Browse entries in the PDBbind-CN Database
HEADER 4Z8A_COMPLEX COMPND 4Z8A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 75 GLY PRO LEU GLY SER PRO GLU PHE ASN ARG PRO VAL LYS SEQRES 2 A 75 ARG MET ILE ALA LEU TYR ASP TYR ASP PRO GLN GLU LEU SEQRES 3 A 75 SER PRO ASN VAL ASP ALA GLU GLN VAL GLU LEU CYS PHE SEQRES 4 A 75 LYS THR GLY GLU ILE ILE LEU VAL TYR GLY ASP MET ASP SEQRES 5 A 75 GLU ASP GLY PHE TYR MET GLY GLU LEU ASP GLY VAL ARG SEQRES 6 A 75 GLY LEU VAL PRO SER ASN PHE LEU ALA ASP HET ACE A 186 249 ATOM 1 N GLY A1433 0.323 4.746 45.468 1.00 17.01 N ATOM 2 CA GLY A1433 1.200 5.599 46.253 1.00 14.56 C ATOM 3 C GLY A1433 2.429 4.829 46.715 1.00 14.98 C ATOM 4 O GLY A1433 2.632 3.688 46.319 1.00 16.11 O ATOM 5 HN3 GLY A1433 0.016 3.939 46.048 1.00 0.00 H ATOM 6 HN2 GLY A1433 0.836 4.399 44.633 1.00 0.00 H ATOM 7 HN1 GLY A1433 -0.508 5.292 45.164 1.00 0.00 H ATOM 8 N PRO A1434 3.251 5.443 47.572 1.00 12.96 N ATOM 9 CA PRO A1434 4.484 4.776 48.014 1.00 10.69 C ATOM 10 C PRO A1434 4.238 3.521 48.875 1.00 14.92 C ATOM 11 O PRO A1434 5.040 2.591 48.818 1.00 15.45 O ATOM 12 CB PRO A1434 5.220 5.869 48.820 1.00 12.19 C ATOM 13 CG PRO A1434 4.207 6.932 49.093 1.00 18.02 C ATOM 14 CD PRO A1434 3.162 6.850 48.014 1.00 15.09 C ATOM 15 N LEU A1435 3.142 3.477 49.627 1.00 13.23 N ATOM 16 CA LEU A1435 2.871 2.333 50.495 1.00 13.81 C ATOM 17 C LEU A1435 2.369 1.113 49.721 1.00 15.71 C ATOM 18 O LEU A1435 1.467 1.218 48.880 1.00 13.11 O ATOM 19 CB LEU A1435 1.846 2.718 51.580 1.00 12.84 C ATOM 20 CG LEU A1435 1.450 1.661 52.611 1.00 15.39 C ATOM 21 CD1 LEU A1435 2.633 1.241 53.491 1.00 13.04 C ATOM 22 CD2 LEU A1435 0.282 2.175 53.469 1.00 12.14 C ATOM 23 H LEU A1435 2.468 4.268 49.597 1.00 0.00 H ATOM 24 N GLY A1436 2.951 -0.048 50.012 1.00 10.93 N ATOM 25 CA GLY A1436 2.399 -1.308 49.517 1.00 14.95 C ATOM 26 C GLY A1436 3.433 -2.106 48.755 1.00 11.69 C ATOM 27 O GLY A1436 4.582 -1.703 48.687 1.00 13.71 O ATOM 28 H GLY A1436 3.809 -0.059 50.599 1.00 0.00 H ATOM 29 N SER A1437 3.029 -3.223 48.156 1.00 12.41 N ATOM 30 CA SER A1437 3.973 -4.038 47.392 1.00 9.91 C ATOM 31 C SER A1437 4.208 -3.533 45.968 1.00 13.01 C ATOM 32 O SER A1437 3.320 -2.972 45.339 1.00 17.24 O ATOM 33 CB SER A1437 3.492 -5.508 47.344 1.00 12.97 C ATOM 34 OG SER A1437 2.189 -5.612 46.791 1.00 17.12 O ATOM 35 HG SER A1437 1.913 -6.563 46.775 1.00 0.00 H ATOM 36 H SER A1437 2.035 -3.519 48.232 1.00 0.00 H ATOM 37 N PRO A1438 5.427 -3.751 45.445 1.00 15.19 N ATOM 38 CA PRO A1438 5.704 -3.385 44.056 1.00 19.72 C ATOM 39 C PRO A1438 4.730 -4.047 43.091 1.00 22.74 C ATOM 40 O PRO A1438 4.314 -5.183 43.321 1.00 21.76 O ATOM 41 CB PRO A1438 7.127 -3.901 43.829 1.00 21.11 C ATOM 42 CG PRO A1438 7.748 -3.936 45.197 1.00 23.26 C ATOM 43 CD PRO A1438 6.619 -4.245 46.153 1.00 17.70 C ATOM 44 N GLU A1439 4.364 -3.321 42.042 1.00 26.97 N ATOM 45 CA GLU A1439 3.464 -3.814 41.004 1.00 38.28 C ATOM 46 C GLU A1439 4.269 -4.289 39.808 1.00 33.71 C ATOM 47 O GLU A1439 5.411 -3.876 39.623 1.00 36.69 O ATOM 48 CB GLU A1439 2.481 -2.721 40.561 1.00 38.96 C ATOM 49 CG GLU A1439 3.169 -1.450 40.023 1.00 63.29 C ATOM 50 CD GLU A1439 2.228 -0.513 39.252 1.00 74.35 C ATOM 51 OE1 GLU A1439 1.565 -0.979 38.298 1.00 76.16 O ATOM 52 OE2 GLU A1439 2.164 0.692 39.592 1.00 72.40 O ATOM 53 H GLU A1439 4.737 -2.354 41.955 1.00 0.00 H ATOM 54 N PHE A1440 3.670 -5.149 38.994 1.00 34.79 N ATOM 55 CA PHE A1440 4.294 -5.564 37.743 1.00 37.84 C ATOM 56 C PHE A1440 4.583 -4.342 36.886 1.00 32.19 C ATOM 57 O PHE A1440 3.711 -3.503 36.679 1.00 33.94 O ATOM 58 CB PHE A1440 3.395 -6.539 36.982 1.00 40.81 C ATOM 59 CG PHE A1440 3.958 -6.964 35.652 1.00 49.14 C ATOM 60 CD1 PHE A1440 5.237 -7.492 35.565 1.00 45.56 C ATOM 61 CD2 PHE A1440 3.210 -6.833 34.490 1.00 45.16 C ATOM 62 CE1 PHE A1440 5.762 -7.884 34.344 1.00 49.54 C ATOM 63 CE2 PHE A1440 3.725 -7.219 33.265 1.00 43.30 C ATOM 64 CZ PHE A1440 5.002 -7.749 33.191 1.00 41.57 C ATOM 65 H PHE A1440 2.739 -5.534 39.253 1.00 0.00 H ATOM 66 N ASN A1441 5.811 -4.272 36.394 1.00 35.34 N ATOM 67 CA ASN A1441 6.242 -3.178 35.552 1.00 33.32 C ATOM 68 C ASN A1441 7.151 -3.694 34.443 1.00 36.99 C ATOM 69 O ASN A1441 8.134 -4.395 34.701 1.00 39.04 O ATOM 70 CB ASN A1441 6.954 -2.120 36.390 1.00 36.00 C ATOM 71 CG ASN A1441 8.208 -2.652 37.050 1.00 39.02 C ATOM 72 OD1 ASN A1441 9.314 -2.455 36.549 1.00 35.96 O ATOM 73 ND2 ASN A1441 8.042 -3.347 38.171 1.00 34.69 N ATOM 74 HD22 ASN A1441 7.087 -3.488 38.559 1.00 0.00 H ATOM 75 HD21 ASN A1441 8.867 -3.749 38.660 1.00 0.00 H ATOM 76 H ASN A1441 6.487 -5.029 36.621 1.00 0.00 H ATOM 77 N ARG A1442 6.806 -3.370 33.205 1.00 22.18 N ATOM 78 CA ARG A1442 7.649 -3.731 32.069 1.00 22.12 C ATOM 79 C ARG A1442 8.762 -2.715 31.858 1.00 19.22 C ATOM 80 O ARG A1442 8.470 -1.559 31.563 1.00 23.32 O ATOM 81 CB ARG A1442 6.818 -3.812 30.797 1.00 20.70 C ATOM 82 CG ARG A1442 5.686 -4.770 30.890 1.00 31.08 C ATOM 83 CD ARG A1442 4.801 -4.724 29.652 1.00 22.23 C ATOM 84 NE ARG A1442 3.930 -5.887 29.671 1.00 21.66 N ATOM 85 CZ ARG A1442 4.332 -7.089 29.272 1.00 26.53 C ATOM 86 NH1 ARG A1442 5.571 -7.243 28.805 1.00 25.19 N ATOM 87 NH2 ARG A1442 3.508 -8.125 29.325 1.00 29.99 N ATOM 88 HE ARG A1442 2.953 -5.774 30.010 1.00 0.00 H ATOM 89 HH12 ARG A1442 5.895 -8.180 28.490 1.00 0.00 H ATOM 90 HH11 ARG A1442 6.213 -6.427 28.755 1.00 0.00 H ATOM 91 HH22 ARG A1442 3.830 -9.062 29.011 1.00 0.00 H ATOM 92 HH21 ARG A1442 2.539 -8.001 29.681 1.00 0.00 H ATOM 93 H ARG A1442 5.920 -2.850 33.040 1.00 0.00 H ATOM 94 N PRO A1443 10.032 -3.143 31.978 1.00 20.38 N ATOM 95 CA PRO A1443 11.134 -2.202 31.726 1.00 19.57 C ATOM 96 C PRO A1443 11.358 -1.904 30.248 1.00 21.15 C ATOM 97 O PRO A1443 12.068 -0.957 29.927 1.00 20.96 O ATOM 98 CB PRO A1443 12.344 -2.919 32.328 1.00 20.47 C ATOM 99 CG PRO A1443 12.010 -4.369 32.205 1.00 29.39 C ATOM 100 CD PRO A1443 10.525 -4.455 32.431 1.00 26.41 C ATOM 101 N VAL A1444 10.759 -2.698 29.368 1.00 18.61 N ATOM 102 CA VAL A1444 10.894 -2.519 27.927 1.00 19.20 C ATOM 103 C VAL A1444 9.507 -2.470 27.274 1.00 16.76 C ATOM 104 O VAL A1444 8.649 -3.275 27.610 1.00 15.41 O ATOM 105 CB VAL A1444 11.744 -3.662 27.320 1.00 19.80 C ATOM 106 CG1 VAL A1444 11.801 -3.544 25.814 1.00 18.07 C ATOM 107 CG2 VAL A1444 13.158 -3.630 27.913 1.00 16.19 C ATOM 108 H VAL A1444 10.170 -3.479 29.721 1.00 0.00 H ATOM 109 N LYS A1445 9.279 -1.513 26.371 1.00 13.12 N ATOM 110 CA LYS A1445 7.978 -1.377 25.693 1.00 13.33 C ATOM 111 C LYS A1445 8.239 -1.276 24.204 1.00 15.85 C ATOM 112 O LYS A1445 9.323 -0.854 23.810 1.00 14.92 O ATOM 113 CB LYS A1445 7.210 -0.128 26.170 1.00 15.44 C ATOM 114 CG LYS A1445 6.816 -0.128 27.646 1.00 13.80 C ATOM 115 CD LYS A1445 5.639 -1.056 27.931 1.00 15.19 C ATOM 116 CE LYS A1445 4.342 -0.450 27.429 1.00 15.26 C ATOM 117 NZ LYS A1445 3.176 -1.134 28.039 1.00 16.76 N ATOM 118 HZ1 LYS A1445 3.197 -2.143 27.787 1.00 0.00 H ATOM 119 HZ2 LYS A1445 3.218 -1.032 29.073 1.00 0.00 H ATOM 120 HZ3 LYS A1445 2.298 -0.705 27.683 1.00 0.00 H ATOM 121 H LYS A1445 10.042 -0.845 26.140 1.00 0.00 H ATOM 122 N ARG A1446 7.278 -1.650 23.366 1.00 12.47 N ATOM 123 CA ARG A1446 7.493 -1.408 21.951 1.00 11.52 C ATOM 124 C ARG A1446 6.566 -0.276 21.515 1.00 12.80 C ATOM 125 O ARG A1446 5.381 -0.225 21.881 1.00 13.69 O ATOM 126 CB ARG A1446 7.311 -2.696 21.120 1.00 17.97 C ATOM 127 CG ARG A1446 5.946 -3.277 21.007 1.00 17.40 C ATOM 128 CD ARG A1446 5.973 -4.606 20.157 1.00 13.54 C ATOM 129 NE ARG A1446 6.531 -5.752 20.884 1.00 12.69 N ATOM 130 CZ ARG A1446 5.830 -6.819 21.272 1.00 15.78 C ATOM 131 NH1 ARG A1446 4.524 -6.910 21.007 1.00 14.33 N ATOM 132 NH2 ARG A1446 6.426 -7.808 21.929 1.00 15.31 N ATOM 133 HE ARG A1446 7.545 -5.731 21.113 1.00 0.00 H ATOM 134 HH12 ARG A1446 3.988 -7.747 21.314 1.00 0.00 H ATOM 135 HH11 ARG A1446 4.043 -6.144 20.493 1.00 0.00 H ATOM 136 HH22 ARG A1446 5.876 -8.638 22.230 1.00 0.00 H ATOM 137 HH21 ARG A1446 7.442 -7.752 22.143 1.00 0.00 H ATOM 138 H ARG A1446 6.405 -2.099 23.711 1.00 0.00 H ATOM 139 N MET A1447 7.135 0.662 20.770 1.00 12.47 N ATOM 140 CA MET A1447 6.404 1.852 20.371 1.00 12.13 C ATOM 141 C MET A1447 6.500 2.091 18.873 1.00 14.12 C ATOM 142 O MET A1447 7.588 2.097 18.304 1.00 14.24 O ATOM 143 CB MET A1447 6.928 3.069 21.128 1.00 11.30 C ATOM 144 CG MET A1447 6.706 2.982 22.631 1.00 11.87 C ATOM 145 SD MET A1447 6.887 4.556 23.486 1.00 19.48 S ATOM 146 CE MET A1447 5.343 5.356 22.996 1.00 17.41 C ATOM 147 H MET A1447 8.122 0.543 20.466 1.00 0.00 H ATOM 148 N ILE A1448 5.352 2.303 18.252 1.00 10.02 N ATOM 149 CA ILE A1448 5.252 2.539 16.824 1.00 8.82 C ATOM 150 C ILE A1448 5.524 4.010 16.471 1.00 10.93 C ATOM 151 O ILE A1448 4.889 4.930 17.017 1.00 10.43 O ATOM 152 CB ILE A1448 3.834 2.180 16.310 1.00 12.18 C ATOM 153 CG1 ILE A1448 3.456 0.751 16.693 1.00 14.53 C ATOM 154 CG2 ILE A1448 3.739 2.367 14.815 1.00 11.45 C ATOM 155 CD1 ILE A1448 1.942 0.497 16.511 1.00 14.95 C ATOM 156 H ILE A1448 4.478 2.300 18.815 1.00 0.00 H ATOM 157 N ALA A1449 6.438 4.225 15.534 1.00 12.47 N ATOM 158 CA ALA A1449 6.687 5.563 15.004 1.00 9.05 C ATOM 159 C ALA A1449 5.569 5.966 14.073 1.00 8.72 C ATOM 160 O ALA A1449 5.256 5.244 13.145 1.00 10.29 O ATOM 161 CB ALA A1449 8.048 5.605 14.265 1.00 12.53 C ATOM 162 H ALA A1449 6.990 3.423 15.169 1.00 0.00 H ATOM 163 N LEU A1450 4.963 7.130 14.337 1.00 9.76 N ATOM 164 CA LEU A1450 3.855 7.633 13.532 1.00 10.89 C ATOM 165 C LEU A1450 4.269 8.660 12.490 1.00 11.67 C ATOM 166 O LEU A1450 3.488 8.996 11.588 1.00 12.43 O ATOM 167 CB LEU A1450 2.786 8.258 14.453 1.00 11.65 C ATOM 168 CG LEU A1450 2.110 7.231 15.368 1.00 11.04 C ATOM 169 CD1 LEU A1450 1.096 7.928 16.279 1.00 14.28 C ATOM 170 CD2 LEU A1450 1.404 6.140 14.548 1.00 15.19 C ATOM 171 H LEU A1450 5.294 7.696 15.145 1.00 0.00 H ATOM 172 N TYR A1451 5.505 9.150 12.609 1.00 14.61 N ATOM 173 CA TYR A1451 6.031 10.194 11.737 1.00 12.32 C ATOM 174 C TYR A1451 7.518 9.968 11.520 1.00 11.61 C ATOM 175 O TYR A1451 8.192 9.452 12.422 1.00 13.29 O ATOM 176 CB TYR A1451 5.819 11.585 12.362 1.00 13.68 C ATOM 177 CG TYR A1451 4.365 11.868 12.636 1.00 9.68 C ATOM 178 CD1 TYR A1451 3.542 12.403 11.643 1.00 9.82 C ATOM 179 CD2 TYR A1451 3.800 11.567 13.866 1.00 12.27 C ATOM 180 CE1 TYR A1451 2.167 12.647 11.885 1.00 10.65 C ATOM 181 CE2 TYR A1451 2.440 11.802 14.107 1.00 12.12 C ATOM 182 CZ TYR A1451 1.642 12.348 13.119 1.00 14.48 C ATOM 183 OH TYR A1451 0.303 12.566 13.398 1.00 14.97 O ATOM 184 HH TYR A1451 -0.139 12.958 12.603 1.00 0.00 H ATOM 185 H TYR A1451 6.120 8.770 13.357 1.00 0.00 H ATOM 186 N ASP A1452 8.025 10.379 10.357 1.00 10.08 N ATOM 187 CA ASP A1452 9.470 10.273 10.094 1.00 11.98 C ATOM 188 C ASP A1452 10.217 11.214 11.008 1.00 13.85 C ATOM 189 O ASP A1452 9.753 12.338 11.223 1.00 12.43 O ATOM 190 CB ASP A1452 9.802 10.633 8.659 1.00 14.39 C ATOM 191 CG ASP A1452 9.223 9.667 7.660 1.00 18.75 C ATOM 192 OD1 ASP A1452 8.726 8.595 8.052 1.00 16.24 O ATOM 193 OD2 ASP A1452 9.259 9.992 6.462 1.00 20.11 O ATOM 194 H ASP A1452 7.396 10.777 9.631 1.00 0.00 H ATOM 195 N TYR A1453 11.384 10.791 11.512 1.00 12.93 N ATOM 196 CA TYR A1453 12.243 11.688 12.282 1.00 10.35 C ATOM 197 C TYR A1453 13.715 11.577 11.914 1.00 14.08 C ATOM 198 O TYR A1453 14.341 10.551 12.145 1.00 15.38 O ATOM 199 CB TYR A1453 12.102 11.426 13.781 1.00 12.77 C ATOM 200 CG TYR A1453 12.782 12.447 14.674 1.00 10.89 C ATOM 201 CD1 TYR A1453 12.286 13.748 14.773 1.00 11.35 C ATOM 202 CD2 TYR A1453 13.869 12.097 15.471 1.00 12.72 C ATOM 203 CE1 TYR A1453 12.878 14.687 15.604 1.00 13.62 C ATOM 204 CE2 TYR A1453 14.463 13.033 16.329 1.00 12.52 C ATOM 205 CZ TYR A1453 13.966 14.323 16.380 1.00 12.01 C ATOM 206 OH TYR A1453 14.519 15.255 17.204 1.00 13.49 O ATOM 207 HH TYR A1453 15.471 15.383 16.963 1.00 0.00 H ATOM 208 H TYR A1453 11.684 9.808 11.353 1.00 0.00 H ATOM 209 N ASP A1454 14.242 12.657 11.349 1.00 11.83 N ATOM 210 CA ASP A1454 15.677 12.823 11.142 1.00 13.92 C ATOM 211 C ASP A1454 16.115 14.013 11.981 1.00 11.16 C ATOM 212 O ASP A1454 15.718 15.144 11.715 1.00 14.38 O ATOM 213 CB ASP A1454 15.978 13.036 9.660 1.00 19.24 C ATOM 214 CG ASP A1454 17.471 13.106 9.364 1.00 25.74 C ATOM 215 OD1 ASP A1454 18.276 13.183 10.317 1.00 26.65 O ATOM 216 OD2 ASP A1454 17.833 13.079 8.173 1.00 26.17 O ATOM 217 H ASP A1454 13.604 13.418 11.040 1.00 0.00 H ATOM 218 N PRO A1455 16.910 13.760 13.017 1.00 13.69 N ATOM 219 CA PRO A1455 17.299 14.818 13.950 1.00 16.59 C ATOM 220 C PRO A1455 17.921 16.005 13.227 1.00 14.32 C ATOM 221 O PRO A1455 17.719 17.124 13.669 1.00 15.07 O ATOM 222 CB PRO A1455 18.318 14.129 14.866 1.00 13.93 C ATOM 223 CG PRO A1455 17.995 12.661 14.752 1.00 19.08 C ATOM 224 CD PRO A1455 17.456 12.442 13.391 1.00 19.99 C ATOM 225 N GLN A1456 18.646 15.786 12.128 1.00 17.88 N ATOM 226 CA GLN A1456 19.272 16.901 11.399 1.00 22.58 C ATOM 227 C GLN A1456 18.248 17.805 10.746 1.00 21.36 C ATOM 228 O GLN A1456 18.502 18.988 10.499 1.00 20.96 O ATOM 229 CB GLN A1456 20.226 16.389 10.325 1.00 25.34 C ATOM 230 CG GLN A1456 21.476 15.798 10.865 1.00 19.97 C ATOM 231 CD GLN A1456 22.577 15.707 9.827 1.00 31.16 C ATOM 232 OE1 GLN A1456 22.925 16.695 9.177 1.00 26.31 O ATOM 233 NE2 GLN A1456 23.136 14.514 9.669 1.00 27.43 N ATOM 234 HE22 GLN A1456 22.811 13.708 10.239 1.00 0.00 H ATOM 235 HE21 GLN A1456 23.900 14.385 8.975 1.00 0.00 H ATOM 236 H GLN A1456 18.770 14.813 11.782 1.00 0.00 H ATOM 237 N GLU A1457 17.080 17.252 10.448 1.00 17.23 N ATOM 238 CA GLU A1457 16.026 18.042 9.810 1.00 17.65 C ATOM 239 C GLU A1457 15.047 18.657 10.799 1.00 21.69 C ATOM 240 O GLU A1457 14.434 19.687 10.520 1.00 21.98 O ATOM 241 CB GLU A1457 15.230 17.186 8.834 1.00 14.30 C ATOM 242 CG GLU A1457 15.993 16.767 7.621 1.00 26.52 C ATOM 243 CD GLU A1457 15.274 15.711 6.815 1.00 37.44 C ATOM 244 OE1 GLU A1457 14.056 15.509 7.043 1.00 32.40 O ATOM 245 OE2 GLU A1457 15.933 15.088 5.952 1.00 36.96 O ATOM 246 H GLU A1457 16.912 16.250 10.669 1.00 0.00 H ATOM 247 N LEU A1458 14.862 18.005 11.940 1.00 19.22 N ATOM 248 CA LEU A1458 13.752 18.348 12.803 1.00 13.81 C ATOM 249 C LEU A1458 14.088 18.647 14.260 1.00 12.44 C ATOM 250 O LEU A1458 13.274 19.229 14.972 1.00 13.69 O ATOM 251 CB LEU A1458 12.730 17.201 12.759 1.00 15.55 C ATOM 252 CG LEU A1458 12.062 16.997 11.400 1.00 15.77 C ATOM 253 CD1 LEU A1458 11.038 15.868 11.471 1.00 16.21 C ATOM 254 CD2 LEU A1458 11.380 18.273 10.946 1.00 21.28 C ATOM 255 H LEU A1458 15.517 17.245 12.215 1.00 0.00 H ATOM 256 N SER A1459 15.265 18.243 14.731 1.00 12.08 N ATOM 257 CA SER A1459 15.560 18.430 16.153 1.00 9.34 C ATOM 258 C SER A1459 15.995 19.851 16.492 1.00 12.23 C ATOM 259 O SER A1459 16.786 20.444 15.753 1.00 12.77 O ATOM 260 CB SER A1459 16.661 17.470 16.611 1.00 13.01 C ATOM 261 OG SER A1459 16.834 17.589 18.012 1.00 10.80 O ATOM 262 HG SER A1459 17.546 16.969 18.309 1.00 0.00 H ATOM 263 H SER A1459 15.964 17.802 14.100 1.00 0.00 H ATOM 264 N PRO A1460 15.508 20.378 17.630 1.00 10.96 N ATOM 265 CA PRO A1460 15.956 21.676 18.126 1.00 10.64 C ATOM 266 C PRO A1460 17.162 21.572 19.038 1.00 14.63 C ATOM 267 O PRO A1460 17.516 22.566 19.641 1.00 16.68 O ATOM 268 CB PRO A1460 14.751 22.182 18.916 1.00 10.50 C ATOM 269 CG PRO A1460 14.169 20.883 19.497 1.00 12.73 C ATOM 270 CD PRO A1460 14.326 19.880 18.370 1.00 11.29 C ATOM 271 N ASN A1461 17.785 20.398 19.157 1.00 10.50 N ATOM 272 CA ASN A1461 18.748 20.216 20.228 1.00 13.08 C ATOM 273 C ASN A1461 20.179 20.284 19.759 1.00 15.73 C ATOM 274 O ASN A1461 20.503 19.727 18.723 1.00 11.51 O ATOM 275 CB ASN A1461 18.483 18.883 20.907 1.00 8.20 C ATOM 276 CG ASN A1461 17.148 18.900 21.616 1.00 11.98 C ATOM 277 OD1 ASN A1461 16.842 19.861 22.334 1.00 10.88 O ATOM 278 ND2 ASN A1461 16.324 17.898 21.365 1.00 12.01 N ATOM 279 HD22 ASN A1461 16.630 17.114 20.754 1.00 0.00 H ATOM 280 HD21 ASN A1461 15.370 17.894 21.778 1.00 0.00 H ATOM 281 H ASN A1461 17.584 19.624 18.492 1.00 0.00 H ATOM 282 N VAL A1462 21.036 20.942 20.536 1.00 9.24 N ATOM 283 CA VAL A1462 22.390 21.234 20.051 1.00 9.68 C ATOM 284 C VAL A1462 23.233 19.966 19.893 1.00 12.76 C ATOM 285 O VAL A1462 24.183 19.961 19.111 1.00 12.66 O ATOM 286 CB VAL A1462 23.108 22.244 20.988 1.00 13.90 C ATOM 287 CG1 VAL A1462 23.503 21.598 22.295 1.00 13.67 C ATOM 288 CG2 VAL A1462 24.345 22.833 20.313 1.00 17.44 C ATOM 289 H VAL A1462 20.746 21.249 21.486 1.00 0.00 H ATOM 290 N ASP A1463 22.866 18.911 20.623 1.00 9.69 N ATOM 291 CA ASP A1463 23.603 17.641 20.613 1.00 11.85 C ATOM 292 C ASP A1463 22.814 16.551 19.884 1.00 12.34 C ATOM 293 O ASP A1463 23.049 15.365 20.082 1.00 11.98 O ATOM 294 CB ASP A1463 23.923 17.182 22.043 1.00 11.49 C ATOM 295 CG ASP A1463 22.693 17.103 22.941 1.00 14.07 C ATOM 296 OD1 ASP A1463 21.572 17.355 22.455 1.00 13.69 O ATOM 297 OD2 ASP A1463 22.860 16.788 24.148 1.00 12.38 O ATOM 298 H ASP A1463 22.022 18.992 21.225 1.00 0.00 H ATOM 299 N ALA A1464 21.888 16.964 19.024 1.00 10.01 N ATOM 300 CA ALA A1464 20.958 16.020 18.413 1.00 13.66 C ATOM 301 C ALA A1464 21.644 14.921 17.623 1.00 9.97 C ATOM 302 O ALA A1464 21.281 13.743 17.716 1.00 12.69 O ATOM 303 CB ALA A1464 19.987 16.765 17.509 1.00 14.33 C ATOM 304 H ALA A1464 21.826 17.974 18.783 1.00 0.00 H ATOM 305 N GLU A1465 22.619 15.299 16.810 1.00 11.03 N ATOM 306 CA GLU A1465 23.209 14.337 15.885 1.00 11.83 C ATOM 307 C GLU A1465 23.965 13.255 16.653 1.00 16.86 C ATOM 308 O GLU A1465 24.009 12.096 16.232 1.00 16.78 O ATOM 309 CB GLU A1465 24.122 15.045 14.890 1.00 16.05 C ATOM 310 CG GLU A1465 23.370 15.848 13.814 1.00 17.86 C ATOM 311 CD GLU A1465 22.544 16.984 14.385 1.00 18.91 C ATOM 312 OE1 GLU A1465 23.087 17.771 15.194 1.00 14.40 O ATOM 313 OE2 GLU A1465 21.337 17.075 14.048 1.00 18.44 O ATOM 314 H GLU A1465 22.964 16.280 16.831 1.00 0.00 H ATOM 315 N GLN A1466 24.543 13.629 17.791 1.00 11.08 N ATOM 316 CA GLN A1466 25.229 12.674 18.644 1.00 11.06 C ATOM 317 C GLN A1466 24.290 11.724 19.389 1.00 14.64 C ATOM 318 O GLN A1466 24.595 10.538 19.540 1.00 14.71 O ATOM 319 CB GLN A1466 26.100 13.407 19.668 1.00 15.03 C ATOM 320 CG GLN A1466 27.358 14.015 19.070 1.00 11.25 C ATOM 321 CD GLN A1466 27.182 15.438 18.617 1.00 14.54 C ATOM 322 OE1 GLN A1466 26.051 15.955 18.510 1.00 11.62 O ATOM 323 NE2 GLN A1466 28.302 16.090 18.309 1.00 11.33 N ATOM 324 HE22 GLN A1466 29.223 15.619 18.414 1.00 0.00 H ATOM 325 HE21 GLN A1466 28.255 17.070 17.964 1.00 0.00 H ATOM 326 H GLN A1466 24.503 14.628 18.077 1.00 0.00 H ATOM 327 N VAL A1467 23.159 12.223 19.877 1.00 11.99 N ATOM 328 CA VAL A1467 22.451 11.438 20.877 1.00 12.30 C ATOM 329 C VAL A1467 21.051 10.954 20.491 1.00 12.79 C ATOM 330 O VAL A1467 20.505 10.110 21.202 1.00 10.16 O ATOM 331 CB VAL A1467 22.343 12.213 22.226 1.00 16.46 C ATOM 332 CG1 VAL A1467 23.746 12.705 22.709 1.00 15.98 C ATOM 333 CG2 VAL A1467 21.363 13.354 22.118 1.00 13.75 C ATOM 334 H VAL A1467 22.793 13.142 19.556 1.00 0.00 H ATOM 335 N GLU A1468 20.509 11.445 19.373 1.00 8.14 N ATOM 336 CA GLU A1468 19.143 11.081 18.948 1.00 10.11 C ATOM 337 C GLU A1468 19.140 10.050 17.814 1.00 16.06 C ATOM 338 O GLU A1468 20.080 9.952 17.024 1.00 15.94 O ATOM 339 CB GLU A1468 18.354 12.341 18.541 1.00 10.32 C ATOM 340 CG GLU A1468 18.189 13.298 19.702 1.00 11.98 C ATOM 341 CD GLU A1468 17.449 14.586 19.349 1.00 12.57 C ATOM 342 OE1 GLU A1468 16.877 14.670 18.251 1.00 11.97 O ATOM 343 OE2 GLU A1468 17.494 15.512 20.179 1.00 11.04 O ATOM 344 H GLU A1468 21.064 12.101 18.787 1.00 0.00 H ATOM 345 N LEU A1469 18.077 9.258 17.779 1.00 11.02 N ATOM 346 CA LEU A1469 17.913 8.177 16.824 1.00 15.74 C ATOM 347 C LEU A1469 17.064 8.627 15.627 1.00 18.22 C ATOM 348 O LEU A1469 16.086 9.365 15.798 1.00 22.68 O ATOM 349 CB LEU A1469 17.271 6.983 17.546 1.00 15.88 C ATOM 350 CG LEU A1469 17.170 5.590 16.944 1.00 26.60 C ATOM 351 CD1 LEU A1469 18.541 5.081 16.589 1.00 26.13 C ATOM 352 CD2 LEU A1469 16.525 4.671 17.979 1.00 20.20 C ATOM 353 H LEU A1469 17.320 9.420 18.473 1.00 0.00 H ATOM 354 N CYS A1470 17.476 8.222 14.424 1.00 15.22 N ATOM 355 CA CYS A1470 16.700 8.446 13.211 1.00 14.47 C ATOM 356 C CYS A1470 15.691 7.305 12.988 1.00 13.36 C ATOM 357 O CYS A1470 16.011 6.153 13.232 1.00 16.09 O ATOM 358 CB CYS A1470 17.658 8.555 12.023 1.00 20.70 C ATOM 359 SG CYS A1470 16.932 9.074 10.479 1.00 27.22 S ATOM 360 H CYS A1470 18.387 7.727 14.349 1.00 0.00 H ATOM 361 N PHE A1471 14.480 7.617 12.515 1.00 11.55 N ATOM 362 CA PHE A1471 13.533 6.542 12.206 1.00 10.16 C ATOM 363 C PHE A1471 12.462 6.986 11.219 1.00 12.95 C ATOM 364 O PHE A1471 12.335 8.177 10.927 1.00 13.25 O ATOM 365 CB PHE A1471 12.871 5.999 13.487 1.00 12.79 C ATOM 366 CG PHE A1471 12.225 7.062 14.351 1.00 10.79 C ATOM 367 CD1 PHE A1471 10.930 7.473 14.115 1.00 10.95 C ATOM 368 CD2 PHE A1471 12.931 7.649 15.393 1.00 10.01 C ATOM 369 CE1 PHE A1471 10.342 8.431 14.907 1.00 13.43 C ATOM 370 CE2 PHE A1471 12.358 8.593 16.184 1.00 13.65 C ATOM 371 CZ PHE A1471 11.049 8.995 15.939 1.00 13.09 C ATOM 372 H PHE A1471 14.213 8.611 12.368 1.00 0.00 H ATOM 373 N LYS A1472 11.703 6.012 10.715 1.00 13.66 N ATOM 374 CA LYS A1472 10.655 6.258 9.723 1.00 14.37 C ATOM 375 C LYS A1472 9.298 5.784 10.217 1.00 12.23 C ATOM 376 O LYS A1472 9.192 4.860 11.024 1.00 12.02 O ATOM 377 CB LYS A1472 10.995 5.564 8.400 1.00 15.61 C ATOM 378 CG LYS A1472 12.292 6.077 7.742 1.00 16.57 C ATOM 379 CD LYS A1472 12.109 7.458 7.130 1.00 15.43 C ATOM 380 CE LYS A1472 13.349 7.877 6.337 1.00 27.11 C ATOM 381 NZ LYS A1472 13.113 9.099 5.527 1.00 32.56 N ATOM 382 HZ1 LYS A1472 12.342 8.922 4.851 1.00 0.00 H ATOM 383 HZ2 LYS A1472 12.851 9.885 6.156 1.00 0.00 H ATOM 384 HZ3 LYS A1472 13.981 9.343 5.009 1.00 0.00 H ATOM 385 H LYS A1472 11.862 5.037 11.040 1.00 0.00 H ATOM 386 N THR A1473 8.252 6.424 9.719 1.00 13.91 N ATOM 387 CA THR A1473 6.890 6.011 10.037 1.00 9.23 C ATOM 388 C THR A1473 6.696 4.497 9.898 1.00 9.60 C ATOM 389 O THR A1473 7.111 3.918 8.905 1.00 13.94 O ATOM 390 CB THR A1473 5.918 6.711 9.107 1.00 11.20 C ATOM 391 OG1 THR A1473 6.062 8.124 9.262 1.00 13.23 O ATOM 392 CG2 THR A1473 4.446 6.295 9.393 1.00 11.86 C ATOM 393 HG1 THR A1473 6.989 8.387 9.036 1.00 0.00 H ATOM 394 H THR A1473 8.404 7.237 9.089 1.00 0.00 H ATOM 395 N GLY A1474 6.063 3.869 10.882 1.00 12.70 N ATOM 396 CA GLY A1474 5.802 2.429 10.789 1.00 10.48 C ATOM 397 C GLY A1474 6.880 1.562 11.421 1.00 11.32 C ATOM 398 O GLY A1474 6.639 0.382 11.685 1.00 14.08 O ATOM 399 H GLY A1474 5.752 4.400 11.721 1.00 0.00 H ATOM 400 N GLU A1475 8.072 2.125 11.670 1.00 12.85 N ATOM 401 CA GLU A1475 9.098 1.338 12.355 1.00 10.46 C ATOM 402 C GLU A1475 8.767 1.251 13.825 1.00 13.13 C ATOM 403 O GLU A1475 8.155 2.153 14.373 1.00 14.92 O ATOM 404 CB GLU A1475 10.498 1.946 12.185 1.00 9.53 C ATOM 405 CG GLU A1475 10.958 1.960 10.757 1.00 12.30 C ATOM 406 CD GLU A1475 12.428 2.252 10.639 1.00 15.98 C ATOM 407 OE1 GLU A1475 12.809 3.422 10.747 1.00 15.03 O ATOM 408 OE2 GLU A1475 13.204 1.298 10.456 1.00 23.78 O ATOM 409 H GLU A1475 8.264 3.105 11.381 1.00 0.00 H ATOM 410 N ILE A1476 9.191 0.173 14.463 1.00 11.97 N ATOM 411 CA ILE A1476 8.941 -0.041 15.887 1.00 11.52 C ATOM 412 C ILE A1476 10.213 0.130 16.707 1.00 14.16 C ATOM 413 O ILE A1476 11.212 -0.522 16.433 1.00 12.82 O ATOM 414 CB ILE A1476 8.371 -1.448 16.157 1.00 16.46 C ATOM 415 CG1 ILE A1476 7.315 -1.798 15.110 1.00 12.93 C ATOM 416 CG2 ILE A1476 7.802 -1.527 17.567 1.00 11.88 C ATOM 417 CD1 ILE A1476 6.159 -0.836 15.097 1.00 11.73 C ATOM 418 H ILE A1476 9.721 -0.548 13.933 1.00 0.00 H ATOM 419 N ILE A1477 10.148 0.997 17.714 1.00 9.34 N ATOM 420 CA ILE A1477 11.268 1.306 18.597 1.00 11.67 C ATOM 421 C ILE A1477 11.108 0.567 19.909 1.00 12.58 C ATOM 422 O ILE A1477 10.048 0.628 20.513 1.00 12.31 O ATOM 423 CB ILE A1477 11.343 2.825 18.913 1.00 12.18 C ATOM 424 CG1 ILE A1477 11.125 3.666 17.645 1.00 12.78 C ATOM 425 CG2 ILE A1477 12.633 3.177 19.675 1.00 12.81 C ATOM 426 CD1 ILE A1477 12.149 3.479 16.574 1.00 13.08 C ATOM 427 H ILE A1477 9.245 1.484 17.882 1.00 0.00 H ATOM 428 N LEU A1478 12.146 -0.142 20.349 1.00 8.84 N ATOM 429 CA LEU A1478 12.122 -0.698 21.707 1.00 11.46 C ATOM 430 C LEU A1478 12.549 0.389 22.675 1.00 14.03 C ATOM 431 O LEU A1478 13.645 0.933 22.545 1.00 14.51 O ATOM 432 CB LEU A1478 13.055 -1.909 21.842 1.00 10.58 C ATOM 433 CG LEU A1478 12.594 -3.201 21.169 1.00 10.46 C ATOM 434 CD1 LEU A1478 13.722 -4.211 21.145 1.00 13.29 C ATOM 435 CD2 LEU A1478 11.385 -3.775 21.900 1.00 11.45 C ATOM 436 H LEU A1478 12.969 -0.301 19.734 1.00 0.00 H ATOM 437 N VAL A1479 11.700 0.691 23.653 1.00 10.44 N ATOM 438 CA VAL A1479 11.934 1.791 24.576 1.00 14.43 C ATOM 439 C VAL A1479 12.246 1.251 25.977 1.00 13.81 C ATOM 440 O VAL A1479 11.538 0.398 26.490 1.00 13.88 O ATOM 441 CB VAL A1479 10.701 2.723 24.608 1.00 19.54 C ATOM 442 CG1 VAL A1479 10.747 3.620 25.804 1.00 20.76 C ATOM 443 CG2 VAL A1479 10.612 3.504 23.288 1.00 18.36 C ATOM 444 H VAL A1479 10.838 0.120 23.762 1.00 0.00 H ATOM 445 N TYR A1480 13.322 1.743 26.582 1.00 11.43 N ATOM 446 CA TYR A1480 13.791 1.249 27.872 1.00 12.98 C ATOM 447 C TYR A1480 13.518 2.245 28.987 1.00 16.04 C ATOM 448 O TYR A1480 14.036 3.344 28.962 1.00 15.03 O ATOM 449 CB TYR A1480 15.302 0.960 27.800 1.00 13.89 C ATOM 450 CG TYR A1480 15.602 -0.050 26.730 1.00 16.18 C ATOM 451 CD1 TYR A1480 15.790 0.326 25.405 1.00 18.44 C ATOM 452 CD2 TYR A1480 15.632 -1.394 27.032 1.00 21.65 C ATOM 453 CE1 TYR A1480 16.008 -0.618 24.430 1.00 16.59 C ATOM 454 CE2 TYR A1480 15.862 -2.330 26.071 1.00 23.35 C ATOM 455 CZ TYR A1480 16.043 -1.950 24.785 1.00 22.50 C ATOM 456 OH TYR A1480 16.262 -2.935 23.862 1.00 21.24 O ATOM 457 HH TYR A1480 17.079 -3.438 24.105 1.00 0.00 H ATOM 458 H TYR A1480 13.850 2.510 26.118 1.00 0.00 H ATOM 459 N GLY A1481 12.731 1.853 29.977 1.00 17.64 N ATOM 460 CA GLY A1481 12.438 2.754 31.075 1.00 18.70 C ATOM 461 C GLY A1481 11.517 3.911 30.719 1.00 17.99 C ATOM 462 O GLY A1481 10.810 3.872 29.716 1.00 16.63 O ATOM 463 H GLY A1481 12.322 0.897 29.967 1.00 0.00 H ATOM 464 N ASP A1482 11.538 4.946 31.559 1.00 17.25 N ATOM 465 CA ASP A1482 10.624 6.087 31.452 1.00 15.78 C ATOM 466 C ASP A1482 11.150 7.176 30.514 1.00 16.59 C ATOM 467 O ASP A1482 12.335 7.220 30.238 1.00 16.24 O ATOM 468 CB ASP A1482 10.390 6.731 32.822 1.00 26.92 C ATOM 469 CG ASP A1482 10.163 5.720 33.932 1.00 41.27 C ATOM 470 OD1 ASP A1482 9.475 4.707 33.699 1.00 37.14 O ATOM 471 OD2 ASP A1482 10.663 5.958 35.053 1.00 51.64 O ATOM 472 H ASP A1482 12.238 4.944 32.328 1.00 0.00 H ATOM 473 N MET A1483 10.282 8.080 30.063 1.00 13.55 N ATOM 474 CA MET A1483 10.796 9.239 29.331 1.00 14.06 C ATOM 475 C MET A1483 11.604 10.112 30.288 1.00 17.80 C ATOM 476 O MET A1483 11.375 10.109 31.493 1.00 18.02 O ATOM 477 CB MET A1483 9.666 10.043 28.664 1.00 22.33 C ATOM 478 CG MET A1483 8.810 10.893 29.572 1.00 21.88 C ATOM 479 SD MET A1483 7.679 11.998 28.652 1.00 21.90 S ATOM 480 CE MET A1483 6.679 10.838 27.720 1.00 17.92 C ATOM 481 H MET A1483 9.262 7.965 30.227 1.00 0.00 H ATOM 482 N ASP A1484 12.575 10.838 29.756 1.00 15.87 N ATOM 483 CA ASP A1484 13.360 11.727 30.608 1.00 14.05 C ATOM 484 C ASP A1484 12.590 13.022 30.824 1.00 14.74 C ATOM 485 O ASP A1484 11.479 13.193 30.309 1.00 16.73 O ATOM 486 CB ASP A1484 14.785 11.987 30.032 1.00 18.82 C ATOM 487 CG ASP A1484 14.789 12.721 28.686 1.00 17.27 C ATOM 488 OD1 ASP A1484 13.807 13.425 28.350 1.00 16.89 O ATOM 489 OD2 ASP A1484 15.834 12.632 27.981 1.00 17.60 O ATOM 490 H ASP A1484 12.777 10.776 28.738 1.00 0.00 H ATOM 491 N GLU A1485 13.167 13.941 31.593 1.00 18.31 N ATOM 492 CA GLU A1485 12.451 15.152 31.942 1.00 19.76 C ATOM 493 C GLU A1485 12.198 16.069 30.744 1.00 19.00 C ATOM 494 O GLU A1485 11.384 16.983 30.836 1.00 18.45 O ATOM 495 CB GLU A1485 13.199 15.900 33.044 1.00 28.48 C ATOM 496 CG GLU A1485 14.638 16.218 32.733 1.00 45.16 C ATOM 497 CD GLU A1485 15.338 16.911 33.891 1.00 58.15 C ATOM 498 OE1 GLU A1485 14.654 17.287 34.870 1.00 64.38 O ATOM 499 OE2 GLU A1485 16.572 17.076 33.823 1.00 65.82 O ATOM 500 H GLU A1485 14.134 13.790 31.945 1.00 0.00 H ATOM 501 N ASP A1486 12.849 15.800 29.614 1.00 12.16 N ATOM 502 CA ASP A1486 12.667 16.612 28.413 1.00 12.01 C ATOM 503 C ASP A1486 11.677 16.005 27.436 1.00 17.42 C ATOM 504 O ASP A1486 11.336 16.616 26.425 1.00 18.05 O ATOM 505 CB ASP A1486 14.003 16.821 27.703 1.00 15.63 C ATOM 506 CG ASP A1486 15.031 17.490 28.592 1.00 17.67 C ATOM 507 OD1 ASP A1486 14.668 18.445 29.315 1.00 21.68 O ATOM 508 OD2 ASP A1486 16.191 17.055 28.561 1.00 18.07 O ATOM 509 H ASP A1486 13.503 14.992 29.586 1.00 0.00 H ATOM 510 N GLY A1487 11.225 14.792 27.731 1.00 13.51 N ATOM 511 CA GLY A1487 10.284 14.131 26.856 1.00 11.36 C ATOM 512 C GLY A1487 10.833 13.064 25.929 1.00 13.19 C ATOM 513 O GLY A1487 10.115 12.576 25.056 1.00 12.77 O ATOM 514 H GLY A1487 11.550 14.315 28.596 1.00 0.00 H ATOM 515 N PHE A1488 12.095 12.683 26.101 1.00 10.60 N ATOM 516 CA PHE A1488 12.703 11.686 25.218 1.00 10.60 C ATOM 517 C PHE A1488 12.785 10.307 25.859 1.00 14.10 C ATOM 518 O PHE A1488 13.006 10.193 27.067 1.00 12.23 O ATOM 519 CB PHE A1488 14.123 12.128 24.798 1.00 12.21 C ATOM 520 CG PHE A1488 14.120 13.270 23.811 1.00 12.73 C ATOM 521 CD1 PHE A1488 13.921 14.564 24.243 1.00 10.31 C ATOM 522 CD2 PHE A1488 14.254 13.034 22.453 1.00 11.27 C ATOM 523 CE1 PHE A1488 13.873 15.606 23.339 1.00 12.15 C ATOM 524 CE2 PHE A1488 14.239 14.067 21.544 1.00 13.06 C ATOM 525 CZ PHE A1488 14.018 15.363 21.993 1.00 9.82 C ATOM 526 H PHE A1488 12.657 13.098 26.872 1.00 0.00 H ATOM 527 N TYR A1489 12.610 9.266 25.048 1.00 11.85 N ATOM 528 CA TYR A1489 12.842 7.892 25.518 1.00 12.67 C ATOM 529 C TYR A1489 14.208 7.430 25.071 1.00 10.56 C ATOM 530 O TYR A1489 14.629 7.791 23.988 1.00 12.06 O ATOM 531 CB TYR A1489 11.835 6.913 24.942 1.00 10.62 C ATOM 532 CG TYR A1489 10.391 7.136 25.367 1.00 13.11 C ATOM 533 CD1 TYR A1489 9.981 6.860 26.658 1.00 17.67 C ATOM 534 CD2 TYR A1489 9.441 7.571 24.455 1.00 12.60 C ATOM 535 CE1 TYR A1489 8.651 7.036 27.045 1.00 16.46 C ATOM 536 CE2 TYR A1489 8.122 7.757 24.837 1.00 12.40 C ATOM 537 CZ TYR A1489 7.741 7.497 26.133 1.00 15.51 C ATOM 538 OH TYR A1489 6.419 7.663 26.510 1.00 17.62 O ATOM 539 HH TYR A1489 6.319 7.435 27.468 1.00 0.00 H ATOM 540 H TYR A1489 12.305 9.427 24.067 1.00 0.00 H ATOM 541 N MET A1490 14.850 6.564 25.849 1.00 10.50 N ATOM 542 CA MET A1490 15.998 5.814 25.315 1.00 14.54 C ATOM 543 C MET A1490 15.475 4.657 24.471 1.00 12.36 C ATOM 544 O MET A1490 14.748 3.825 24.980 1.00 14.40 O ATOM 545 CB MET A1490 16.881 5.273 26.426 1.00 15.34 C ATOM 546 CG MET A1490 18.002 4.348 25.896 1.00 20.26 C ATOM 547 SD MET A1490 19.140 5.171 24.740 1.00 26.79 S ATOM 548 CE MET A1490 19.740 6.539 25.737 1.00 26.45 C ATOM 549 H MET A1490 14.542 6.417 26.831 1.00 0.00 H ATOM 550 N GLY A1491 15.831 4.616 23.189 1.00 12.43 N ATOM 551 CA GLY A1491 15.297 3.611 22.292 1.00 13.18 C ATOM 552 C GLY A1491 16.361 2.829 21.540 1.00 15.49 C ATOM 553 O GLY A1491 17.518 3.234 21.468 1.00 13.22 O ATOM 554 H GLY A1491 16.505 5.319 22.824 1.00 0.00 H ATOM 555 N GLU A1492 15.939 1.708 20.971 1.00 12.31 N ATOM 556 CA GLU A1492 16.785 0.893 20.091 1.00 10.09 C ATOM 557 C GLU A1492 16.062 0.655 18.793 1.00 13.50 C ATOM 558 O GLU A1492 14.839 0.440 18.792 1.00 12.17 O ATOM 559 CB GLU A1492 17.117 -0.449 20.734 1.00 12.97 C ATOM 560 CG GLU A1492 18.122 -1.295 19.944 1.00 14.79 C ATOM 561 CD GLU A1492 17.508 -2.144 18.841 1.00 22.07 C ATOM 562 OE1 GLU A1492 16.255 -2.298 18.793 1.00 17.13 O ATOM 563 OE2 GLU A1492 18.294 -2.675 18.022 1.00 21.17 O ATOM 564 H GLU A1492 14.966 1.392 21.156 1.00 0.00 H ATOM 565 N LEU A1493 16.802 0.678 17.693 1.00 11.84 N ATOM 566 CA LEU A1493 16.210 0.377 16.392 1.00 12.95 C ATOM 567 C LEU A1493 17.287 -0.115 15.442 1.00 18.05 C ATOM 568 O LEU A1493 18.257 0.585 15.179 1.00 18.25 O ATOM 569 CB LEU A1493 15.495 1.610 15.813 1.00 14.85 C ATOM 570 CG LEU A1493 15.028 1.499 14.357 1.00 13.78 C ATOM 571 CD1 LEU A1493 13.975 0.387 14.171 1.00 13.89 C ATOM 572 CD2 LEU A1493 14.468 2.851 13.845 1.00 11.03 C ATOM 573 H LEU A1493 17.813 0.912 17.757 1.00 0.00 H ATOM 574 N ASP A1494 17.105 -1.332 14.950 1.00 16.70 N ATOM 575 CA ASP A1494 18.041 -1.959 14.006 1.00 23.74 C ATOM 576 C ASP A1494 19.519 -1.805 14.403 1.00 20.35 C ATOM 577 O ASP A1494 20.359 -1.408 13.588 1.00 29.38 O ATOM 578 CB ASP A1494 17.826 -1.406 12.595 1.00 27.95 C ATOM 579 CG ASP A1494 16.490 -1.851 11.988 1.00 33.21 C ATOM 580 OD1 ASP A1494 16.080 -3.017 12.217 1.00 33.17 O ATOM 581 OD2 ASP A1494 15.861 -1.042 11.279 1.00 40.55 O ATOM 582 H ASP A1494 16.263 -1.867 15.245 1.00 0.00 H ATOM 583 N GLY A1495 19.832 -2.119 15.652 1.00 17.27 N ATOM 584 CA GLY A1495 21.216 -2.169 16.088 1.00 22.98 C ATOM 585 C GLY A1495 21.784 -0.854 16.590 1.00 27.86 C ATOM 586 O GLY A1495 22.910 -0.811 17.069 1.00 27.67 O ATOM 587 H GLY A1495 19.074 -2.333 16.331 1.00 0.00 H ATOM 588 N VAL A1496 21.006 0.217 16.477 1.00 14.52 N ATOM 589 CA VAL A1496 21.417 1.553 16.930 1.00 21.54 C ATOM 590 C VAL A1496 20.567 1.991 18.125 1.00 20.84 C ATOM 591 O VAL A1496 19.365 1.752 18.133 1.00 14.83 O ATOM 592 CB VAL A1496 21.267 2.593 15.810 1.00 22.02 C ATOM 593 CG1 VAL A1496 21.925 3.899 16.201 1.00 24.55 C ATOM 594 CG2 VAL A1496 21.845 2.075 14.499 1.00 33.28 C ATOM 595 H VAL A1496 20.065 0.105 16.049 1.00 0.00 H ATOM 596 N ARG A1497 21.193 2.602 19.131 1.00 18.34 N ATOM 597 CA ARG A1497 20.490 3.113 20.305 1.00 17.70 C ATOM 598 C ARG A1497 20.591 4.633 20.393 1.00 19.73 C ATOM 599 O ARG A1497 21.609 5.210 20.027 1.00 17.81 O ATOM 600 CB ARG A1497 21.046 2.472 21.574 1.00 26.06 C ATOM 601 CG ARG A1497 20.806 0.989 21.591 1.00 30.33 C ATOM 602 CD ARG A1497 21.468 0.286 22.740 1.00 37.53 C ATOM 603 NE ARG A1497 21.440 -1.152 22.487 1.00 44.55 N ATOM 604 CZ ARG A1497 20.478 -1.969 22.906 1.00 47.05 C ATOM 605 NH1 ARG A1497 19.457 -1.500 23.618 1.00 34.52 N ATOM 606 NH2 ARG A1497 20.540 -3.258 22.614 1.00 43.61 N ATOM 607 HE ARG A1497 22.225 -1.565 21.943 1.00 0.00 H ATOM 608 HH12 ARG A1497 18.709 -2.146 23.942 1.00 0.00 H ATOM 609 HH11 ARG A1497 19.407 -0.488 23.851 1.00 0.00 H ATOM 610 HH22 ARG A1497 19.790 -3.901 22.939 1.00 0.00 H ATOM 611 HH21 ARG A1497 21.338 -3.628 22.059 1.00 0.00 H ATOM 612 H ARG A1497 22.225 2.720 19.078 1.00 0.00 H ATOM 613 N GLY A1498 19.529 5.284 20.852 1.00 11.87 N ATOM 614 CA GLY A1498 19.571 6.725 21.025 1.00 11.21 C ATOM 615 C GLY A1498 18.252 7.252 21.516 1.00 12.13 C ATOM 616 O GLY A1498 17.259 6.519 21.557 1.00 12.35 O ATOM 617 H GLY A1498 18.663 4.759 21.089 1.00 0.00 H ATOM 618 N LEU A1499 18.226 8.545 21.835 1.00 11.09 N ATOM 619 CA LEU A1499 17.023 9.174 22.337 1.00 9.60 C ATOM 620 C LEU A1499 16.026 9.430 21.203 1.00 10.03 C ATOM 621 O LEU A1499 16.401 9.825 20.100 1.00 13.31 O ATOM 622 CB LEU A1499 17.374 10.488 23.048 1.00 13.56 C ATOM 623 CG LEU A1499 18.266 10.356 24.289 1.00 17.63 C ATOM 624 CD1 LEU A1499 18.651 11.738 24.815 1.00 16.38 C ATOM 625 CD2 LEU A1499 17.594 9.546 25.386 1.00 17.27 C ATOM 626 H LEU A1499 19.089 9.115 21.721 1.00 0.00 H ATOM 627 N VAL A1500 14.749 9.212 21.506 1.00 11.22 N ATOM 628 CA VAL A1500 13.664 9.435 20.548 1.00 10.05 C ATOM 629 C VAL A1500 12.582 10.337 21.157 1.00 11.75 C ATOM 630 O VAL A1500 12.245 10.214 22.333 1.00 11.31 O ATOM 631 CB VAL A1500 13.047 8.095 20.088 1.00 18.26 C ATOM 632 CG1 VAL A1500 14.101 7.227 19.445 1.00 13.90 C ATOM 633 CG2 VAL A1500 12.441 7.366 21.250 1.00 17.70 C ATOM 634 H VAL A1500 14.512 8.870 22.459 1.00 0.00 H ATOM 635 N PRO A1501 12.061 11.279 20.362 1.00 13.09 N ATOM 636 CA PRO A1501 11.032 12.204 20.864 1.00 10.53 C ATOM 637 C PRO A1501 9.679 11.510 21.064 1.00 11.38 C ATOM 638 O PRO A1501 9.134 10.949 20.123 1.00 12.72 O ATOM 639 CB PRO A1501 10.928 13.263 19.754 1.00 12.75 C ATOM 640 CG PRO A1501 11.315 12.567 18.517 1.00 13.49 C ATOM 641 CD PRO A1501 12.353 11.487 18.932 1.00 14.93 C ATOM 642 N SER A1502 9.157 11.559 22.282 1.00 9.73 N ATOM 643 CA SER A1502 7.933 10.833 22.616 1.00 12.79 C ATOM 644 C SER A1502 6.759 11.247 21.736 1.00 12.67 C ATOM 645 O SER A1502 5.868 10.447 21.471 1.00 10.23 O ATOM 646 CB SER A1502 7.590 11.049 24.087 1.00 12.55 C ATOM 647 OG SER A1502 7.413 12.439 24.367 1.00 11.55 O ATOM 648 HG SER A1502 6.676 12.795 23.811 1.00 0.00 H ATOM 649 H SER A1502 9.629 12.126 23.015 1.00 0.00 H ATOM 650 N ASN A1503 6.765 12.493 21.260 1.00 10.56 N ATOM 651 CA ASN A1503 5.619 13.007 20.548 1.00 12.78 C ATOM 652 C ASN A1503 5.570 12.554 19.094 1.00 10.73 C ATOM 653 O ASN A1503 4.626 12.873 18.403 1.00 10.97 O ATOM 654 CB ASN A1503 5.526 14.544 20.668 1.00 12.54 C ATOM 655 CG ASN A1503 6.767 15.277 20.194 1.00 12.61 C ATOM 656 OD1 ASN A1503 7.862 14.727 20.153 1.00 12.54 O ATOM 657 ND2 ASN A1503 6.593 16.561 19.846 1.00 11.60 N ATOM 658 HD22 ASN A1503 5.647 16.989 19.895 1.00 0.00 H ATOM 659 HD21 ASN A1503 7.404 17.128 19.527 1.00 0.00 H ATOM 660 H ASN A1503 7.599 13.097 21.402 1.00 0.00 H ATOM 661 N PHE A1504 6.549 11.755 18.653 1.00 9.90 N ATOM 662 CA PHE A1504 6.519 11.203 17.309 1.00 9.46 C ATOM 663 C PHE A1504 6.030 9.748 17.304 1.00 8.66 C ATOM 664 O PHE A1504 5.914 9.139 16.248 1.00 10.20 O ATOM 665 CB PHE A1504 7.907 11.281 16.652 1.00 9.34 C ATOM 666 CG PHE A1504 8.181 12.602 15.981 1.00 8.84 C ATOM 667 CD1 PHE A1504 8.205 13.764 16.723 1.00 11.40 C ATOM 668 CD2 PHE A1504 8.445 12.661 14.621 1.00 10.65 C ATOM 669 CE1 PHE A1504 8.441 14.997 16.115 1.00 9.64 C ATOM 670 CE2 PHE A1504 8.700 13.883 14.003 1.00 13.36 C ATOM 671 CZ PHE A1504 8.690 15.052 14.753 1.00 13.99 C ATOM 672 H PHE A1504 7.344 11.525 19.283 1.00 0.00 H ATOM 673 N LEU A1505 5.775 9.211 18.494 1.00 11.19 N ATOM 674 CA LEU A1505 5.424 7.795 18.670 1.00 8.07 C ATOM 675 C LEU A1505 3.978 7.645 19.076 1.00 10.81 C ATOM 676 O LEU A1505 3.384 8.587 19.588 1.00 10.36 O ATOM 677 CB LEU A1505 6.306 7.157 19.746 1.00 8.91 C ATOM 678 CG LEU A1505 7.796 7.411 19.516 1.00 8.39 C ATOM 679 CD1 LEU A1505 8.594 6.802 20.669 1.00 10.74 C ATOM 680 CD2 LEU A1505 8.283 6.853 18.172 1.00 10.58 C ATOM 681 H LEU A1505 5.826 9.819 19.336 1.00 0.00 H ATOM 682 N ALA A1506 3.427 6.446 18.883 1.00 11.91 N ATOM 683 CA ALA A1506 2.035 6.195 19.238 1.00 11.09 C ATOM 684 C ALA A1506 1.897 5.882 20.719 1.00 12.88 C ATOM 685 O ALA A1506 2.336 4.835 21.174 1.00 17.27 O ATOM 686 CB ALA A1506 1.479 5.052 18.408 1.00 13.67 C ATOM 687 H ALA A1506 3.998 5.679 18.474 1.00 0.00 H ATOM 688 N ASP A1507 1.282 6.781 21.476 1.00 15.24 N ATOM 689 CA ASP A1507 0.942 6.433 22.841 1.00 17.31 C ATOM 690 C ASP A1507 -0.554 6.176 22.919 1.00 19.58 C ATOM 691 O ASP A1507 -0.995 5.471 23.834 1.00 14.35 O ATOM 692 CB ASP A1507 1.371 7.521 23.829 1.00 21.58 C ATOM 693 CG ASP A1507 0.629 8.837 23.627 1.00 24.60 C ATOM 694 OD1 ASP A1507 0.175 9.097 22.496 1.00 20.55 O ATOM 695 OD2 ASP A1507 0.520 9.613 24.607 1.00 23.04 O ATOM 696 OXT ASP A1507 -1.305 6.648 22.053 1.00 14.48 O ATOM 697 H ASP A1507 1.048 7.720 21.096 1.00 0.00 H TER 698 ASP A1507 HETATM 699 O HOH 1 12.415 16.963 6.880 1.00 39.43 O HETATM 700 O HOH 2 8.679 0.714 31.070 1.00 28.64 O HETATM 701 O HOH 3 20.350 12.087 10.335 1.00 31.03 O HETATM 702 O HOH 4 17.138 -5.161 12.312 1.00 40.67 O HETATM 703 O HOH 5 15.922 18.980 31.324 1.00 38.45 O HETATM 704 O HOH 6 4.655 8.880 25.281 1.00 24.43 O HETATM 705 O HOH 7 16.328 -5.292 24.615 1.00 35.67 O HETATM 706 O HOH 8 -0.650 9.106 26.755 1.00 30.52 O HETATM 707 O HOH 9 0.966 -1.905 45.384 1.00 30.41 O HETATM 708 O HOH 10 15.130 4.118 9.748 1.00 21.25 O HETATM 709 O HOH 11 18.354 21.156 9.033 1.00 26.32 O HETATM 710 O HOH 12 8.270 -1.390 10.582 1.00 20.40 O HETATM 711 O HOH 13 14.576 -3.658 10.114 1.00 31.48 O HETATM 712 O HOH 14 1.664 -8.185 46.337 1.00 34.87 O HETATM 713 O HOH 15 7.832 7.349 5.867 1.00 28.97 O HETATM 714 O HOH 16 10.871 8.529 35.753 1.00 41.92 O HETATM 715 O HOH 17 9.310 2.116 33.037 1.00 38.12 O HETATM 716 O HOH 18 13.388 5.900 28.155 1.00 19.30 O HETATM 717 O HOH 19 4.294 8.664 22.713 1.00 33.53 O HETATM 718 O HOH 20 18.173 11.822 29.071 1.00 27.87 O HETATM 719 O HOH 21 10.905 20.067 13.966 1.00 14.76 O HETATM 720 O HOH 22 22.264 18.262 26.344 1.00 11.81 O HETATM 721 O HOH 23 5.546 7.477 29.076 1.00 19.53 O HETATM 722 O HOH 24 7.200 5.859 32.753 1.00 36.47 O HETATM 723 O HOH 25 -2.372 5.494 19.831 1.00 13.84 O HETATM 724 O HOH 26 18.412 -4.759 16.262 1.00 28.40 O HETATM 725 O HOH 27 22.110 8.568 22.786 1.00 16.15 O HETATM 726 O HOH 28 18.497 5.004 13.234 1.00 33.24 O HETATM 727 O HOH 29 4.967 13.683 24.440 1.00 24.12 O HETATM 728 O HOH 30 3.161 2.400 20.205 1.00 17.23 O HETATM 729 O HOH 31 23.647 7.031 20.409 1.00 36.03 O HETATM 730 O HOH 32 10.513 19.209 25.909 1.00 18.12 O HETATM 731 O HOH 33 10.338 -2.056 13.266 1.00 25.90 O HETATM 732 O HOH 34 21.653 11.256 15.007 1.00 22.07 O HETATM 733 O HOH 35 0.144 3.429 25.348 1.00 16.14 O HETATM 734 O HOH 36 3.282 10.091 9.030 1.00 12.85 O HETATM 735 O HOH 37 0.568 12.413 24.700 1.00 36.64 O HETATM 736 O HOH 38 13.666 5.173 33.372 1.00 36.68 O HETATM 737 O HOH 39 20.033 21.317 23.130 1.00 12.35 O HETATM 738 O HOH 40 8.062 14.163 9.916 1.00 17.38 O HETATM 739 O HOH 41 25.459 18.355 17.136 1.00 12.99 O HETATM 740 O HOH 42 7.685 4.566 6.202 1.00 30.29 O HETATM 741 O HOH 43 18.552 2.413 13.013 1.00 27.35 O HETATM 742 O HOH 44 26.252 8.274 20.051 1.00 23.51 O HETATM 743 O HOH 45 20.906 -3.065 19.119 1.00 31.04 O HETATM 744 O HOH 46 1.657 -6.105 43.882 1.00 33.92 O HETATM 745 O HOH 47 23.988 2.921 18.559 1.00 24.50 O HETATM 746 O HOH 48 7.622 7.593 31.027 1.00 19.63 O HETATM 747 O HOH 49 9.773 1.418 28.603 1.00 19.93 O HETATM 748 O HOH 50 20.041 6.910 13.985 1.00 24.69 O HETATM 749 O HOH 51 12.651 -1.512 11.030 1.00 31.70 O HETATM 750 O HOH 52 14.212 9.398 9.044 1.00 25.09 O HETATM 751 O HOH 53 6.205 11.519 8.359 1.00 22.83 O HETATM 752 O HOH 54 0.000 0.000 46.607 1.00 30.40 O HETATM 753 O HOH 55 12.587 13.886 9.071 1.00 23.64 O HETATM 754 O HOH 56 15.608 13.070 33.111 1.00 33.64 O HETATM 755 O HOH 57 5.810 -0.678 41.951 1.00 32.95 O HETATM 756 O HOH 58 15.021 -0.924 30.642 1.00 26.19 O HETATM 757 O HOH 59 22.533 8.540 18.526 1.00 25.40 O HETATM 758 O HOH 60 9.751 13.016 5.916 1.00 35.37 O HETATM 759 O HOH 61 12.245 20.120 30.374 1.00 37.66 O HETATM 760 O HOH 62 3.684 0.844 42.377 1.00 37.87 O HETATM 761 O HOH 63 13.280 11.721 7.727 1.00 27.09 O HETATM 762 O HOH 64 9.560 -5.893 29.765 1.00 33.03 O HETATM 763 O HOH 65 21.471 12.905 12.486 1.00 37.80 O HETATM 764 O HOH 66 0.782 -1.157 42.574 1.00 46.08 O HETATM 765 O HOH 67 9.978 14.557 8.125 1.00 25.03 O HETATM 766 O HOH 68 27.651 13.052 15.133 1.00 35.73 O HETATM 767 O HOH 69 26.088 7.522 17.483 1.00 37.22 O HETATM 768 O HOH 70 2.565 12.460 22.751 1.00 37.32 O HETATM 769 O HOH 71 19.774 15.436 30.140 1.00 37.86 O HETATM 770 O HOH 72 6.011 13.867 8.692 1.00 30.01 O HETATM 771 O HOH 73 7.279 16.457 28.591 1.00 38.17 O HETATM 772 O HOH 74 9.619 17.053 7.202 1.00 36.66 O HETATM 773 O HOH 75 16.083 -6.077 27.490 1.00 30.25 O HETATM 774 O HOH 76 7.381 16.949 11.121 1.00 31.39 O HETATM 775 O HOH 77 17.102 -4.020 29.240 1.00 33.05 O HETATM 776 O HOH 78 8.012 18.589 8.971 1.00 37.22 O HETATM 777 O HOH 79 3.811 6.030 5.562 1.00 30.94 O HETATM 778 O HOH 80 9.576 21.937 22.317 1.00 21.82 O HETATM 779 O HOH 81 21.153 29.577 29.673 1.00 28.62 O HETATM 780 O HOH 82 8.540 18.433 14.091 1.00 20.39 O HETATM 781 O HOH 83 16.639 14.923 26.682 1.00 17.31 O HETATM 782 O HOH 84 -4.233 18.190 10.579 1.00 31.90 O HETATM 783 O HOH 85 -1.460 12.850 6.359 1.00 24.76 O HETATM 784 O HOH 86 18.090 19.201 28.941 1.00 19.65 O HETATM 785 O HOH 87 -0.669 6.397 3.602 1.00 34.86 O HETATM 786 O HOH 88 2.673 17.589 10.517 1.00 23.10 O HETATM 787 O HOH 89 0.344 2.454 6.034 1.00 19.85 O HETATM 788 O HOH 90 6.578 19.879 21.193 1.00 28.20 O HETATM 789 O HOH 91 1.985 12.694 8.482 1.00 18.23 O HETATM 790 O HOH 92 21.573 20.733 25.344 1.00 14.83 O HETATM 791 O HOH 93 5.234 9.799 6.424 1.00 34.83 O HETATM 792 O HOH 94 16.837 22.819 22.691 1.00 19.09 O HETATM 793 O HOH 95 12.357 20.583 27.947 1.00 30.21 O HETATM 794 O HOH 96 4.465 21.314 19.521 1.00 24.10 O HETATM 795 O HOH 97 15.407 22.163 28.969 1.00 29.85 O HETATM 796 O HOH 98 2.852 3.550 6.134 1.00 31.16 O HETATM 797 O HOH 99 18.310 25.252 30.653 1.00 43.09 O HETATM 798 O HOH 100 15.170 24.508 26.352 1.00 36.78 O HETATM 799 O HOH 101 5.319 18.754 23.161 1.00 32.43 O HETATM 800 O HOH 102 21.909 21.141 31.051 1.00 33.46 O HETATM 801 O HOH 103 -5.512 9.438 8.402 1.00 19.21 O HETATM 802 O HOH 104 3.238 19.280 9.124 1.00 44.77 O HETATM 803 O HOH 105 0.370 13.461 4.783 1.00 39.76 O HETATM 804 O HOH 106 3.662 15.083 9.102 1.00 28.10 O HETATM 805 O HOH 107 4.637 12.195 4.816 1.00 39.82 O HETATM 806 O HOH 108 2.696 13.375 5.745 1.00 32.06 O HETATM 807 O HOH 109 -6.006 17.121 8.440 1.00 28.66 O HETATM 808 O HOH 110 0.000 0.000 4.761 1.00 22.30 O HETATM 809 C ACE A 111 22.199 26.411 28.838 1.00 0.18 C HETATM 810 O ACE A 111 21.348 27.266 28.620 1.00 -0.40 O HETATM 811 CH3 ACE A 111 23.258 26.589 29.881 1.00 0.03 C HETATM 812 H1 ACE A 111 23.907 25.701 29.900 1.00 0.05 H HETATM 813 H2 ACE A 111 22.785 26.719 30.866 1.00 0.05 H HETATM 814 H3 ACE A 111 23.861 27.478 29.644 1.00 0.05 H HETATM 815 N ACE A 111 22.383 25.362 28.047 1.00 -0.27 N HETATM 816 CA ACE A 111 21.480 24.980 26.964 1.00 0.13 C HETATM 817 C ACE A 111 20.768 23.674 27.303 1.00 0.20 C HETATM 818 O ACE A 111 21.424 22.663 27.517 1.00 -0.39 O HETATM 819 N ACE A 111 19.440 23.700 27.353 1.00 -0.27 N HETATM 820 CA ACE A 111 18.678 22.488 27.638 1.00 0.12 C HETATM 821 C ACE A 111 18.156 21.844 26.374 1.00 0.20 C HETATM 822 O ACE A 111 18.215 22.444 25.295 1.00 -0.39 O HETATM 823 N ACE A 111 17.678 20.603 26.503 1.00 -0.26 N HETATM 824 CA ACE A 111 17.058 19.892 25.399 1.00 0.13 C HETATM 825 C ACE A 111 15.549 20.048 25.478 1.00 0.20 C HETATM 826 O ACE A 111 14.985 20.200 26.561 1.00 -0.39 O HETATM 827 N ACE A 111 14.912 20.009 24.328 1.00 -0.26 N HETATM 828 CA ACE A 111 13.458 20.035 24.282 1.00 0.13 C HETATM 829 C ACE A 111 12.920 19.186 23.150 1.00 0.20 C HETATM 830 O ACE A 111 13.638 18.782 22.256 1.00 -0.39 O HETATM 831 N ACE A 111 11.620 18.913 23.176 1.00 -0.26 N HETATM 832 CA ACE A 111 11.016 18.172 22.086 1.00 0.13 C HETATM 833 C ACE A 111 10.925 18.985 20.805 1.00 0.21 C HETATM 834 O ACE A 111 10.727 20.201 20.852 1.00 -0.39 O HETATM 835 N ACE A 111 11.003 18.318 19.651 1.00 -0.25 N HETATM 836 CA ACE A 111 10.605 19.023 18.424 1.00 0.13 C HETATM 837 C ACE A 111 9.124 19.346 18.432 1.00 0.21 C HETATM 838 O ACE A 111 8.397 18.766 19.227 1.00 -0.39 O HETATM 839 N ACE A 111 8.684 20.305 17.602 1.00 -0.25 N HETATM 840 CA ACE A 111 7.237 20.523 17.470 1.00 0.13 C HETATM 841 C ACE A 111 6.512 19.248 17.045 1.00 0.20 C HETATM 842 O ACE A 111 7.007 18.467 16.241 1.00 -0.39 O HETATM 843 N ACE A 111 5.338 19.049 17.626 1.00 -0.26 N HETATM 844 CA ACE A 111 4.525 17.868 17.359 1.00 0.16 C HETATM 845 C ACE A 111 3.931 17.959 15.966 1.00 0.21 C HETATM 846 O ACE A 111 3.383 18.999 15.592 1.00 -0.39 O HETATM 847 N ACE A 111 4.028 16.877 15.184 1.00 -0.25 N HETATM 848 CA ACE A 111 3.394 16.910 13.868 1.00 0.13 C HETATM 849 C ACE A 111 1.896 17.152 14.007 1.00 0.20 C HETATM 850 O ACE A 111 1.281 16.727 14.985 1.00 -0.39 O HETATM 851 N ACE A 111 1.331 17.873 13.056 1.00 -0.26 N HETATM 852 CA ACE A 111 -0.096 18.212 13.138 1.00 0.15 C HETATM 853 C ACE A 111 -0.945 17.475 12.091 1.00 0.21 C HETATM 854 O ACE A 111 -2.184 17.400 12.224 1.00 -0.39 O HETATM 855 N ACE A 111 -0.302 16.947 11.051 1.00 -0.26 N HETATM 856 CA ACE A 111 -1.012 16.177 10.027 1.00 0.13 C HETATM 857 C ACE A 111 -1.274 14.764 10.521 1.00 0.21 C HETATM 858 O ACE A 111 -0.448 14.222 11.255 1.00 -0.39 O HETATM 859 N ACE A 111 -2.388 14.147 10.086 1.00 -0.25 N HETATM 860 CA ACE A 111 -2.624 12.733 10.421 1.00 0.13 C HETATM 861 C ACE A 111 -1.447 11.848 9.978 1.00 0.20 C HETATM 862 O ACE A 111 -0.818 12.095 8.945 1.00 -0.39 O HETATM 863 N ACE A 111 -1.158 10.823 10.764 1.00 -0.26 N HETATM 864 CA ACE A 111 -0.073 9.906 10.409 1.00 0.15 C HETATM 865 C ACE A 111 -0.338 9.173 9.096 1.00 0.21 C HETATM 866 O ACE A 111 -1.445 8.702 8.870 1.00 -0.39 O HETATM 867 N ACE A 111 0.685 9.013 8.257 1.00 -0.26 N HETATM 868 CA ACE A 111 0.493 8.278 7.019 1.00 0.16 C HETATM 869 C ACE A 111 0.418 6.763 7.259 1.00 0.21 C HETATM 870 O ACE A 111 0.115 6.004 6.340 1.00 -0.39 O HETATM 871 N ACE A 111 0.669 6.325 8.494 1.00 -0.26 N HETATM 872 CA ACE A 111 0.522 4.908 8.830 1.00 0.13 C HETATM 873 C ACE A 111 -0.928 4.456 8.734 1.00 0.20 C HETATM 874 O ACE A 111 -1.212 3.326 8.320 1.00 -0.39 O HETATM 875 N ACE A 111 -1.837 5.336 9.144 1.00 -0.30 N HETATM 876 H131 ACE A 111 -2.809 5.104 9.108 1.00 0.18 H HETATM 877 H132 ACE A 111 -1.548 6.230 9.488 1.00 0.18 H HETATM 878 CB ACE A 111 1.026 4.630 10.235 1.00 -0.01 C HETATM 879 CG ACE A 111 1.074 3.137 10.607 1.00 -0.04 C HETATM 880 CD1 ACE A 111 2.065 2.402 9.715 1.00 -0.06 C HETATM 881 H125 ACE A 111 2.088 1.338 9.992 1.00 0.02 H HETATM 882 H126 ACE A 111 3.067 2.837 9.844 1.00 0.02 H HETATM 883 H127 ACE A 111 1.755 2.500 8.664 1.00 0.02 H HETATM 884 CD2 ACE A 111 1.451 3.022 12.054 1.00 -0.06 C HETATM 885 H128 ACE A 111 0.716 3.563 12.668 1.00 0.02 H HETATM 886 H129 ACE A 111 2.449 3.457 12.209 1.00 0.02 H HETATM 887 H130 ACE A 111 1.464 1.962 12.346 1.00 0.02 H HETATM 888 H124 ACE A 111 0.077 2.696 10.461 1.00 0.03 H HETATM 889 H122 ACE A 111 0.361 5.141 10.947 1.00 0.03 H HETATM 890 H123 ACE A 111 2.043 5.040 10.324 1.00 0.03 H HETATM 891 H121 ACE A 111 1.121 4.322 8.117 1.00 0.08 H HETATM 892 H120 ACE A 111 0.961 6.972 9.198 1.00 0.19 H HETATM 893 CB ACE A 111 1.610 8.572 6.006 1.00 0.09 C HETATM 894 OG1 ACE A 111 2.848 8.106 6.542 1.00 -0.39 O HETATM 895 H116 ACE A 111 2.792 7.171 6.699 1.00 0.21 H HETATM 896 CG2 ACE A 111 1.709 10.065 5.713 1.00 -0.03 C HETATM 897 H117 ACE A 111 2.515 10.243 4.986 1.00 0.03 H HETATM 898 H118 ACE A 111 1.928 10.608 6.644 1.00 0.03 H HETATM 899 H119 ACE A 111 0.755 10.421 5.297 1.00 0.03 H HETATM 900 H115 ACE A 111 1.394 8.039 5.068 1.00 0.06 H HETATM 901 H114 ACE A 111 -0.462 8.604 6.582 1.00 0.08 H HETATM 902 H113 ACE A 111 1.581 9.397 8.479 1.00 0.19 H HETATM 903 CB ACE A 111 0.116 8.882 11.522 1.00 0.08 C HETATM 904 OG ACE A 111 1.046 7.903 11.118 1.00 -0.39 O HETATM 905 H112 ACE A 111 1.879 8.318 10.928 1.00 0.21 H HETATM 906 H110 ACE A 111 -0.848 8.401 11.743 1.00 0.06 H HETATM 907 H111 ACE A 111 0.488 9.389 12.425 1.00 0.06 H HETATM 908 H109 ACE A 111 0.852 10.491 10.300 1.00 0.08 H HETATM 909 H108 ACE A 111 -1.682 10.674 11.603 1.00 0.19 H HETATM 910 CB ACE A 111 -3.894 12.392 9.634 1.00 -0.01 C HETATM 911 CG ACE A 111 -4.608 13.719 9.478 1.00 -0.03 C HETATM 912 CD ACE A 111 -3.506 14.721 9.309 1.00 0.04 C HETATM 913 H106 ACE A 111 -3.233 14.828 8.249 1.00 0.05 H HETATM 914 H107 ACE A 111 -3.802 15.701 9.712 1.00 0.05 H HETATM 915 H104 ACE A 111 -5.206 13.946 10.373 1.00 0.03 H HETATM 916 H105 ACE A 111 -5.262 13.707 8.593 1.00 0.03 H HETATM 917 H102 ACE A 111 -4.518 11.678 10.192 1.00 0.03 H HETATM 918 H103 ACE A 111 -3.641 11.968 8.651 1.00 0.03 H HETATM 919 H101 ACE A 111 -2.786 12.609 11.502 1.00 0.08 H HETATM 920 CB ACE A 111 -0.200 16.097 8.727 1.00 -0.01 C HETATM 921 CG ACE A 111 0.082 17.418 8.038 1.00 -0.04 C HETATM 922 CD ACE A 111 0.671 17.185 6.651 1.00 -0.01 C HETATM 923 CE ACE A 111 1.184 18.476 6.023 1.00 -0.04 C HETATM 924 NZ ACE A 111 1.716 18.254 4.642 1.00 0.22 N HETATM 925 H98 ACE A 111 2.044 19.129 4.264 1.00 0.20 H HETATM 926 H99 ACE A 111 0.983 17.887 4.055 1.00 0.20 H HETATM 927 H100 ACE A 111 2.479 17.596 4.678 1.00 0.20 H HETATM 928 H96 ACE A 111 1.989 18.882 6.653 1.00 0.08 H HETATM 929 H97 ACE A 111 0.357 19.200 5.973 1.00 0.08 H HETATM 930 H94 ACE A 111 -0.108 16.759 6.001 1.00 0.03 H HETATM 931 H95 ACE A 111 1.507 16.475 6.735 1.00 0.03 H HETATM 932 H92 ACE A 111 0.797 17.995 8.642 1.00 0.03 H HETATM 933 H93 ACE A 111 -0.857 17.983 7.942 1.00 0.03 H HETATM 934 H90 ACE A 111 -0.755 15.461 8.022 1.00 0.03 H HETATM 935 H91 ACE A 111 0.766 15.627 8.962 1.00 0.03 H HETATM 936 H89 ACE A 111 -1.972 16.671 9.819 1.00 0.08 H HETATM 937 H88 ACE A 111 0.686 17.079 10.967 1.00 0.19 H HETATM 938 CB ACE A 111 -0.271 19.724 12.989 1.00 0.08 C HETATM 939 OG ACE A 111 0.063 20.120 11.683 1.00 -0.39 O HETATM 940 H87 ACE A 111 -0.049 21.060 11.600 1.00 0.21 H HETATM 941 H85 ACE A 111 0.386 20.239 13.705 1.00 0.06 H HETATM 942 H86 ACE A 111 -1.318 19.991 13.194 1.00 0.06 H HETATM 943 H84 ACE A 111 -0.458 17.916 14.134 1.00 0.08 H HETATM 944 H83 ACE A 111 1.875 18.189 12.279 1.00 0.19 H HETATM 945 CB ACE A 111 3.697 15.521 13.294 1.00 -0.01 C HETATM 946 CG ACE A 111 4.994 15.153 13.974 1.00 -0.03 C HETATM 947 CD ACE A 111 4.788 15.628 15.387 1.00 0.04 C HETATM 948 H81 ACE A 111 4.209 14.899 15.973 1.00 0.05 H HETATM 949 H82 ACE A 111 5.748 15.821 15.887 1.00 0.05 H HETATM 950 H79 ACE A 111 5.845 15.668 13.505 1.00 0.03 H HETATM 951 H80 ACE A 111 5.161 14.066 13.944 1.00 0.03 H HETATM 952 H77 ACE A 111 3.820 15.562 12.202 1.00 0.03 H HETATM 953 H78 ACE A 111 2.901 14.806 13.547 1.00 0.03 H HETATM 954 H76 ACE A 111 3.834 17.697 13.237 1.00 0.08 H HETATM 955 CB ACE A 111 3.405 17.749 18.384 1.00 0.09 C HETATM 956 OG1 ACE A 111 3.960 17.753 19.702 1.00 -0.39 O HETATM 957 H72 ACE A 111 3.260 17.679 20.340 1.00 0.21 H HETATM 958 CG2 ACE A 111 2.582 16.478 18.155 1.00 -0.03 C HETATM 959 H73 ACE A 111 1.782 16.418 18.908 1.00 0.03 H HETATM 960 H74 ACE A 111 3.235 15.597 18.243 1.00 0.03 H HETATM 961 H75 ACE A 111 2.137 16.505 17.149 1.00 0.03 H HETATM 962 H71 ACE A 111 2.739 18.618 18.279 1.00 0.06 H HETATM 963 H70 ACE A 111 5.163 16.974 17.421 1.00 0.08 H HETATM 964 H69 ACE A 111 4.997 19.733 18.271 1.00 0.19 H HETATM 965 CB ACE A 111 7.110 21.610 16.389 1.00 -0.01 C HETATM 966 CG ACE A 111 8.450 21.837 15.850 1.00 -0.03 C HETATM 967 CD ACE A 111 9.479 21.203 16.762 1.00 0.04 C HETATM 968 H67 ACE A 111 10.225 20.641 16.182 1.00 0.05 H HETATM 969 H68 ACE A 111 9.987 21.965 17.372 1.00 0.05 H HETATM 970 H65 ACE A 111 8.639 22.919 15.781 1.00 0.03 H HETATM 971 H66 ACE A 111 8.523 21.388 14.848 1.00 0.03 H HETATM 972 H63 ACE A 111 6.719 22.538 16.831 1.00 0.03 H HETATM 973 H64 ACE A 111 6.434 21.271 15.590 1.00 0.03 H HETATM 974 H62 ACE A 111 6.815 20.876 18.423 1.00 0.08 H HETATM 975 CB ACE A 111 10.952 18.030 17.319 1.00 -0.01 C HETATM 976 CG ACE A 111 10.911 16.696 17.989 1.00 -0.03 C HETATM 977 CD ACE A 111 11.294 16.890 19.419 1.00 0.04 C HETATM 978 H60 ACE A 111 10.690 16.251 20.080 1.00 0.05 H HETATM 979 H61 ACE A 111 12.361 16.674 19.575 1.00 0.05 H HETATM 980 H58 ACE A 111 11.620 16.011 17.502 1.00 0.03 H HETATM 981 H59 ACE A 111 9.896 16.278 17.927 1.00 0.03 H HETATM 982 H56 ACE A 111 11.955 18.232 16.916 1.00 0.03 H HETATM 983 H57 ACE A 111 10.213 18.079 16.506 1.00 0.03 H HETATM 984 H55 ACE A 111 11.178 19.954 18.305 1.00 0.08 H HETATM 985 CB ACE A 111 9.606 17.721 22.495 1.00 -0.01 C HETATM 986 CG ACE A 111 9.553 16.542 23.471 1.00 -0.04 C HETATM 987 CD1 ACE A 111 8.116 16.327 23.939 1.00 -0.06 C HETATM 988 H49 ACE A 111 8.082 15.480 24.640 1.00 0.02 H HETATM 989 H50 ACE A 111 7.476 16.111 23.071 1.00 0.02 H HETATM 990 H51 ACE A 111 7.755 17.235 24.444 1.00 0.02 H HETATM 991 CD2 ACE A 111 10.108 15.270 22.839 1.00 -0.06 C HETATM 992 H52 ACE A 111 11.143 15.446 22.509 1.00 0.02 H HETATM 993 H53 ACE A 111 9.489 14.991 21.973 1.00 0.02 H HETATM 994 H54 ACE A 111 10.092 14.456 23.579 1.00 0.02 H HETATM 995 H48 ACE A 111 10.172 16.788 24.346 1.00 0.03 H HETATM 996 H46 ACE A 111 9.064 17.431 21.583 1.00 0.03 H HETATM 997 H47 ACE A 111 9.099 18.576 22.967 1.00 0.03 H HETATM 998 H45 ACE A 111 11.633 17.283 21.889 1.00 0.08 H HETATM 999 H44 ACE A 111 11.059 19.218 23.946 1.00 0.19 H HETATM 1000 CB ACE A 111 12.977 21.485 24.133 1.00 -0.01 C HETATM 1001 CG ACE A 111 13.257 22.102 22.771 1.00 -0.02 C HETATM 1002 CD ACE A 111 12.755 23.541 22.747 1.00 0.06 C HETATM 1003 NE ACE A 111 13.085 24.287 21.532 1.00 -0.27 N HETATM 1004 CZ ACE A 111 12.281 24.395 20.474 1.00 0.29 C HETATM 1005 NH1 ACE A 111 11.111 23.761 20.437 1.00 -0.28 N HETATM 1006 H40 ACE A 111 10.501 23.854 19.613 1.00 0.26 H HETATM 1007 H41 ACE A 111 10.816 23.177 21.233 1.00 0.26 H HETATM 1008 NH2 ACE A 111 12.645 25.135 19.440 1.00 -0.28 N HETATM 1009 H42 ACE A 111 13.547 25.631 19.454 1.00 0.26 H HETATM 1010 H43 ACE A 111 12.026 25.215 18.621 1.00 0.26 H HETATM 1011 H39 ACE A 111 13.999 24.760 21.492 1.00 0.26 H HETATM 1012 H37 ACE A 111 13.196 24.071 23.604 1.00 0.07 H HETATM 1013 H38 ACE A 111 11.660 23.523 22.850 1.00 0.07 H HETATM 1014 H35 ACE A 111 12.740 21.521 21.993 1.00 0.03 H HETATM 1015 H36 ACE A 111 14.340 22.089 22.579 1.00 0.03 H HETATM 1016 H33 ACE A 111 13.481 22.095 24.897 1.00 0.03 H HETATM 1017 H34 ACE A 111 11.891 21.507 24.304 1.00 0.03 H HETATM 1018 H32 ACE A 111 13.073 19.631 25.230 1.00 0.08 H HETATM 1019 H31 ACE A 111 15.433 19.961 23.476 1.00 0.19 H HETATM 1020 CB ACE A 111 17.432 18.409 25.422 1.00 -0.01 C HETATM 1021 CG ACE A 111 18.937 18.181 25.142 1.00 -0.02 C HETATM 1022 CD ACE A 111 19.374 16.692 25.310 1.00 0.06 C HETATM 1023 NE ACE A 111 18.383 15.757 24.765 1.00 -0.27 N HETATM 1024 CZ ACE A 111 18.272 15.444 23.478 1.00 0.29 C HETATM 1025 NH1 ACE A 111 19.110 15.976 22.589 1.00 -0.28 N HETATM 1026 H27 ACE A 111 19.024 15.734 21.591 1.00 0.26 H HETATM 1027 H28 ACE A 111 19.843 16.629 22.899 1.00 0.26 H HETATM 1028 NH2 ACE A 111 17.302 14.629 23.070 1.00 -0.28 N HETATM 1029 H29 ACE A 111 16.653 14.217 23.756 1.00 0.26 H HETATM 1030 H30 ACE A 111 17.200 14.411 22.069 1.00 0.26 H HETATM 1031 H26 ACE A 111 17.729 15.313 25.425 1.00 0.26 H HETATM 1032 H24 ACE A 111 19.508 16.481 26.381 1.00 0.07 H HETATM 1033 H25 ACE A 111 20.329 16.542 24.785 1.00 0.07 H HETATM 1034 H22 ACE A 111 19.520 18.798 25.841 1.00 0.03 H HETATM 1035 H23 ACE A 111 19.152 18.494 24.110 1.00 0.03 H HETATM 1036 H20 ACE A 111 16.845 17.884 24.654 1.00 0.03 H HETATM 1037 H21 ACE A 111 17.190 17.998 26.413 1.00 0.03 H HETATM 1038 H19 ACE A 111 17.413 20.329 24.454 1.00 0.08 H HETATM 1039 H18 ACE A 111 17.750 20.148 27.391 1.00 0.19 H HETATM 1040 H16 ACE A 111 17.826 22.747 28.284 1.00 0.08 H HETATM 1041 H17 ACE A 111 19.330 21.772 28.160 1.00 0.08 H HETATM 1042 H15 ACE A 111 18.957 24.561 27.193 1.00 0.19 H HETATM 1043 CB ACE A 111 22.238 24.788 25.646 1.00 -0.00 C HETATM 1044 CG1 ACE A 111 23.038 26.047 25.285 1.00 -0.05 C HETATM 1045 CD1 ACE A 111 23.816 25.903 23.977 1.00 -0.06 C HETATM 1046 H12 ACE A 111 24.366 26.833 23.773 1.00 0.02 H HETATM 1047 H13 ACE A 111 23.115 25.704 23.153 1.00 0.02 H HETATM 1048 H14 ACE A 111 24.527 25.068 24.063 1.00 0.02 H HETATM 1049 H7 ACE A 111 23.751 26.254 26.096 1.00 0.03 H HETATM 1050 H8 ACE A 111 22.339 26.891 25.186 1.00 0.03 H HETATM 1051 CG2 ACE A 111 21.276 24.402 24.541 1.00 -0.06 C HETATM 1052 H9 ACE A 111 20.723 23.498 24.836 1.00 0.02 H HETATM 1053 H10 ACE A 111 21.839 24.202 23.618 1.00 0.02 H HETATM 1054 H11 ACE A 111 20.567 25.225 24.367 1.00 0.02 H HETATM 1055 H6 ACE A 111 22.952 23.962 25.779 1.00 0.03 H HETATM 1056 H5 ACE A 111 20.732 25.776 26.834 1.00 0.08 H HETATM 1057 H4 ACE A 111 23.193 24.796 28.202 1.00 0.19 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 809 810 811 815 CONECT 810 809 CONECT 811 809 812 813 814 CONECT 812 811 CONECT 813 811 CONECT 814 811 CONECT 815 809 816 1057 CONECT 816 815 817 1043 1056 CONECT 817 816 818 819 CONECT 818 817 CONECT 819 817 820 1042 CONECT 820 819 821 1040 1041 CONECT 821 820 822 823 CONECT 822 821 CONECT 823 821 824 1039 CONECT 824 823 825 1020 1038 CONECT 825 824 826 827 CONECT 826 825 CONECT 827 825 828 1019 CONECT 828 827 829 1000 1018 CONECT 829 828 830 831 CONECT 830 829 CONECT 831 829 832 999 CONECT 832 831 833 985 998 CONECT 833 832 834 835 CONECT 834 833 CONECT 835 833 836 977 CONECT 836 835 837 975 984 CONECT 837 836 838 839 CONECT 838 837 CONECT 839 837 840 967 CONECT 840 839 841 965 974 CONECT 841 840 842 843 CONECT 842 841 CONECT 843 841 844 964 CONECT 844 843 845 955 963 CONECT 845 844 846 847 CONECT 846 845 CONECT 847 845 848 947 CONECT 848 847 849 945 954 CONECT 849 848 850 851 CONECT 850 849 CONECT 851 849 852 944 CONECT 852 851 853 938 943 CONECT 853 852 854 855 CONECT 854 853 CONECT 855 853 856 937 CONECT 856 855 857 920 936 CONECT 857 856 858 859 CONECT 858 857 CONECT 859 857 860 912 CONECT 860 859 861 910 919 CONECT 861 860 862 863 CONECT 862 861 CONECT 863 861 864 909 CONECT 864 863 865 903 908 CONECT 865 864 866 867 CONECT 866 865 CONECT 867 865 868 902 CONECT 868 867 869 893 901 CONECT 869 868 870 871 CONECT 870 869 CONECT 871 869 872 892 CONECT 872 871 873 878 891 CONECT 873 872 874 875 CONECT 874 873 CONECT 875 873 876 877 CONECT 876 875 CONECT 877 875 CONECT 878 872 879 889 890 CONECT 879 878 880 884 888 CONECT 880 879 881 882 883 CONECT 881 880 CONECT 882 880 CONECT 883 880 CONECT 884 879 885 886 887 CONECT 885 884 CONECT 886 884 CONECT 887 884 CONECT 888 879 CONECT 889 878 CONECT 890 878 CONECT 891 872 CONECT 892 871 CONECT 893 868 894 896 900 CONECT 894 893 895 CONECT 895 894 CONECT 896 893 897 898 899 CONECT 897 896 CONECT 898 896 CONECT 899 896 CONECT 900 893 CONECT 901 868 CONECT 902 867 CONECT 903 864 904 906 907 CONECT 904 903 905 CONECT 905 904 CONECT 906 903 CONECT 907 903 CONECT 908 864 CONECT 909 863 CONECT 910 860 911 917 918 CONECT 911 910 912 915 916 CONECT 912 859 911 913 914 CONECT 913 912 CONECT 914 912 CONECT 915 911 CONECT 916 911 CONECT 917 910 CONECT 918 910 CONECT 919 860 CONECT 920 856 921 934 935 CONECT 921 920 922 932 933 CONECT 922 921 923 930 931 CONECT 923 922 924 928 929 CONECT 924 923 925 926 927 CONECT 925 924 CONECT 926 924 CONECT 927 924 CONECT 928 923 CONECT 929 923 CONECT 930 922 CONECT 931 922 CONECT 932 921 CONECT 933 921 CONECT 934 920 CONECT 935 920 CONECT 936 856 CONECT 937 855 CONECT 938 852 939 941 942 CONECT 939 938 940 CONECT 940 939 CONECT 941 938 CONECT 942 938 CONECT 943 852 CONECT 944 851 CONECT 945 848 946 952 953 CONECT 946 945 947 950 951 CONECT 947 847 946 948 949 CONECT 948 947 CONECT 949 947 CONECT 950 946 CONECT 951 946 CONECT 952 945 CONECT 953 945 CONECT 954 848 CONECT 955 844 956 958 962 CONECT 956 955 957 CONECT 957 956 CONECT 958 955 959 960 961 CONECT 959 958 CONECT 960 958 CONECT 961 958 CONECT 962 955 CONECT 963 844 CONECT 964 843 CONECT 965 840 966 972 973 CONECT 966 965 967 970 971 CONECT 967 839 966 968 969 CONECT 968 967 CONECT 969 967 CONECT 970 966 CONECT 971 966 CONECT 972 965 CONECT 973 965 CONECT 974 840 CONECT 975 836 976 982 983 CONECT 976 975 977 980 981 CONECT 977 835 976 978 979 CONECT 978 977 CONECT 979 977 CONECT 980 976 CONECT 981 976 CONECT 982 975 CONECT 983 975 CONECT 984 836 CONECT 985 832 986 996 997 CONECT 986 985 987 991 995 CONECT 987 986 988 989 990 CONECT 988 987 CONECT 989 987 CONECT 990 987 CONECT 991 986 992 993 994 CONECT 992 991 CONECT 993 991 CONECT 994 991 CONECT 995 986 CONECT 996 985 CONECT 997 985 CONECT 998 832 CONECT 999 831 CONECT 1000 828 1001 1016 1017 CONECT 1001 1000 1002 1014 1015 CONECT 1002 1001 1003 1012 1013 CONECT 1003 1002 1004 1011 CONECT 1004 1003 1005 1008 CONECT 1005 1004 1006 1007 CONECT 1006 1005 CONECT 1007 1005 CONECT 1008 1004 1009 1010 CONECT 1009 1008 CONECT 1010 1008 CONECT 1011 1003 CONECT 1012 1002 CONECT 1013 1002 CONECT 1014 1001 CONECT 1015 1001 CONECT 1016 1000 CONECT 1017 1000 CONECT 1018 828 CONECT 1019 827 CONECT 1020 824 1021 1036 1037 CONECT 1021 1020 1022 1034 1035 CONECT 1022 1021 1023 1032 1033 CONECT 1023 1022 1024 1031 CONECT 1024 1023 1025 1028 CONECT 1025 1024 1026 1027 CONECT 1026 1025 CONECT 1027 1025 CONECT 1028 1024 1029 1030 CONECT 1029 1028 CONECT 1030 1028 CONECT 1031 1023 CONECT 1032 1022 CONECT 1033 1022 CONECT 1034 1021 CONECT 1035 1021 CONECT 1036 1020 CONECT 1037 1020 CONECT 1038 824 CONECT 1039 823 CONECT 1040 820 CONECT 1041 820 CONECT 1042 819 CONECT 1043 816 1044 1051 1055 CONECT 1044 1043 1045 1049 1050 CONECT 1045 1044 1046 1047 1048 CONECT 1046 1045 CONECT 1047 1045 CONECT 1048 1045 CONECT 1049 1044 CONECT 1050 1044 CONECT 1051 1043 1052 1053 1054 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1051 CONECT 1055 1043 CONECT 1056 816 CONECT 1057 815 MASTER 0 0 0 0 0 0 0 0 1056 1 253 6 END
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Entry Information
PDB ID
4z8a
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SH3-III of Drosophila Rim-binding protein
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
1.76(Å)
Affinity (Kd/Ki/IC50)
Kd=17.3uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Elife Vol. 4: pp.1-30
Ligand Properties
Formula
C
7
4
H
1
3
2
N
2
3
O
2
0
Molecular Weight
1663.980
Exact Mass
1663.000
No. of atoms
249
No. of bonds
252
Polar Surface Area
685.01
LOGP Value
-1.64 (
Computed with XLOGP3
)
-5.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 67
No. of Nitrogen and Oxygen Atoms: 43
No. of Rings: 4
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)[C@H](O)C)CO)CCCC[NH3+])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)CNC(=O)[C@H]([C@H](CC)C)NC(=O)C)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)CC(C)C
InChI String
InChI=1S/C74H129N23O20/c1-10-40(6)56(84-43(9)102)67(112)83-35-55(103)85-44(20-13-27-81-73(77)78)60(105)86-45(21-14-28-82-74(79)80)61(106)89-48(34-39(4)5)70(115)97-32-18-25-54(97)71(116)95-30-16-24-53(95)66(111)93-58(42(8)101)72(117)96-31-17-23-52(96)65(110)90-49(36-98)62(107)87-46(19-11-12-26-75)69(114)94-29-15-22-51(94)64(109)91-50(37-99)63(108)92-57(41(7)100)68(113)88-47(59(76)104)33-38(2)3/h38-42,44-54,56-58,98-101H,10-37,75H2,1-9H3,(H2,76,104)(H,83,112)(H,84,102)(H,85,103)(H,86,105)(H,87,107)(H,88,113)(H,89,106)(H,90,110)(H,91,109)(H,92,108)(H,93,111)(H4,77,78,81)(H4,79,80,82)/p+3/t40-,41+,42+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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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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