLN A1345 -18.687 30.242 -7.226 1.00 36.69 O ATOM 273 CB GLN A1345 -15.412 29.766 -7.813 1.00 49.82 C ATOM 274 CG GLN A1345 -14.274 28.835 -8.230 1.00 50.17 C ATOM 275 CD GLN A1345 -13.201 29.546 -9.044 1.00 54.71 C ATOM 276 OE1 GLN A1345 -13.076 30.772 -8.998 1.00 66.60 O ATOM 277 NE2 GLN A1345 -12.408 28.773 -9.778 1.00 44.87 N ATOM 278 HE22 GLN A1345 -12.550 27.743 -9.787 1.00 0.00 H ATOM 279 HE21 GLN A1345 -11.646 29.198 -10.343 1.00 0.00 H ATOM 280 H GLN A1345 -17.349 28.385 -9.035 1.00 0.00 H ATOM 281 N GLU A1346 -17.294 30.807 -5.558 1.00 28.24 N ATOM 282 CA GLU A1346 -18.175 31.869 -5.065 1.00 29.09 C ATOM 283 C GLU A1346 -18.445 32.950 -6.097 1.00 33.51 C ATOM 284 O GLU A1346 -17.523 33.442 -6.752 1.00 35.54 O ATOM 285 CB GLU A1346 -17.598 32.548 -3.822 1.00 29.96 C ATOM 286 CG GLU A1346 -17.020 31.652 -2.752 1.00 29.85 C ATOM 287 CD GLU A1346 -16.574 32.460 -1.554 1.00 49.74 C ATOM 288 OE1 GLU A1346 -16.764 33.695 -1.577 1.00 55.79 O ATOM 289 OE2 GLU A1346 -16.045 31.872 -0.589 1.00 54.47 O ATOM 290 H GLU A1346 -16.404 30.607 -5.059 1.00 0.00 H ATOM 291 N GLY A1347 -19.717 33.308 -6.246 1.00 30.87 N ATOM 292 CA GLY A1347 -20.105 34.362 -7.163 1.00 34.69 C ATOM 293 C GLY A1347 -20.639 33.850 -8.479 1.00 30.28 C ATOM 294 O GLY A1347 -21.249 34.596 -9.242 1.00 37.06 O ATOM 295 H GLY A1347 -20.450 32.821 -5.692 1.00 0.00 H ATOM 296 N ASP A1348 -20.417 32.568 -8.737 1.00 29.30 N ATOM 297 CA ASP A1348 -20.922 31.919 -9.940 1.00 29.04 C ATOM 298 C ASP A1348 -22.452 31.896 -9.938 1.00 48.99 C ATOM 299 O ASP A1348 -23.073 31.657 -8.896 1.00 44.46 O ATOM 300 CB ASP A1348 -20.357 30.498 -10.027 1.00 28.06 C ATOM 301 CG ASP A1348 -18.875 30.479 -10.376 1.00 27.65 C ATOM 302 OD1 ASP A1348 -18.235 31.556 -10.387 1.00 32.06 O ATOM 303 OD2 ASP A1348 -18.332 29.374 -10.575 1.00 27.01 O ATOM 304 H ASP A1348 -19.864 32.007 -8.058 1.00 0.00 H ATOM 305 N THR A1349 -23.064 32.163 -11.092 1.00 48.07 N ATOM 306 CA THR A1349 -24.524 32.132 -11.186 1.00 38.84 C ATOM 307 C THR A1349 -24.982 30.871 -11.906 1.00 45.76 C ATOM 308 O THR A1349 -24.553 30.577 -13.025 1.00 35.65 O ATOM 309 CB THR A1349 -25.103 33.371 -11.911 1.00 32.30 C ATOM 310 OG1 THR A1349 -24.900 33.255 -13.326 1.00 46.01 O ATOM 311 CG2 THR A1349 -24.449 34.643 -11.399 1.00 33.85 C ATOM 312 HG1 THR A1349 -25.356 32.441 -13.658 1.00 0.00 H ATOM 313 H THR A1349 -22.498 32.395 -11.933 1.00 0.00 H ATOM 314 N ILE A1350 -25.882 30.141 -11.265 1.00 53.08 N ATOM 315 CA ILE A1350 -26.292 28.837 -11.755 1.00 47.99 C ATOM 316 C ILE A1350 -27.743 28.840 -12.220 1.00 43.12 C ATOM 317 O ILE A1350 -28.636 29.353 -11.545 1.00 32.42 O ATOM 318 CB ILE A1350 -26.089 27.758 -10.671 1.00 42.72 C ATOM 319 CG1 ILE A1350 -24.641 27.783 -10.174 1.00 28.74 C ATOM 320 CG2 ILE A1350 -26.445 26.382 -11.204 1.00 38.30 C ATOM 321 CD1 ILE A1350 -24.368 26.801 -9.070 1.00 28.13 C ATOM 322 H ILE A1350 -26.305 30.510 -10.390 1.00 0.00 H ATOM 323 N LYS A1351 -27.940 28.281 -13.407 1.00 32.12 N ATOM 324 CA LYS A1351 -29.245 28.103 -14.023 1.00 39.40 C ATOM 325 C LYS A1351 -29.896 26.882 -13.407 1.00 37.07 C ATOM 326 O LYS A1351 -29.519 25.772 -13.738 1.00 32.89 O ATOM 327 CB LYS A1351 -29.069 27.879 -15.533 1.00 52.67 C ATOM 328 CG LYS A1351 -28.788 29.095 -16.418 1.00 47.52 C ATOM 329 CD LYS A1351 -30.041 29.884 -16.732 1.00 48.94 C ATOM 330 CE LYS A1351 -30.581 29.423 -18.085 1.00 60.70 C ATOM 331 NZ LYS A1351 -31.753 30.204 -18.571 1.00 65.99 N ATOM 332 HZ1 LYS A1351 -32.531 30.121 -17.886 1.00 0.00 H ATOM 333 HZ2 LYS A1351 -31.484 31.203 -18.673 1.00 0.00 H ATOM 334 HZ3 LYS A1351 -32.059 29.831 -19.492 1.00 0.00 H ATOM 335 H LYS A1351 -27.106 27.948 -13.932 1.00 0.00 H ATOM 336 N VAL A1352 -30.871 27.066 -12.525 1.00 45.03 N ATOM 337 CA VAL A1352 -31.491 25.917 -11.867 1.00 50.81 C ATOM 338 C VAL A1352 -32.877 25.678 -12.448 1.00 51.96 C ATOM 339 O VAL A1352 -33.668 26.607 -12.595 1.00 56.89 O ATOM 340 CB VAL A1352 -31.575 26.110 -10.331 1.00 60.37 C ATOM 341 CG1 VAL A1352 -32.596 25.164 -9.719 1.00 61.45 C ATOM 342 CG2 VAL A1352 -30.205 25.912 -9.689 1.00 51.68 C ATOM 343 H VAL A1352 -31.194 28.029 -12.302 1.00 0.00 H ATOM 344 N PHE A1353 -33.154 24.424 -12.789 1.00 48.01 N ATOM 345 CA PHE A1353 -34.411 24.049 -13.422 1.00 46.57 C ATOM 346 C PHE A1353 -35.257 23.205 -12.467 1.00 49.57 C ATOM 347 O PHE A1353 -34.749 22.270 -11.849 1.00 51.29 O ATOM 348 CB PHE A1353 -34.139 23.282 -14.717 1.00 42.26 C ATOM 349 CG PHE A1353 -33.204 23.993 -15.670 1.00 38.49 C ATOM 350 CD1 PHE A1353 -33.622 25.109 -16.384 1.00 40.95 C ATOM 351 CD2 PHE A1353 -31.907 23.531 -15.861 1.00 36.22 C ATOM 352 CE1 PHE A1353 -32.758 25.757 -17.267 1.00 39.58 C ATOM 353 CE2 PHE A1353 -31.040 24.172 -16.741 1.00 37.27 C ATOM 354 CZ PHE A1353 -31.467 25.286 -17.445 1.00 39.87 C ATOM 355 H PHE A1353 -32.449 23.684 -12.597 1.00 0.00 H ATOM 356 N GLY A1354 -36.535 23.541 -12.318 1.00 39.34 N ATOM 357 CA GLY A1354 -37.393 22.778 -11.425 1.00 43.59 C ATOM 358 C GLY A1354 -37.209 23.165 -9.968 1.00 44.53 C ATOM 359 O GLY A1354 -36.837 24.297 -9.661 1.00 42.99 O ATOM 360 H GLY A1354 -36.922 24.352 -12.842 1.00 0.00 H ATOM 361 N ASP A1355 -37.440 22.214 -9.067 1.00 38.78 N ATOM 362 CA ASP A1355 -37.339 22.479 -7.639 1.00 38.16 C ATOM 363 C ASP A1355 -36.228 21.661 -7.012 1.00 49.68 C ATOM 364 O ASP A1355 -35.637 20.791 -7.653 1.00 55.89 O ATOM 365 CB ASP A1355 -38.638 22.110 -6.911 1.00 59.14 C ATOM 366 CG ASP A1355 -39.826 22.950 -7.324 1.00 54.38 C ATOM 367 OD1 ASP A1355 -39.699 24.189 -7.405 1.00 57.87 O ATOM 368 OD2 ASP A1355 -40.901 22.355 -7.551 1.00 46.16 O ATOM 369 H ASP A1355 -37.699 21.260 -9.390 1.00 0.00 H ATOM 370 N LYS A1356 -35.959 21.945 -5.743 1.00 47.57 N ATOM 371 CA LYS A1356 -35.018 21.171 -4.947 1.00 47.23 C ATOM 372 C LYS A1356 -35.532 19.739 -4.875 1.00 46.40 C ATOM 373 O LYS A1356 -36.741 19.525 -4.739 1.00 44.49 O ATOM 374 CB LYS A1356 -34.870 21.772 -3.548 1.00 52.28 C ATOM 375 CG LYS A1356 -33.645 21.316 -2.768 1.00 55.66 C ATOM 376 CD LYS A1356 -33.755 21.755 -1.313 1.00 59.14 C ATOM 377 CE LYS A1356 -34.125 23.229 -1.228 1.00 65.70 C ATOM 378 NZ LYS A1356 -33.997 23.784 0.149 1.00 67.38 N ATOM 379 HZ1 LYS A1356 -34.627 23.262 0.792 1.00 0.00 H ATOM 380 HZ2 LYS A1356 -33.013 23.686 0.471 1.00 0.00 H ATOM 381 HZ3 LYS A1356 -34.262 24.790 0.142 1.00 0.00 H ATOM 382 H LYS A1356 -36.440 22.753 -5.300 1.00 0.00 H ATOM 383 N ASP A1357 -34.644 18.758 -4.990 1.00 47.39 N ATOM 384 CA ASP A1357 -35.093 17.375 -4.887 1.00 48.89 C ATOM 385 C ASP A1357 -35.108 16.970 -3.413 1.00 38.74 C ATOM 386 O ASP A1357 -34.733 17.758 -2.547 1.00 35.04 O ATOM 387 CB ASP A1357 -34.198 16.433 -5.690 1.00 52.65 C ATOM 388 CG ASP A1357 -32.835 16.253 -5.065 1.00 43.59 C ATOM 389 OD1 ASP A1357 -32.352 17.183 -4.399 1.00 51.44 O ATOM 390 OD2 ASP A1357 -32.239 15.174 -5.243 1.00 37.70 O ATOM 391 H ASP A1357 -33.640 18.974 -5.152 1.00 0.00 H ATOM 392 N ALA A1358 -35.565 15.756 -3.129 1.00 36.57 N ATOM 393 CA ALA A1358 -35.679 15.266 -1.754 1.00 41.76 C ATOM 394 C ALA A1358 -34.348 15.165 -1.028 1.00 53.56 C ATOM 395 O ALA A1358 -34.300 15.144 0.203 1.00 51.85 O ATOM 396 CB ALA A1358 -36.355 13.926 -1.744 1.00 44.73 C ATOM 397 H ALA A1358 -35.852 15.132 -3.910 1.00 0.00 H ATOM 398 N ASP A1359 -33.273 15.076 -1.800 1.00 54.49 N ATOM 399 CA ASP A1359 -31.940 14.916 -1.244 1.00 43.26 C ATOM 400 C ASP A1359 -31.354 16.267 -0.855 1.00 35.86 C ATOM 401 O ASP A1359 -30.409 16.337 -0.074 1.00 44.17 O ATOM 402 CB ASP A1359 -31.053 14.189 -2.250 1.00 47.83 C ATOM 403 CG ASP A1359 -31.506 12.751 -2.490 1.00 52.43 C ATOM 404 OD1 ASP A1359 -32.243 12.195 -1.647 1.00 46.11 O ATOM 405 OD2 ASP A1359 -31.171 12.194 -3.555 1.00 57.05 O ATOM 406 H ASP A1359 -33.387 15.122 -2.833 1.00 0.00 H ATOM 407 N GLY A1360 -31.910 17.336 -1.413 1.00 32.85 N ATOM 408 CA GLY A1360 -31.487 18.682 -1.070 1.00 38.22 C ATOM 409 C GLY A1360 -30.679 19.330 -2.171 1.00 41.30 C ATOM 410 O GLY A1360 -30.013 20.339 -1.962 1.00 52.14 O ATOM 411 H GLY A1360 -32.668 17.206 -2.113 1.00 0.00 H ATOM 412 N PHE A1361 -30.751 18.746 -3.356 1.00 39.16 N ATOM 413 CA PHE A1361 -29.975 19.205 -4.496 1.00 32.86 C ATOM 414 C PHE A1361 -30.846 19.861 -5.567 1.00 35.35 C ATOM 415 O PHE A1361 -31.982 19.453 -5.787 1.00 34.78 O ATOM 416 CB PHE A1361 -29.213 18.025 -5.084 1.00 36.44 C ATOM 417 CG PHE A1361 -28.061 17.574 -4.238 1.00 42.39 C ATOM 418 CD1 PHE A1361 -28.276 16.809 -3.100 1.00 37.89 C ATOM 419 CD2 PHE A1361 -26.764 17.913 -4.576 1.00 44.26 C ATOM 420 CE1 PHE A1361 -27.213 16.390 -2.319 1.00 36.03 C ATOM 421 CE2 PHE A1361 -25.699 17.496 -3.800 1.00 33.77 C ATOM 422 CZ PHE A1361 -25.924 16.735 -2.671 1.00 32.29 C ATOM 423 H PHE A1361 -31.385 17.930 -3.476 1.00 0.00 H ATOM 424 N TYR A1362 -30.319 20.892 -6.216 1.00 30.95 N ATOM 425 CA TYR A1362 -30.939 21.450 -7.418 1.00 36.05 C ATOM 426 C TYR A1362 -30.406 20.818 -8.717 1.00 31.43 C ATOM 427 O TYR A1362 -29.332 20.225 -8.738 1.00 30.63 O ATOM 428 CB TYR A1362 -30.737 22.965 -7.458 1.00 45.96 C ATOM 429 CG TYR A1362 -31.411 23.696 -6.321 1.00 53.79 C ATOM 430 CD1 TYR A1362 -32.788 23.853 -6.297 1.00 57.02 C ATOM 431 CD2 TYR A1362 -30.675 24.232 -5.274 1.00 48.38 C ATOM 432 CE1 TYR A1362 -33.414 24.519 -5.264 1.00 55.03 C ATOM 433 CE2 TYR A1362 -31.298 24.900 -4.236 1.00 48.56 C ATOM 434 CZ TYR A1362 -32.667 25.037 -4.237 1.00 48.70 C ATOM 435 OH TYR A1362 -33.298 25.700 -3.215 1.00 49.14 O ATOM 436 HH TYR A1362 -34.274 25.702 -3.378 1.00 0.00 H ATOM 437 H TYR A1362 -29.439 21.316 -5.859 1.00 0.00 H ATOM 438 N TRP A1363 -31.177 20.927 -9.793 1.00 57.59 N ATOM 439 CA TRP A1363 -30.698 20.530 -11.120 1.00 53.00 C ATOM 440 C TRP A1363 -30.443 21.745 -11.975 1.00 32.53 C ATOM 441 O TRP A1363 -31.324 22.582 -12.165 1.00 39.97 O ATOM 442 CB TRP A1363 -31.708 19.628 -11.831 1.00 33.85 C ATOM 443 CG TRP A1363 -31.287 19.255 -13.212 1.00 38.67 C ATOM 444 CD1 TRP A1363 -31.780 19.771 -14.380 1.00 42.49 C ATOM 445 CD2 TRP A1363 -30.276 18.316 -13.585 1.00 43.59 C ATOM 446 NE1 TRP A1363 -31.146 19.203 -15.456 1.00 38.40 N ATOM 447 CE2 TRP A1363 -30.217 18.308 -14.998 1.00 43.57 C ATOM 448 CE3 TRP A1363 -29.419 17.480 -12.867 1.00 32.76 C ATOM 449 CZ2 TRP A1363 -29.333 17.492 -15.703 1.00 44.74 C ATOM 450 CZ3 TRP A1363 -28.543 16.671 -13.569 1.00 47.45 C ATOM 451 CH2 TRP A1363 -28.507 16.681 -14.971 1.00 47.39 C ATOM 452 HE1 TRP A1363 -31.339 19.417 -16.455 1.00 0.00 H ATOM 453 H TRP A1363 -32.142 21.302 -9.692 1.00 0.00 H ATOM 454 N GLY A1364 -29.228 21.850 -12.489 1.00 31.69 N ATOM 455 CA GLY A1364 -28.890 23.024 -13.252 1.00 44.71 C ATOM 456 C GLY A1364 -27.703 22.954 -14.181 1.00 45.00 C ATOM 457 O GLY A1364 -27.057 21.921 -14.323 1.00 30.81 O ATOM 458 H GLY A1364 -28.527 21.095 -12.344 1.00 0.00 H ATOM 459 N GLU A1365 -27.401 24.102 -14.776 1.00 40.32 N ATOM 460 CA GLU A1365 -26.368 24.210 -15.784 1.00 31.14 C ATOM 461 C GLU A1365 -25.407 25.345 -15.436 1.00 32.75 C ATOM 462 O GLU A1365 -25.818 26.391 -14.941 1.00 30.65 O ATOM 463 CB GLU A1365 -27.002 24.393 -17.168 1.00 32.53 C ATOM 464 CG GLU A1365 -26.052 24.825 -18.257 1.00 48.04 C ATOM 465 CD GLU A1365 -26.731 24.917 -19.607 1.00 57.19 C ATOM 466 OE1 GLU A1365 -27.915 24.526 -19.711 1.00 63.26 O ATOM 467 OE2 GLU A1365 -26.074 25.369 -20.566 1.00 63.42 O ATOM 468 H GLU A1365 -27.928 24.958 -14.507 1.00 0.00 H ATOM 469 N LEU A1366 -24.122 25.121 -15.681 1.00 35.54 N ATOM 470 CA LEU A1366 -23.103 26.137 -15.453 1.00 30.25 C ATOM 471 C LEU A1366 -21.952 25.854 -16.402 1.00 31.92 C ATOM 472 O LEU A1366 -21.387 24.759 -16.387 1.00 28.38 O ATOM 473 CB LEU A1366 -22.624 26.120 -13.997 1.00 35.94 C ATOM 474 CG LEU A1366 -21.558 27.098 -13.487 1.00 27.76 C ATOM 475 CD1 LEU A1366 -22.020 28.530 -13.580 1.00 28.48 C ATOM 476 CD2 LEU A1366 -21.209 26.769 -12.064 1.00 27.15 C ATOM 477 H LEU A1366 -23.833 24.191 -16.047 1.00 0.00 H ATOM 478 N ARG A1367 -21.610 26.855 -17.212 1.00 38.91 N ATOM 479 CA ARG A1367 -20.573 26.747 -18.237 1.00 42.24 C ATOM 480 C ARG A1367 -20.845 25.596 -19.208 1.00 50.18 C ATOM 481 O ARG A1367 -19.932 24.857 -19.588 1.00 59.58 O ATOM 482 CB ARG A1367 -19.200 26.590 -17.584 1.00 28.32 C ATOM 483 CG ARG A1367 -18.687 27.891 -16.996 1.00 28.18 C ATOM 484 CD ARG A1367 -17.395 27.719 -16.238 1.00 27.39 C ATOM 485 NE ARG A1367 -17.664 27.703 -14.802 1.00 26.96 N ATOM 486 CZ ARG A1367 -17.620 28.767 -14.009 1.00 38.31 C ATOM 487 NH1 ARG A1367 -17.311 29.965 -14.488 1.00 27.65 N ATOM 488 NH2 ARG A1367 -17.895 28.628 -12.725 1.00 55.32 N ATOM 489 HE ARG A1367 -17.908 26.790 -14.369 1.00 0.00 H ATOM 490 HH12 ARG A1367 -17.281 30.787 -13.852 1.00 0.00 H ATOM 491 HH11 ARG A1367 -17.098 30.082 -15.499 1.00 0.00 H ATOM 492 HH22 ARG A1367 -17.864 29.454 -12.094 1.00 0.00 H ATOM 493 HH21 ARG A1367 -18.143 27.692 -12.345 1.00 0.00 H ATOM 494 H ARG A1367 -22.108 27.762 -17.110 1.00 0.00 H ATOM 495 N GLY A1368 -22.103 25.478 -19.626 1.00 30.84 N ATOM 496 CA GLY A1368 -22.518 24.490 -20.608 1.00 31.74 C ATOM 497 C GLY A1368 -22.667 23.063 -20.113 1.00 35.36 C ATOM 498 O GLY A1368 -23.023 22.174 -20.885 1.00 54.52 O ATOM 499 H GLY A1368 -22.820 26.121 -19.233 1.00 0.00 H ATOM 500 N ARG A1369 -22.406 22.849 -18.828 1.00 31.90 N ATOM 501 CA ARG A1369 -22.492 21.526 -18.201 1.00 35.67 C ATOM 502 C ARG A1369 -23.630 21.425 -17.190 1.00 34.12 C ATOM 503 O ARG A1369 -23.869 22.356 -16.426 1.00 35.08 O ATOM 504 CB ARG A1369 -21.173 21.175 -17.495 1.00 34.37 C ATOM 505 CG ARG A1369 -21.131 19.777 -16.882 1.00 28.72 C ATOM 506 CD ARG A1369 -19.923 19.587 -15.964 1.00 34.38 C ATOM 507 NE ARG A1369 -20.059 18.399 -15.119 1.00 32.74 N ATOM 508 CZ ARG A1369 -19.164 17.988 -14.227 1.00 38.02 C ATOM 509 NH1 ARG A1369 -18.045 18.668 -14.039 1.00 39.66 N ATOM 510 NH2 ARG A1369 -19.400 16.893 -13.519 1.00 43.72 N ATOM 511 HE ARG A1369 -20.924 17.832 -15.225 1.00 0.00 H ATOM 512 HH12 ARG A1369 -17.349 18.341 -13.339 1.00 0.00 H ATOM 513 HH11 ARG A1369 -17.861 19.530 -14.591 1.00 0.00 H ATOM 514 HH22 ARG A1369 -18.704 16.566 -12.819 1.00 0.00 H ATOM 515 HH21 ARG A1369 -20.282 16.361 -13.663 1.00 0.00 H ATOM 516 H ARG A1369 -22.127 23.659 -18.238 1.00 0.00 H ATOM 517 N ARG A1370 -24.302 20.277 -17.159 1.00 39.84 N ATOM 518 CA ARG A1370 -25.360 20.041 -16.174 1.00 30.79 C ATOM 519 C ARG A1370 -25.049 18.975 -15.125 1.00 30.19 C ATOM 520 O ARG A1370 -24.383 17.980 -15.396 1.00 30.17 O ATOM 521 CB ARG A1370 -26.656 19.684 -16.888 1.00 39.07 C ATOM 522 CG ARG A1370 -27.149 20.784 -17.796 1.00 42.42 C ATOM 523 CD ARG A1370 -28.292 20.323 -18.656 1.00 49.37 C ATOM 524 NE ARG A1370 -28.636 21.319 -19.662 1.00 51.05 N ATOM 525 CZ ARG A1370 -29.657 21.206 -20.497 1.00 54.46 C ATOM 526 NH1 ARG A1370 -30.434 20.135 -20.445 1.00 51.92 N ATOM 527 NH2 ARG A1370 -29.899 22.169 -21.375 1.00 62.57 N ATOM 528 HE ARG A1370 -28.043 22.171 -19.728 1.00 0.00 H ATOM 529 HH12 ARG A1370 -31.237 20.043 -21.099 1.00 0.00 H ATOM 530 HH11 ARG A1370 -30.241 19.386 -19.750 1.00 0.00 H ATOM 531 HH22 ARG A1370 -30.700 22.084 -22.033 1.00 0.00 H ATOM 532 HH21 ARG A1370 -29.288 23.010 -21.406 1.00 0.00 H ATOM 533 H ARG A1370 -24.071 19.533 -17.848 1.00 0.00 H ATOM 534 N GLY A1371 -25.562 19.199 -13.921 1.00 29.87 N ATOM 535 CA GLY A1371 -25.285 18.351 -12.778 1.00 32.66 C ATOM 536 C GLY A1371 -26.055 18.812 -11.557 1.00 39.56 C ATOM 537 O GLY A1371 -26.909 19.687 -11.649 1.00 44.49 O ATOM 538 H GLY A1371 -26.190 20.018 -13.792 1.00 0.00 H ATOM 539 N TYR A1372 -25.754 18.216 -10.410 1.00 45.19 N ATOM 540 CA TYR A1372 -26.474 18.514 -9.176 1.00 40.16 C ATOM 541 C TYR A1372 -25.756 19.530 -8.293 1.00 30.92 C ATOM 542 O TYR A1372 -24.526 19.615 -8.288 1.00 32.63 O ATOM 543 CB TYR A1372 -26.734 17.216 -8.415 1.00 35.50 C ATOM 544 CG TYR A1372 -27.690 16.317 -9.157 1.00 34.92 C ATOM 545 CD1 TYR A1372 -29.055 16.502 -9.047 1.00 33.94 C ATOM 546 CD2 TYR A1372 -27.229 15.323 -10.010 1.00 34.28 C ATOM 547 CE1 TYR A1372 -29.939 15.706 -9.721 1.00 42.93 C ATOM 548 CE2 TYR A1372 -28.110 14.517 -10.696 1.00 45.40 C ATOM 549 CZ TYR A1372 -29.471 14.718 -10.547 1.00 48.99 C ATOM 550 OH TYR A1372 -30.381 13.936 -11.218 1.00 49.02 O ATOM 551 HH TYR A1372 -31.299 14.227 -10.987 1.00 0.00 H ATOM 552 H TYR A1372 -24.984 17.517 -10.390 1.00 0.00 H ATOM 553 N VAL A1373 -26.547 20.339 -7.595 1.00 30.92 N ATOM 554 CA VAL A1373 -26.025 21.421 -6.776 1.00 33.74 C ATOM 555 C VAL A1373 -26.624 21.382 -5.382 1.00 32.52 C ATOM 556 O VAL A1373 -27.843 21.442 -5.239 1.00 32.83 O ATOM 557 CB VAL A1373 -26.318 22.793 -7.403 1.00 35.30 C ATOM 558 CG1 VAL A1373 -25.841 23.915 -6.489 1.00 48.38 C ATOM 559 CG2 VAL A1373 -25.656 22.896 -8.754 1.00 42.75 C ATOM 560 H VAL A1373 -27.576 20.193 -7.636 1.00 0.00 H ATOM 561 N PRO A1374 -25.772 21.264 -4.351 1.00 33.65 N ATOM 562 CA PRO A1374 -26.271 21.276 -2.969 1.00 33.32 C ATOM 563 C PRO A1374 -26.836 22.641 -2.577 1.00 35.57 C ATOM 564 O PRO A1374 -26.203 23.673 -2.796 1.00 38.36 O ATOM 565 CB PRO A1374 -25.035 20.928 -2.138 1.00 28.28 C ATOM 566 CG PRO A1374 -23.870 21.269 -3.011 1.00 32.83 C ATOM 567 CD PRO A1374 -24.313 21.073 -4.425 1.00 33.31 C ATOM 568 N HIS A1375 -28.023 22.633 -1.985 1.00 38.39 N ATOM 569 CA HIS A1375 -28.759 23.863 -1.750 1.00 40.68 C ATOM 570 C HIS A1375 -28.107 24.732 -0.686 1.00 52.87 C ATOM 571 O HIS A1375 -28.284 25.951 -0.678 1.00 59.62 O ATOM 572 CB HIS A1375 -30.204 23.539 -1.373 1.00 39.49 C ATOM 573 CG HIS A1375 -30.395 23.173 0.064 1.00 49.90 C ATOM 574 ND1 HIS A1375 -30.258 21.885 0.527 1.00 52.31 N ATOM 575 CD2 HIS A1375 -30.750 23.928 1.132 1.00 55.73 C ATOM 576 CE1 HIS A1375 -30.504 21.860 1.823 1.00 51.79 C ATOM 577 NE2 HIS A1375 -30.804 23.078 2.219 1.00 54.20 N ATOM 578 H HIS A1375 -28.435 21.727 -1.683 1.00 0.00 H ATOM 579 N ASN A1376 -27.353 24.102 0.206 1.00 48.25 N ATOM 580 CA ASN A1376 -26.734 24.816 1.308 1.00 36.39 C ATOM 581 C ASN A1376 -25.479 25.559 0.850 1.00 43.02 C ATOM 582 O ASN A1376 -24.737 26.107 1.665 1.00 48.15 O ATOM 583 CB ASN A1376 -26.406 23.858 2.449 1.00 30.98 C ATOM 584 CG ASN A1376 -25.585 22.659 2.001 1.00 48.16 C ATOM 585 OD1 ASN A1376 -25.677 22.201 0.858 1.00 50.44 O ATOM 586 ND2 ASN A1376 -24.764 22.147 2.912 1.00 47.26 N ATOM 587 HD22 ASN A1376 -24.718 22.564 3.864 1.00 0.00 H ATOM 588 HD21 ASN A1376 -24.168 21.329 2.673 1.00 0.00 H ATOM 589 H ASN A1376 -27.203 23.077 0.114 1.00 0.00 H ATOM 590 N MET A1377 -25.251 25.583 -0.459 1.00 40.50 N ATOM 591 CA MET A1377 -24.065 26.221 -1.017 1.00 40.96 C ATOM 592 C MET A1377 -24.452 27.420 -1.874 1.00 44.69 C ATOM 593 O MET A1377 -23.603 28.236 -2.233 1.00 29.22 O ATOM 594 CB MET A1377 -23.273 25.221 -1.867 1.00 28.23 C ATOM 595 CG MET A1377 -22.646 24.052 -1.110 1.00 28.11 C ATOM 596 SD MET A1377 -21.056 24.485 -0.386 1.00 68.14 S ATOM 597 CE MET A1377 -20.464 22.870 0.106 1.00 66.57 C ATOM 598 H MET A1377 -25.936 25.135 -1.101 1.00 0.00 H ATOM 599 N VAL A1378 -25.743 27.523 -2.184 1.00 47.48 N ATOM 600 CA VAL A1378 -26.252 28.539 -3.105 1.00 40.18 C ATOM 601 C VAL A1378 -27.412 29.328 -2.503 1.00 38.72 C ATOM 602 O VAL A1378 -28.059 28.876 -1.555 1.00 35.57 O ATOM 603 CB VAL A1378 -26.716 27.919 -4.442 1.00 35.41 C ATOM 604 CG1 VAL A1378 -25.522 27.426 -5.253 1.00 31.55 C ATOM 605 CG2 VAL A1378 -27.689 26.788 -4.180 1.00 38.47 C ATOM 606 H VAL A1378 -26.415 26.855 -1.755 1.00 0.00 H ATOM 607 N SER A1379 -27.636 30.529 -3.025 1.00 35.08 N ATOM 608 CA SER A1379 -28.794 31.320 -2.634 1.00 33.22 C ATOM 609 C SER A1379 -29.586 31.806 -3.846 1.00 48.80 C ATOM 610 O SER A1379 -29.026 32.368 -4.788 1.00 39.00 O ATOM 611 CB SER A1379 -28.377 32.506 -1.776 1.00 44.46 C ATOM 612 OG SER A1379 -29.465 32.985 -1.004 1.00 47.74 O ATOM 613 HG SER A1379 -29.167 33.754 -0.457 1.00 0.00 H ATOM 614 H SER A1379 -26.971 30.912 -3.727 1.00 0.00 H ATOM 615 N GLU A1380 -30.893 31.563 -3.794 1.00 48.56 N ATOM 616 CA GLU A1380 -31.851 31.979 -4.815 1.00 49.63 C ATOM 617 C GLU A1380 -31.946 33.487 -4.970 1.00 54.50 C ATOM 618 O GLU A1380 -31.986 34.214 -3.978 1.00 65.67 O ATOM 619 CB GLU A1380 -33.236 31.428 -4.473 1.00 50.93 C ATOM 620 CG GLU A1380 -34.297 31.668 -5.530 1.00 54.29 C ATOM 621 CD GLU A1380 -35.664 31.168 -5.095 1.00 56.39 C ATOM 622 OE1 GLU A1380 -35.779 30.672 -3.953 1.00 59.82 O ATOM 623 OE2 GLU A1380 -36.623 31.280 -5.888 1.00 53.56 O ATOM 624 H GLU A1380 -31.257 31.042 -2.971 1.00 0.00 H ATOM 625 N VAL A1381 -31.978 33.961 -6.212 1.00 54.57 N ATOM 626 CA VAL A1381 -32.192 35.383 -6.456 1.00 56.73 C ATOM 627 C VAL A1381 -33.691 35.665 -6.478 1.00 58.31 C ATOM 628 O VAL A1381 -34.131 36.724 -6.927 1.00 59.40 O ATOM 629 CB VAL A1381 -31.571 35.860 -7.782 1.00 55.26 C ATOM 630 CG1 VAL A1381 -30.069 35.610 -7.782 1.00 54.20 C ATOM 631 CG2 VAL A1381 -32.239 35.167 -8.962 1.00 51.72 C ATOM 632 H VAL A1381 -31.849 33.313 -7.015 1.00 0.00 H TER 633 VAL A1381 HETATM 634 O HOH 1 -20.216 8.534 0.823 1.00 33.04 O HETATM 635 O HOH 2 -39.970 26.025 -8.686 1.00 40.60 O HETATM 636 O HOH 3 -30.130 14.477 -5.837 1.00 22.20 O HETATM 637 O HOH 4 -21.839 16.468 -13.561 1.00 44.49 O HETATM 638 O HOH 5 -13.739 12.052 -3.922 1.00 49.57 O HETATM 639 O HOH 6 -38.097 25.393 -13.130 1.00 23.53 O HETATM 640 O HOH 7 -18.224 25.531 -13.107 1.00 6.21 O HETATM 641 O HOH 8 -12.235 32.647 -10.655 1.00 30.39 O HETATM 642 O HOH 9 -14.814 32.690 -9.985 1.00 34.56 O HETATM 643 O HOH 10 -30.865 10.068 -5.684 1.00 24.25 O HETATM 644 O HOH 11 -19.483 23.224 -14.594 1.00 34.87 O HETATM 645 O HOH 12 -32.203 17.658 -8.307 1.00 22.97 O HETATM 646 O HOH 13 -13.839 32.211 -6.069 1.00 6.63 O HETATM 647 O HOH 14 -38.419 19.220 -9.867 1.00 25.03 O HETATM 648 O HOH 15 -10.599 17.812 1.474 1.00 52.37 O HETATM 649 O HOH 16 -25.491 20.301 -21.924 1.00 19.95 O HETATM 650 O HOH 17 -18.756 21.718 3.118 1.00 23.44 O HETATM 651 O HOH 18 -25.567 8.901 -3.465 1.00 44.05 O HETATM 652 O HOH 19 -29.460 7.783 -4.166 1.00 55.03 O HETATM 653 N GLY A 20 -30.429 8.714 0.532 1.00 0.24 N HETATM 654 CA GLY A 20 -29.973 8.544 -0.835 1.00 0.05 C HETATM 655 C GLY A 20 -28.745 9.381 -1.124 1.00 0.22 C HETATM 656 O GLY A 20 -27.652 9.069 -0.655 1.00 -0.39 O HETATM 657 N GLY A 20 -28.917 10.440 -1.907 1.00 -0.26 N HETATM 658 CA GLY A 20 -27.791 11.287 -2.271 1.00 0.13 C HETATM 659 C GLY A 20 -27.507 12.179 -1.083 1.00 0.20 C HETATM 660 O GLY A 20 -28.429 12.749 -0.503 1.00 -0.39 O HETATM 661 N GLY A 20 -26.241 12.319 -0.718 1.00 -0.26 N HETATM 662 CA GLY A 20 -25.919 13.065 0.488 1.00 0.13 C HETATM 663 C GLY A 20 -25.388 14.470 0.239 1.00 0.20 C HETATM 664 O GLY A 20 -24.678 14.727 -0.732 1.00 -0.39 O HETATM 665 N GLY A 20 -25.760 15.371 1.142 1.00 -0.26 N HETATM 666 CA GLY A 20 -25.334 16.763 1.101 1.00 0.13 C HETATM 667 C GLY A 20 -23.949 16.920 1.715 1.00 0.21 C HETATM 668 O GLY A 20 -23.592 16.190 2.645 1.00 -0.39 O HETATM 669 N GLY A 20 -23.141 17.842 1.171 1.00 -0.25 N HETATM 670 CA GLY A 20 -21.887 18.157 1.853 1.00 0.13 C HETATM 671 C GLY A 20 -22.223 19.005 3.074 1.00 0.21 C HETATM 672 O GLY A 20 -23.306 19.589 3.119 1.00 -0.39 O HETATM 673 N GLY A 20 -21.327 19.058 4.065 1.00 -0.25 N HETATM 674 CA GLY A 20 -21.545 19.914 5.238 1.00 0.13 C HETATM 675 C GLY A 20 -21.615 21.408 4.896 1.00 0.20 C HETATM 676 O GLY A 20 -20.907 21.861 3.989 1.00 -0.39 O HETATM 677 N GLY A 20 -22.475 22.152 5.593 1.00 -0.26 N HETATM 678 CA GLY A 20 -22.495 23.608 5.474 1.00 0.16 C HETATM 679 C GLY A 20 -21.334 24.140 6.321 1.00 0.21 C HETATM 680 O GLY A 20 -21.229 23.811 7.505 1.00 -0.39 O HETATM 681 N GLY A 20 -20.452 24.956 5.714 1.00 -0.25 N HETATM 682 CA GLY A 20 -19.151 25.314 6.307 1.00 0.13 C HETATM 683 C GLY A 20 -19.145 26.273 7.507 1.00 0.20 C HETATM 684 O GLY A 20 -19.947 26.150 8.433 1.00 -0.39 O HETATM 685 N GLY A 20 -18.203 27.216 7.472 1.00 -0.26 N HETATM 686 CA GLY A 20 -18.000 28.196 8.540 1.00 0.15 C HETATM 687 C GLY A 20 -18.765 29.523 8.457 1.00 0.21 C HETATM 688 O GLY A 20 -19.658 29.778 9.268 1.00 -0.39 O HETATM 689 N GLY A 20 -18.443 30.343 7.457 1.00 -0.26 N HETATM 690 CA GLY A 20 -18.980 31.702 7.373 1.00 0.13 C HETATM 691 C GLY A 20 -19.028 32.217 5.926 1.00 0.21 C HETATM 692 O GLY A 20 -18.164 31.886 5.117 1.00 -0.39 O HETATM 693 N GLY A 20 -20.064 33.018 5.603 1.00 -0.25 N HETATM 694 CA GLY A 20 -20.545 33.306 4.249 1.00 0.13 C HETATM 695 C GLY A 20 -19.540 33.707 3.176 1.00 0.20 C HETATM 696 O GLY A 20 -19.508 33.040 2.143 1.00 -0.39 O HETATM 697 N GLY A 20 -18.753 34.755 3.403 1.00 -0.27 N HETATM 698 CA GLY A 20 -17.902 35.309 2.350 1.00 0.12 C HETATM 699 C GLY A 20 -16.424 35.292 2.727 1.00 0.06 C HETATM 700 O GLY A 20 -15.565 35.102 1.869 1.00 -0.57 O HETATM 701 OXT GLY A 20 -16.077 35.468 3.893 1.00 -0.57 O HETATM 702 CB GLY A 20 -18.330 36.741 2.014 1.00 0.08 C HETATM 703 OG GLY A 20 -17.828 37.147 0.750 1.00 -0.39 O HETATM 704 H100 GLY A 20 -18.109 38.036 0.570 1.00 0.21 H HETATM 705 H98 GLY A 20 -17.944 37.421 2.788 1.00 0.06 H HETATM 706 H99 GLY A 20 -19.429 36.792 1.996 1.00 0.06 H HETATM 707 H97 GLY A 20 -18.031 34.688 1.451 1.00 0.07 H HETATM 708 H96 GLY A 20 -18.743 35.172 4.312 1.00 0.19 H HETATM 709 CB GLY A 20 -21.482 34.496 4.489 1.00 -0.01 C HETATM 710 CG GLY A 20 -21.955 34.339 5.935 1.00 -0.03 C HETATM 711 CD GLY A 20 -21.187 33.181 6.541 1.00 0.04 C HETATM 712 H94 GLY A 20 -20.828 33.427 7.551 1.00 0.05 H HETATM 713 H95 GLY A 20 -21.805 32.272 6.582 1.00 0.05 H HETATM 714 H92 GLY A 20 -23.034 34.127 5.957 1.00 0.03 H HETATM 715 H93 GLY A 20 -21.752 35.261 6.499 1.00 0.03 H HETATM 716 H90 GLY A 20 -22.336 34.462 3.797 1.00 0.03 H HETATM 717 H91 GLY A 20 -20.942 35.446 4.359 1.00 0.03 H HETATM 718 H89 GLY A 20 -21.101 32.433 3.877 1.00 0.08 H HETATM 719 CB GLY A 20 -18.136 32.631 8.266 1.00 -0.01 C HETATM 720 CG GLY A 20 -18.116 34.102 7.888 1.00 -0.04 C HETATM 721 CD GLY A 20 -17.430 34.936 8.969 1.00 -0.01 C HETATM 722 CE GLY A 20 -17.634 36.426 8.725 1.00 -0.04 C HETATM 723 NZ GLY A 20 -17.521 37.242 9.962 1.00 0.22 N HETATM 724 H86 GLY A 20 -17.665 38.214 9.738 1.00 0.20 H HETATM 725 H87 GLY A 20 -16.603 37.122 10.361 1.00 0.20 H HETATM 726 H88 GLY A 20 -18.218 36.944 10.626 1.00 0.20 H HETATM 727 H84 GLY A 20 -18.636 36.576 8.297 1.00 0.08 H HETATM 728 H85 GLY A 20 -16.874 36.770 8.008 1.00 0.08 H HETATM 729 H82 GLY A 20 -16.352 34.715 8.963 1.00 0.03 H HETATM 730 H83 GLY A 20 -17.853 34.671 9.949 1.00 0.03 H HETATM 731 H80 GLY A 20 -19.150 34.455 7.763 1.00 0.03 H HETATM 732 H81 GLY A 20 -17.570 34.222 6.941 1.00 0.03 H HETATM 733 H78 GLY A 20 -17.099 32.266 8.242 1.00 0.03 H HETATM 734 H79 GLY A 20 -18.527 32.555 9.291 1.00 0.03 H HETATM 735 H77 GLY A 20 -20.010 31.689 7.760 1.00 0.08 H HETATM 736 H76 GLY A 20 -17.818 30.021 6.745 1.00 0.19 H HETATM 737 CB GLY A 20 -16.512 28.525 8.622 1.00 0.08 C HETATM 738 OG GLY A 20 -16.163 29.483 7.638 1.00 -0.39 O HETATM 739 H75 GLY A 20 -15.235 29.677 7.702 1.00 0.21 H HETATM 740 H73 GLY A 20 -15.928 27.607 8.457 1.00 0.06 H HETATM 741 H74 GLY A 20 -16.285 28.930 9.619 1.00 0.06 H HETATM 742 H72 GLY A 20 -18.307 27.709 9.477 1.00 0.08 H HETATM 743 H71 GLY A 20 -17.603 27.256 6.673 1.00 0.19 H HETATM 744 CB GLY A 20 -18.401 25.973 5.135 1.00 -0.01 C HETATM 745 CG GLY A 20 -19.159 25.604 3.909 1.00 -0.03 C HETATM 746 CD GLY A 20 -20.578 25.455 4.335 1.00 0.04 C HETATM 747 H69 GLY A 20 -21.103 26.421 4.309 1.00 0.05 H HETATM 748 H70 GLY A 20 -21.109 24.732 3.699 1.00 0.05 H HETATM 749 H67 GLY A 20 -18.782 24.656 3.497 1.00 0.03 H HETATM 750 H68 GLY A 20 -19.069 26.396 3.151 1.00 0.03 H HETATM 751 H65 GLY A 20 -17.371 25.592 5.077 1.00 0.03 H HETATM 752 H66 GLY A 20 -18.382 27.066 5.259 1.00 0.03 H HETATM 753 H64 GLY A 20 -18.642 24.390 6.619 1.00 0.08 H HETATM 754 CB GLY A 20 -23.841 24.216 5.929 1.00 0.09 C HETATM 755 OG1 GLY A 20 -24.927 23.440 5.403 1.00 -0.39 O HETATM 756 H60 GLY A 20 -25.751 23.818 5.686 1.00 0.21 H HETATM 757 CG2 GLY A 20 -23.971 25.656 5.439 1.00 -0.03 C HETATM 758 H61 GLY A 20 -24.934 26.071 5.772 1.00 0.03 H HETATM 759 H62 GLY A 20 -23.924 25.675 4.340 1.00 0.03 H HETATM 760 H63 GLY A 20 -23.149 26.259 5.852 1.00 0.03 H HETATM 761 H59 GLY A 20 -23.886 24.204 7.028 1.00 0.06 H HETATM 762 H58 GLY A 20 -22.332 23.884 4.422 1.00 0.08 H HETATM 763 H57 GLY A 20 -23.121 21.703 6.211 1.00 0.19 H HETATM 764 CB GLY A 20 -20.327 19.615 6.124 1.00 -0.01 C HETATM 765 CG GLY A 20 -19.295 19.065 5.192 1.00 -0.03 C HETATM 766 CD GLY A 20 -20.063 18.306 4.154 1.00 0.04 C HETATM 767 H55 GLY A 20 -19.533 18.307 3.190 1.00 0.05 H HETATM 768 H56 GLY A 20 -20.241 17.269 4.473 1.00 0.05 H HETATM 769 H53 GLY A 20 -18.608 18.395 5.730 1.00 0.03 H HETATM 770 H54 GLY A 20 -18.722 19.881 4.727 1.00 0.03 H HETATM 771 H51 GLY A 20 -20.583 18.875 6.897 1.00 0.03 H HETATM 772 H52 GLY A 20 -19.963 20.535 6.604 1.00 0.03 H HETATM 773 H50 GLY A 20 -22.476 19.626 5.748 1.00 0.08 H HETATM 774 CB GLY A 20 -21.106 18.950 0.808 1.00 -0.01 C HETATM 775 CG GLY A 20 -22.184 19.619 0.003 1.00 -0.03 C HETATM 776 CD GLY A 20 -23.293 18.603 -0.081 1.00 0.04 C HETATM 777 H48 GLY A 20 -24.276 19.094 -0.128 1.00 0.05 H HETATM 778 H49 GLY A 20 -23.166 17.951 -0.958 1.00 0.05 H HETATM 779 H46 GLY A 20 -21.815 19.873 -1.002 1.00 0.03 H HETATM 780 H47 GLY A 20 -22.533 20.532 0.507 1.00 0.03 H HETATM 781 H44 GLY A 20 -20.501 18.282 0.178 1.00 0.03 H HETATM 782 H45 GLY A 20 -20.452 19.694 1.286 1.00 0.03 H HETATM 783 H43 GLY A 20 -21.341 17.251 2.155 1.00 0.08 H HETATM 784 CB GLY A 20 -26.330 17.653 1.854 1.00 -0.01 C HETATM 785 CG GLY A 20 -27.641 18.111 1.207 1.00 -0.04 C HETATM 786 CD1 GLY A 20 -28.513 18.820 2.219 1.00 -0.06 C HETATM 787 H37 GLY A 20 -29.448 19.141 1.736 1.00 0.02 H HETATM 788 H38 GLY A 20 -27.981 19.700 2.609 1.00 0.02 H HETATM 789 H39 GLY A 20 -28.744 18.135 3.048 1.00 0.02 H HETATM 790 CD2 GLY A 20 -27.361 19.051 0.045 1.00 -0.06 C HETATM 791 H40 GLY A 20 -26.727 18.541 -0.695 1.00 0.02 H HETATM 792 H41 GLY A 20 -26.843 19.948 0.415 1.00 0.02 H HETATM 793 H42 GLY A 20 -28.311 19.344 -0.426 1.00 0.02 H HETATM 794 H36 GLY A 20 -28.176 17.227 0.831 1.00 0.03 H HETATM 795 H34 GLY A 20 -25.783 18.567 2.129 1.00 0.03 H HETATM 796 H35 GLY A 20 -26.609 17.105 2.766 1.00 0.03 H HETATM 797 H33 GLY A 20 -25.294 17.086 0.050 1.00 0.08 H HETATM 798 H32 GLY A 20 -26.361 15.079 1.886 1.00 0.19 H HETATM 799 CB GLY A 20 -24.934 12.271 1.346 1.00 -0.01 C HETATM 800 CG GLY A 20 -25.495 10.917 1.769 1.00 -0.02 C HETATM 801 CD GLY A 20 -26.765 11.138 2.590 1.00 0.06 C HETATM 802 NE GLY A 20 -27.380 9.905 3.079 1.00 -0.27 N HETATM 803 CZ GLY A 20 -28.604 9.837 3.595 1.00 0.29 C HETATM 804 NH1 GLY A 20 -29.349 10.931 3.673 1.00 -0.28 N HETATM 805 H28 GLY A 20 -30.297 10.881 4.072 1.00 0.26 H HETATM 806 H29 GLY A 20 -28.980 11.831 3.334 1.00 0.26 H HETATM 807 NH2 GLY A 20 -29.085 8.675 4.020 1.00 -0.28 N HETATM 808 H30 GLY A 20 -28.506 7.825 3.959 1.00 0.26 H HETATM 809 H31 GLY A 20 -30.037 8.623 4.410 1.00 0.26 H HETATM 810 H27 GLY A 20 -26.831 9.035 3.020 1.00 0.26 H HETATM 811 H25 GLY A 20 -27.497 11.663 1.959 1.00 0.07 H HETATM 812 H26 GLY A 20 -26.511 11.765 3.457 1.00 0.07 H HETATM 813 H23 GLY A 20 -24.750 10.383 2.378 1.00 0.03 H HETATM 814 H24 GLY A 20 -25.733 10.321 0.875 1.00 0.03 H HETATM 815 H21 GLY A 20 -24.701 12.855 2.249 1.00 0.03 H HETATM 816 H22 GLY A 20 -24.013 12.107 0.767 1.00 0.03 H HETATM 817 H20 GLY A 20 -26.853 13.172 1.059 1.00 0.08 H HETATM 818 H19 GLY A 20 -25.511 11.914 -1.269 1.00 0.19 H HETATM 819 CB GLY A 20 -28.108 12.126 -3.505 1.00 -0.01 C HETATM 820 CG GLY A 20 -26.911 12.760 -4.169 1.00 -0.02 C HETATM 821 CD GLY A 20 -27.322 13.341 -5.509 1.00 0.06 C HETATM 822 NE GLY A 20 -26.179 13.785 -6.295 1.00 -0.27 N HETATM 823 CZ GLY A 20 -25.493 12.998 -7.114 1.00 0.29 C HETATM 824 NH1 GLY A 20 -25.845 11.729 -7.276 1.00 -0.28 N HETATM 825 H15 GLY A 20 -25.308 11.123 -7.913 1.00 0.26 H HETATM 826 H16 GLY A 20 -26.655 11.350 -6.765 1.00 0.26 H HETATM 827 NH2 GLY A 20 -24.465 13.489 -7.783 1.00 -0.28 N HETATM 828 H17 GLY A 20 -24.192 14.474 -7.657 1.00 0.26 H HETATM 829 H18 GLY A 20 -23.937 12.887 -8.430 1.00 0.26 H HETATM 830 H14 GLY A 20 -25.886 14.769 -6.210 1.00 0.26 H HETATM 831 H12 GLY A 20 -27.985 14.201 -5.333 1.00 0.07 H HETATM 832 H13 GLY A 20 -27.864 12.570 -6.077 1.00 0.07 H HETATM 833 H10 GLY A 20 -26.132 11.999 -4.323 1.00 0.03 H HETATM 834 H11 GLY A 20 -26.518 13.562 -3.527 1.00 0.03 H HETATM 835 H8 GLY A 20 -28.797 12.929 -3.204 1.00 0.03 H HETATM 836 H9 GLY A 20 -28.603 11.476 -4.242 1.00 0.03 H HETATM 837 H7 GLY A 20 -26.912 10.660 -2.483 1.00 0.08 H HETATM 838 H6 GLY A 20 -29.831 10.658 -2.250 1.00 0.19 H HETATM 839 H4 GLY A 20 -30.779 8.846 -1.520 1.00 0.11 H HETATM 840 H5 GLY A 20 -29.729 7.484 -1.000 1.00 0.11 H HETATM 841 H1 GLY A 20 -31.245 8.143 0.687 1.00 0.20 H HETATM 842 H2 GLY A 20 -30.660 9.682 0.691 1.00 0.20 H HETATM 843 H3 GLY A 20 -29.698 8.434 1.167 1.00 0.20 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 653 654 841 842 843 CONECT 654 653 655 839 840 CONECT 655 654 656 657 CONECT 656 655 CONECT 657 655 658 838 CONECT 658 657 659 819 837 CONECT 659 658 660 661 CONECT 660 659 CONECT 661 659 662 818 CONECT 662 661 663 799 817 CONECT 663 662 664 665 CONECT 664 663 CONECT 665 663 666 798 CONECT 666 665 667 784 797 CONECT 667 666 668 669 CONECT 668 667 CONECT 669 667 670 776 CONECT 670 669 671 774 783 CONECT 671 670 672 673 CONECT 672 671 CONECT 673 671 674 766 CONECT 674 673 675 764 773 CONECT 675 674 676 677 CONECT 676 675 CONECT 677 675 678 763 CONECT 678 677 679 754 762 CONECT 679 678 680 681 CONECT 680 679 CONECT 681 679 682 746 CONECT 682 681 683 744 753 CONECT 683 682 684 685 CONECT 684 683 CONECT 685 683 686 743 CONECT 686 685 687 737 742 CONECT 687 686 688 689 CONECT 688 687 CONECT 689 687 690 736 CONECT 690 689 691 719 735 CONECT 691 690 692 693 CONECT 692 691 CONECT 693 691 694 711 CONECT 694 693 695 709 718 CONECT 695 694 696 697 CONECT 696 695 CONECT 697 695 698 708 CONECT 698 697 699 702 707 CONECT 699 698 700 701 CONECT 700 699 CONECT 701 699 CONECT 702 698 703 705 706 CONECT 703 702 704 CONECT 704 703 CONECT 705 702 CONECT 706 702 CONECT 707 698 CONECT 708 697 CONECT 709 694 710 716 717 CONECT 710 709 711 714 715 CONECT 711 693 710 712 713 CONECT 712 711 CONECT 713 711 CONECT 714 710 CONECT 715 710 CONECT 716 709 CONECT 717 709 CONECT 718 694 CONECT 719 690 720 733 734 CONECT 720 719 721 731 732 CONECT 721 720 722 729 730 CONECT 722 721 723 727 728 CONECT 723 722 724 725 726 CONECT 724 723 CONECT 725 723 CONECT 726 723 CONECT 727 722 CONECT 728 722 CONECT 729 721 CONECT 730 721 CONECT 731 720 CONECT 732 720 CONECT 733 719 CONECT 734 719 CONECT 735 690 CONECT 736 689 CONECT 737 686 738 740 741 CONECT 738 737 739 CONECT 739 738 CONECT 740 737 CONECT 741 737 CONECT 742 686 CONECT 743 685 CONECT 744 682 745 751 752 CONECT 745 744 746 749 750 CONECT 746 681 745 747 748 CONECT 747 746 CONECT 748 746 CONECT 749 745 CONECT 750 745 CONECT 751 744 CONECT 752 744 CONECT 753 682 CONECT 754 678 755 757 761 CONECT 755 754 756 CONECT 756 755 CONECT 757 754 758 759 760 CONECT 758 757 CONECT 759 757 CONECT 760 757 CONECT 761 754 CONECT 762 678 CONECT 763 677 CONECT 764 674 765 771 772 CONECT 765 764 766 769 770 CONECT 766 673 765 767 768 CONECT 767 766 CONECT 768 766 CONECT 769 765 CONECT 770 765 CONECT 771 764 CONECT 772 764 CONECT 773 674 CONECT 774 670 775 781 782 CONECT 775 774 776 779 780 CONECT 776 669 775 777 778 CONECT 777 776 CONECT 778 776 CONECT 779 775 CONECT 780 775 CONECT 781 774 CONECT 782 774 CONECT 783 670 CONECT 784 666 785 795 796 CONECT 785 784 786 790 794 CONECT 786 785 787 788 789 CONECT 787 786 CONECT 788 786 CONECT 789 786 CONECT 790 785 791 792 793 CONECT 791 790 CONECT 792 790 CONECT 793 790 CONECT 794 785 CONECT 795 784 CONECT 796 784 CONECT 797 666 CONECT 798 665 CONECT 799 662 800 815 816 CONECT 800 799 801 813 814 CONECT 801 800 802 811 812 CONECT 802 801 803 810 CONECT 803 802 804 807 CONECT 804 803 805 806 CONECT 805 804 CONECT 806 804 CONECT 807 803 808 809 CONECT 808 807 CONECT 809 807 CONECT 810 802 CONECT 811 801 CONECT 812 801 CONECT 813 800 CONECT 814 800 CONECT 815 799 CONECT 816 799 CONECT 817 662 CONECT 818 661 CONECT 819 658 820 835 836 CONECT 820 819 821 833 834 CONECT 821 820 822 831 832 CONECT 822 821 823 830 CONECT 823 822 824 827 CONECT 824 823 825 826 CONECT 825 824 CONECT 826 824 CONECT 827 823 828 829 CONECT 828 827 CONECT 829 827 CONECT 830 822 CONECT 831 821 CONECT 832 821 CONECT 833 820 CONECT 834 820 CONECT 835 819 CONECT 836 819 CONECT 837 658 CONECT 838 657 CONECT 839 654 CONECT 840 654 CONECT 841 653 CONECT 842 653 CONECT 843 653 MASTER 0 0 0 0 0 0 0 0 842 1 195 5 END
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Entry Information
PDB ID
4z89
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SH3-II of Drosophila Rim-binding protein
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
2.64(Å)
Affinity (Kd/Ki/IC50)
Kd=20.2uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Elife Vol. 4: pp.1-30
Ligand Properties
Formula
C
5
6
H
1
0
1
N
1
9
O
1
6
Molecular Weight
1296.520
Exact Mass
1295.770
No. of atoms
192
No. of bonds
195
Polar Surface Area
570.23
LOGP Value
-3.91 (
Computed with XLOGP3
)
-7.95 (
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)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 35
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[NH3+])CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)CC(C)C)CO
InChI String
InChI=1S/C56H97N19O16/c1-30(2)26-35(68-45(81)33(14-7-21-64-56(61)62)66-44(80)32(65-42(79)27-58)13-6-20-63-55(59)60)51(87)75-25-11-18-41(75)52(88)73-23-9-17-40(73)49(85)71-43(31(3)78)53(89)74-24-10-16-39(74)47(83)69-36(28-76)46(82)67-34(12-4-5-19-57)50(86)72-22-8-15-38(72)48(84)70-37(29-77)54(90)91/h30-41,43,76-78H,4-29,57-58H2,1-3H3,(H,65,79)(H,66,80)(H,67,82)(H,68,81)(H,69,83)(H,70,84)(H,71,85)(H,90,91)(H4,59,60,63)(H4,61,62,64)/p+4/t31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,43+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P91645
A0A0B4JDC9
Entrez Gene ID
NCBI Entrez Gene ID:
32158
41880
ASD
Information of known allosteric effects of PDB entries
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