Browse entries in the PDBbind-CN Database
HEADER 2LTV_COMPLEX COMPND 2LTV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 36 GLY PRO LEU PRO ASP GLY TRP GLU GLN ALA MET THR GLN SEQRES 2 A 36 ASP GLY GLU ILE TYR TYR ILE ASN HIS LYS ASN LYS THR SEQRES 3 A 36 THR SER TRP LEU ASP PRO ARG LEU ASP PRO HET SER A 37 190 ATOM 1 N GLY A 230 10.354 -0.709 -6.258 1.00 15.00 N ATOM 2 CA GLY A 230 11.695 -1.126 -5.783 1.00 15.00 C ATOM 3 C GLY A 230 11.623 -1.742 -4.404 1.00 15.00 C ATOM 4 O GLY A 230 10.560 -2.200 -3.996 1.00 15.00 O ATOM 5 HA3 GLY A 230 12.347 -0.253 -5.749 1.00 0.00 H ATOM 6 HA2 GLY A 230 12.106 -1.858 -6.478 1.00 0.00 H ATOM 7 HN3 GLY A 230 9.958 -0.006 -5.602 1.00 0.00 H ATOM 8 HN2 GLY A 230 9.728 -1.539 -6.298 1.00 0.00 H ATOM 9 HN1 GLY A 230 10.438 -0.291 -7.206 1.00 0.00 H ATOM 10 N PRO A 231 12.740 -1.783 -3.664 1.00 15.00 N ATOM 11 CA PRO A 231 12.755 -2.284 -2.293 1.00 15.00 C ATOM 12 C PRO A 231 12.152 -1.270 -1.327 1.00 15.00 C ATOM 13 O PRO A 231 12.655 -0.151 -1.197 1.00 15.00 O ATOM 14 CB PRO A 231 14.247 -2.499 -1.985 1.00 15.00 C ATOM 15 CG PRO A 231 14.977 -2.224 -3.264 1.00 15.00 C ATOM 16 CD PRO A 231 14.074 -1.360 -4.096 1.00 15.00 C ATOM 17 HA PRO A 231 12.164 -3.193 -2.183 1.00 0.00 H ATOM 18 HD3 PRO A 231 14.239 -0.303 -3.888 1.00 0.00 H ATOM 19 HD2 PRO A 231 14.221 -1.546 -5.160 1.00 0.00 H ATOM 20 HG3 PRO A 231 15.189 -3.158 -3.785 1.00 0.00 H ATOM 21 HG2 PRO A 231 15.912 -1.703 -3.059 1.00 0.00 H ATOM 22 HB2 PRO A 231 14.576 -1.812 -1.206 1.00 0.00 H ATOM 23 HB3 PRO A 231 14.423 -3.525 -1.661 1.00 0.00 H ATOM 24 N LEU A 232 11.071 -1.647 -0.661 1.00 15.00 N ATOM 25 CA LEU A 232 10.385 -0.725 0.231 1.00 15.00 C ATOM 26 C LEU A 232 11.043 -0.666 1.600 1.00 15.00 C ATOM 27 O LEU A 232 11.798 -1.564 1.967 1.00 15.00 O ATOM 28 CB LEU A 232 8.885 -1.014 0.399 1.00 15.00 C ATOM 29 CG LEU A 232 8.018 -0.638 -0.791 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.252 0.798 -1.206 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.246 -1.575 -1.962 1.00 15.00 C ATOM 32 HA LEU A 232 10.474 0.244 -0.260 1.00 0.00 H ATOM 33 HB2 LEU A 232 8.765 -2.082 0.580 1.00 0.00 H ATOM 34 HB3 LEU A 232 8.529 -0.457 1.266 1.00 0.00 H ATOM 35 HG LEU A 232 6.979 -0.738 -0.479 1.00 0.00 H ATOM 36 HD21 LEU A 232 9.291 -1.526 -2.267 1.00 0.00 H ATOM 37 HD22 LEU A 232 8.000 -2.594 -1.663 1.00 0.00 H ATOM 38 HD23 LEU A 232 7.609 -1.276 -2.795 1.00 0.00 H ATOM 39 HD11 LEU A 232 8.008 1.459 -0.375 1.00 0.00 H ATOM 40 HD12 LEU A 232 9.298 0.929 -1.482 1.00 0.00 H ATOM 41 HD13 LEU A 232 7.617 1.036 -2.059 1.00 0.00 H ATOM 42 H LEU A 232 10.708 -2.615 -0.777 1.00 0.00 H ATOM 43 N PRO A 233 10.773 0.408 2.376 1.00 15.00 N ATOM 44 CA PRO A 233 11.328 0.590 3.733 1.00 15.00 C ATOM 45 C PRO A 233 10.941 -0.542 4.697 1.00 15.00 C ATOM 46 O PRO A 233 11.405 -0.576 5.836 1.00 15.00 O ATOM 47 CB PRO A 233 10.702 1.919 4.168 1.00 15.00 C ATOM 48 CG PRO A 233 10.482 2.626 2.888 1.00 15.00 C ATOM 49 CD PRO A 233 9.901 1.560 2.027 1.00 15.00 C ATOM 50 HA PRO A 233 12.418 0.582 3.741 1.00 0.00 H ATOM 51 HD3 PRO A 233 8.859 1.365 2.279 1.00 0.00 H ATOM 52 HD2 PRO A 233 9.976 1.814 0.970 1.00 0.00 H ATOM 53 HG3 PRO A 233 11.420 2.997 2.476 1.00 0.00 H ATOM 54 HG2 PRO A 233 9.787 3.456 3.011 1.00 0.00 H ATOM 55 HB2 PRO A 233 9.760 1.755 4.691 1.00 0.00 H ATOM 56 HB3 PRO A 233 11.381 2.478 4.812 1.00 0.00 H ATOM 57 N ASP A 234 10.017 -1.403 4.240 1.00 15.00 N ATOM 58 CA ASP A 234 9.585 -2.616 4.961 1.00 15.00 C ATOM 59 C ASP A 234 8.498 -2.301 5.975 1.00 15.00 C ATOM 60 O ASP A 234 8.102 -3.151 6.774 1.00 15.00 O ATOM 61 CB ASP A 234 10.754 -3.343 5.645 1.00 15.00 C ATOM 62 CG ASP A 234 11.736 -3.953 4.661 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.300 -4.689 3.748 1.00 15.00 O ATOM 64 OD2 ASP A 234 12.956 -3.720 4.811 1.00 15.00 O ATOM 65 HA ASP A 234 9.176 -3.289 4.207 1.00 0.00 H ATOM 66 HB2 ASP A 234 11.289 -2.628 6.271 1.00 0.00 H ATOM 67 HB3 ASP A 234 10.349 -4.139 6.270 1.00 0.00 H ATOM 68 H ASP A 234 9.578 -1.202 3.319 1.00 0.00 H ATOM 69 N GLY A 235 7.987 -1.085 5.914 1.00 15.00 N ATOM 70 CA GLY A 235 6.817 -0.745 6.690 1.00 15.00 C ATOM 71 C GLY A 235 5.551 -1.067 5.932 1.00 15.00 C ATOM 72 O GLY A 235 4.517 -1.363 6.527 1.00 15.00 O ATOM 73 HA3 GLY A 235 6.836 0.321 6.915 1.00 0.00 H ATOM 74 HA2 GLY A 235 6.829 -1.312 7.621 1.00 0.00 H ATOM 75 H GLY A 235 8.429 -0.368 5.304 1.00 0.00 H ATOM 76 N TRP A 236 5.652 -1.047 4.609 1.00 15.00 N ATOM 77 CA TRP A 236 4.503 -1.244 3.740 1.00 15.00 C ATOM 78 C TRP A 236 4.744 -2.197 2.585 1.00 15.00 C ATOM 79 O TRP A 236 5.846 -2.298 2.046 1.00 15.00 O ATOM 80 CB TRP A 236 3.937 0.088 3.239 1.00 15.00 C ATOM 81 CG TRP A 236 4.909 1.227 3.098 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.257 1.191 2.866 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.562 2.608 3.215 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.760 2.469 2.858 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.736 3.356 3.066 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.358 3.280 3.438 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.745 4.751 3.139 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.364 4.659 3.505 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.551 5.382 3.359 1.00 15.00 C ATOM 90 HA TRP A 236 3.758 -1.728 4.371 1.00 0.00 H ATOM 91 HB2 TRP A 236 3.492 -0.090 2.260 1.00 0.00 H ATOM 92 HB3 TRP A 236 3.161 0.401 3.938 1.00 0.00 H ATOM 93 HE1 TRP A 236 7.759 2.723 2.717 1.00 0.00 H ATOM 94 HD1 TRP A 236 6.843 0.285 2.711 1.00 0.00 H ATOM 95 HZ2 TRP A 236 6.670 5.316 3.025 1.00 0.00 H ATOM 96 HH2 TRP A 236 4.525 6.470 3.422 1.00 0.00 H ATOM 97 HZ3 TRP A 236 2.428 5.192 3.674 1.00 0.00 H ATOM 98 HE3 TRP A 236 2.428 2.724 3.557 1.00 0.00 H ATOM 99 H TRP A 236 6.585 -0.885 4.179 1.00 0.00 H ATOM 100 N GLU A 237 3.652 -2.854 2.203 1.00 15.00 N ATOM 101 CA GLU A 237 3.646 -3.897 1.191 1.00 15.00 C ATOM 102 C GLU A 237 2.634 -3.518 0.104 1.00 15.00 C ATOM 103 O GLU A 237 1.533 -3.062 0.420 1.00 15.00 O ATOM 104 CB GLU A 237 3.241 -5.217 1.870 1.00 15.00 C ATOM 105 CG GLU A 237 3.830 -6.471 1.247 1.00 15.00 C ATOM 106 CD GLU A 237 3.345 -6.727 -0.162 1.00 15.00 C ATOM 107 OE1 GLU A 237 2.249 -7.302 -0.322 1.00 15.00 O ATOM 108 OE2 GLU A 237 4.064 -6.364 -1.117 1.00 15.00 O ATOM 109 HA GLU A 237 4.629 -4.011 0.733 1.00 0.00 H ATOM 110 HB2 GLU A 237 3.562 -5.174 2.911 1.00 0.00 H ATOM 111 HB3 GLU A 237 2.155 -5.298 1.830 1.00 0.00 H ATOM 112 HG2 GLU A 237 4.915 -6.370 1.226 1.00 0.00 H ATOM 113 HG3 GLU A 237 3.558 -7.325 1.867 1.00 0.00 H ATOM 114 H GLU A 237 2.749 -2.606 2.656 1.00 0.00 H ATOM 115 N GLN A 238 2.993 -3.717 -1.161 1.00 15.00 N ATOM 116 CA GLN A 238 2.125 -3.325 -2.270 1.00 15.00 C ATOM 117 C GLN A 238 1.178 -4.469 -2.660 1.00 15.00 C ATOM 118 O GLN A 238 1.612 -5.484 -3.210 1.00 15.00 O ATOM 119 CB GLN A 238 2.959 -2.897 -3.489 1.00 15.00 C ATOM 120 CG GLN A 238 2.167 -2.807 -4.784 1.00 15.00 C ATOM 121 CD GLN A 238 3.055 -2.627 -6.002 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.744 -3.118 -7.086 1.00 15.00 O ATOM 123 NE2 GLN A 238 4.154 -1.904 -5.846 1.00 15.00 N ATOM 124 HA GLN A 238 1.526 -2.477 -1.938 1.00 0.00 H ATOM 125 HB2 GLN A 238 3.390 -1.917 -3.282 1.00 0.00 H ATOM 126 HB3 GLN A 238 3.760 -3.623 -3.627 1.00 0.00 H ATOM 127 HG2 GLN A 238 1.590 -3.724 -4.905 1.00 0.00 H ATOM 128 HG3 GLN A 238 1.487 -1.958 -4.719 1.00 0.00 H ATOM 129 HE22 GLN A 238 4.385 -1.504 -4.914 1.00 0.00 H ATOM 130 HE21 GLN A 238 4.785 -1.736 -6.655 1.00 0.00 H ATOM 131 H GLN A 238 3.911 -4.161 -1.366 1.00 0.00 H ATOM 132 N ALA A 239 -0.110 -4.317 -2.360 1.00 15.00 N ATOM 133 CA ALA A 239 -1.106 -5.301 -2.748 1.00 15.00 C ATOM 134 C ALA A 239 -1.944 -4.766 -3.903 1.00 15.00 C ATOM 135 O ALA A 239 -2.127 -3.556 -4.031 1.00 15.00 O ATOM 136 CB ALA A 239 -1.986 -5.659 -1.562 1.00 15.00 C ATOM 137 HA ALA A 239 -0.599 -6.207 -3.079 1.00 0.00 H ATOM 138 HB1 ALA A 239 -1.368 -6.073 -0.765 1.00 0.00 H ATOM 139 HB2 ALA A 239 -2.492 -4.763 -1.203 1.00 0.00 H ATOM 140 HB3 ALA A 239 -2.726 -6.397 -1.870 1.00 0.00 H ATOM 141 H ALA A 239 -0.411 -3.472 -1.834 1.00 0.00 H ATOM 142 N MET A 240 -2.435 -5.656 -4.750 1.00 15.00 N ATOM 143 CA MET A 240 -3.203 -5.254 -5.920 1.00 15.00 C ATOM 144 C MET A 240 -4.693 -5.473 -5.686 1.00 15.00 C ATOM 145 O MET A 240 -5.122 -6.584 -5.372 1.00 15.00 O ATOM 146 CB MET A 240 -2.754 -6.050 -7.152 1.00 15.00 C ATOM 147 CG MET A 240 -1.277 -5.903 -7.474 1.00 15.00 C ATOM 148 SD MET A 240 -0.794 -6.806 -8.960 1.00 15.00 S ATOM 149 CE MET A 240 -1.224 -8.484 -8.495 1.00 15.00 C ATOM 150 HA MET A 240 -3.025 -4.193 -6.094 1.00 0.00 H ATOM 151 HB2 MET A 240 -2.964 -7.105 -6.975 1.00 0.00 H ATOM 152 HB3 MET A 240 -3.329 -5.706 -8.012 1.00 0.00 H ATOM 153 HG2 MET A 240 -0.697 -6.281 -6.632 1.00 0.00 H ATOM 154 HG3 MET A 240 -1.055 -4.846 -7.621 1.00 0.00 H ATOM 155 HE1 MET A 240 -0.659 -8.770 -7.608 1.00 0.00 H ATOM 156 HE2 MET A 240 -2.291 -8.538 -8.280 1.00 0.00 H ATOM 157 HE3 MET A 240 -0.983 -9.160 -9.315 1.00 0.00 H ATOM 158 H MET A 240 -2.268 -6.668 -4.576 1.00 0.00 H ATOM 159 N THR A 241 -5.479 -4.413 -5.832 1.00 15.00 N ATOM 160 CA THR A 241 -6.923 -4.524 -5.710 1.00 15.00 C ATOM 161 C THR A 241 -7.534 -4.718 -7.103 1.00 15.00 C ATOM 162 O THR A 241 -6.984 -4.232 -8.100 1.00 15.00 O ATOM 163 CB THR A 241 -7.535 -3.286 -4.998 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.840 -3.591 -4.493 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.620 -2.083 -5.926 1.00 15.00 C ATOM 166 HA THR A 241 -7.156 -5.390 -5.091 1.00 0.00 H ATOM 167 HB THR A 241 -6.872 -3.033 -4.171 1.00 0.00 H ATOM 168 HG1 THR A 241 -9.430 -3.855 -5.243 1.00 0.00 H ATOM 169 HG23 THR A 241 -6.627 -1.851 -6.310 1.00 0.00 H ATOM 170 HG21 THR A 241 -8.288 -2.313 -6.756 1.00 0.00 H ATOM 171 HG22 THR A 241 -8.006 -1.226 -5.374 1.00 0.00 H ATOM 172 H THR A 241 -5.054 -3.486 -6.037 1.00 0.00 H ATOM 173 N GLN A 242 -8.664 -5.421 -7.166 1.00 15.00 N ATOM 174 CA GLN A 242 -9.259 -5.843 -8.437 1.00 15.00 C ATOM 175 C GLN A 242 -9.741 -4.648 -9.265 1.00 15.00 C ATOM 176 O GLN A 242 -9.942 -4.759 -10.478 1.00 15.00 O ATOM 177 CB GLN A 242 -10.410 -6.820 -8.175 1.00 15.00 C ATOM 178 CG GLN A 242 -11.050 -7.382 -9.435 1.00 15.00 C ATOM 179 CD GLN A 242 -12.082 -8.450 -9.136 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.767 -9.640 -9.087 1.00 15.00 O ATOM 181 NE2 GLN A 242 -13.319 -8.034 -8.922 1.00 15.00 N ATOM 182 HA GLN A 242 -8.487 -6.347 -9.019 1.00 0.00 H ATOM 183 HB2 GLN A 242 -10.025 -7.653 -7.586 1.00 0.00 H ATOM 184 HB3 GLN A 242 -11.178 -6.298 -7.604 1.00 0.00 H ATOM 185 HG2 GLN A 242 -11.535 -6.568 -9.974 1.00 0.00 H ATOM 186 HG3 GLN A 242 -10.269 -7.815 -10.060 1.00 0.00 H ATOM 187 HE22 GLN A 242 -13.543 -7.020 -8.973 1.00 0.00 H ATOM 188 HE21 GLN A 242 -14.068 -8.721 -8.703 1.00 0.00 H ATOM 189 H GLN A 242 -9.142 -5.680 -6.279 1.00 0.00 H ATOM 190 N ASP A 243 -9.941 -3.517 -8.601 1.00 15.00 N ATOM 191 CA ASP A 243 -10.258 -2.258 -9.277 1.00 15.00 C ATOM 192 C ASP A 243 -9.133 -1.857 -10.240 1.00 15.00 C ATOM 193 O ASP A 243 -9.310 -0.998 -11.104 1.00 15.00 O ATOM 194 CB ASP A 243 -10.489 -1.151 -8.242 1.00 15.00 C ATOM 195 CG ASP A 243 -11.012 0.139 -8.847 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.239 0.242 -9.069 1.00 15.00 O ATOM 197 OD2 ASP A 243 -10.205 1.062 -9.085 1.00 15.00 O ATOM 198 HA ASP A 243 -11.170 -2.399 -9.858 1.00 0.00 H ATOM 199 HB2 ASP A 243 -11.213 -1.508 -7.509 1.00 0.00 H ATOM 200 HB3 ASP A 243 -9.543 -0.941 -7.743 1.00 0.00 H ATOM 201 H ASP A 243 -9.870 -3.525 -7.563 1.00 0.00 H ATOM 202 N GLY A 244 -7.976 -2.496 -10.091 1.00 15.00 N ATOM 203 CA GLY A 244 -6.852 -2.219 -10.964 1.00 15.00 C ATOM 204 C GLY A 244 -5.907 -1.186 -10.384 1.00 15.00 C ATOM 205 O GLY A 244 -5.314 -0.399 -11.117 1.00 15.00 O ATOM 206 HA3 GLY A 244 -7.232 -1.850 -11.917 1.00 0.00 H ATOM 207 HA2 GLY A 244 -6.300 -3.145 -11.128 1.00 0.00 H ATOM 208 H GLY A 244 -7.876 -3.205 -9.337 1.00 0.00 H ATOM 209 N GLU A 245 -5.761 -1.195 -9.067 1.00 15.00 N ATOM 210 CA GLU A 245 -4.918 -0.225 -8.378 1.00 15.00 C ATOM 211 C GLU A 245 -4.100 -0.918 -7.297 1.00 15.00 C ATOM 212 O GLU A 245 -4.610 -1.772 -6.571 1.00 15.00 O ATOM 213 CB GLU A 245 -5.776 0.878 -7.753 1.00 15.00 C ATOM 214 CG GLU A 245 -6.429 1.811 -8.762 1.00 15.00 C ATOM 215 CD GLU A 245 -5.464 2.832 -9.328 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.640 2.470 -10.194 1.00 15.00 O ATOM 217 OE2 GLU A 245 -5.528 4.008 -8.911 1.00 15.00 O ATOM 218 HA GLU A 245 -4.241 0.225 -9.105 1.00 0.00 H ATOM 219 HB2 GLU A 245 -6.563 0.406 -7.165 1.00 0.00 H ATOM 220 HB3 GLU A 245 -5.141 1.474 -7.097 1.00 0.00 H ATOM 221 HG2 GLU A 245 -6.826 1.214 -9.583 1.00 0.00 H ATOM 222 HG3 GLU A 245 -7.246 2.339 -8.270 1.00 0.00 H ATOM 223 H GLU A 245 -6.262 -1.915 -8.508 1.00 0.00 H ATOM 224 N ILE A 246 -2.837 -0.550 -7.188 1.00 15.00 N ATOM 225 CA ILE A 246 -1.961 -1.129 -6.181 1.00 15.00 C ATOM 226 C ILE A 246 -1.863 -0.206 -4.966 1.00 15.00 C ATOM 227 O ILE A 246 -1.722 1.005 -5.116 1.00 15.00 O ATOM 228 CB ILE A 246 -0.555 -1.405 -6.759 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.072 -0.117 -7.307 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.638 -2.466 -7.849 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.367 -0.339 -8.057 1.00 15.00 C ATOM 232 HA ILE A 246 -2.391 -2.080 -5.867 1.00 0.00 H ATOM 233 HB ILE A 246 0.083 -1.775 -5.957 1.00 0.00 H ATOM 234 HG12 ILE A 246 -0.642 0.352 -7.984 1.00 0.00 H ATOM 235 HG13 ILE A 246 0.270 0.552 -6.470 1.00 0.00 H ATOM 236 HD11 ILE A 246 2.098 -0.797 -7.390 1.00 0.00 H ATOM 237 HD12 ILE A 246 1.185 -0.998 -8.906 1.00 0.00 H ATOM 238 HD13 ILE A 246 1.748 0.618 -8.413 1.00 0.00 H ATOM 239 HG21 ILE A 246 -1.040 -3.387 -7.428 1.00 0.00 H ATOM 240 HG22 ILE A 246 -1.292 -2.115 -8.647 1.00 0.00 H ATOM 241 HG23 ILE A 246 0.359 -2.653 -8.249 1.00 0.00 H ATOM 242 H ILE A 246 -2.460 0.170 -7.837 1.00 0.00 H ATOM 243 N TYR A 247 -1.959 -0.775 -3.769 1.00 15.00 N ATOM 244 CA TYR A 247 -1.948 0.019 -2.548 1.00 15.00 C ATOM 245 C TYR A 247 -0.939 -0.553 -1.545 1.00 15.00 C ATOM 246 O TYR A 247 -0.832 -1.772 -1.395 1.00 15.00 O ATOM 247 CB TYR A 247 -3.353 0.064 -1.916 1.00 15.00 C ATOM 248 CG TYR A 247 -3.930 -1.295 -1.557 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.457 -2.132 -2.535 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.945 -1.740 -0.239 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.978 -3.370 -2.211 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.465 -2.981 0.092 1.00 15.00 C ATOM 253 CZ TYR A 247 -4.979 -3.789 -0.900 1.00 15.00 C ATOM 254 OH TYR A 247 -5.495 -5.022 -0.581 1.00 15.00 O ATOM 255 HA TYR A 247 -1.650 1.035 -2.806 1.00 0.00 H ATOM 256 HB3 TYR A 247 -4.029 0.544 -2.623 1.00 0.00 H ATOM 257 HB2 TYR A 247 -3.298 0.661 -1.006 1.00 0.00 H ATOM 258 HD2 TYR A 247 -3.541 -1.102 0.547 1.00 0.00 H ATOM 259 HE2 TYR A 247 -4.468 -3.316 1.129 1.00 0.00 H ATOM 260 HE1 TYR A 247 -5.387 -4.013 -2.991 1.00 0.00 H ATOM 261 HD1 TYR A 247 -4.459 -1.806 -3.575 1.00 0.00 H ATOM 262 HH TYR A 247 -5.818 -5.466 -1.405 1.00 0.00 H ATOM 263 H TYR A 247 -2.044 -1.809 -3.703 1.00 0.00 H ATOM 264 N TYR A 248 -0.211 0.321 -0.852 1.00 15.00 N ATOM 265 CA TYR A 248 0.730 -0.098 0.171 1.00 15.00 C ATOM 266 C TYR A 248 0.086 -0.071 1.545 1.00 15.00 C ATOM 267 O TYR A 248 -0.365 0.977 2.011 1.00 15.00 O ATOM 268 CB TYR A 248 1.965 0.803 0.174 1.00 15.00 C ATOM 269 CG TYR A 248 2.969 0.441 -0.884 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.839 0.893 -2.191 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.043 -0.372 -0.572 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.757 0.538 -3.157 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.959 -0.726 -1.531 1.00 15.00 C ATOM 274 CZ TYR A 248 4.812 -0.273 -2.821 1.00 15.00 C ATOM 275 OH TYR A 248 5.728 -0.630 -3.780 1.00 15.00 O ATOM 276 HA TYR A 248 1.032 -1.120 -0.060 1.00 0.00 H ATOM 277 HB3 TYR A 248 2.447 0.727 1.149 1.00 0.00 H ATOM 278 HB2 TYR A 248 1.644 1.831 0.009 1.00 0.00 H ATOM 279 HD2 TYR A 248 4.164 -0.736 0.448 1.00 0.00 H ATOM 280 HE2 TYR A 248 5.802 -1.366 -1.270 1.00 0.00 H ATOM 281 HE1 TYR A 248 3.646 0.899 -4.180 1.00 0.00 H ATOM 282 HD1 TYR A 248 2.000 1.537 -2.457 1.00 0.00 H ATOM 283 HH TYR A 248 5.474 -0.221 -4.645 1.00 0.00 H ATOM 284 H TYR A 248 -0.320 1.336 -1.050 1.00 0.00 H ATOM 285 N ILE A 249 0.037 -1.226 2.180 1.00 15.00 N ATOM 286 CA ILE A 249 -0.425 -1.322 3.548 1.00 15.00 C ATOM 287 C ILE A 249 0.752 -1.155 4.502 1.00 15.00 C ATOM 288 O ILE A 249 1.620 -2.027 4.593 1.00 15.00 O ATOM 289 CB ILE A 249 -1.136 -2.670 3.808 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.305 -3.835 3.254 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.526 -2.660 3.191 1.00 15.00 C ATOM 292 CD1 ILE A 249 -0.914 -5.197 3.508 1.00 15.00 C ATOM 293 HA ILE A 249 -1.148 -0.525 3.721 1.00 0.00 H ATOM 294 HB ILE A 249 -1.237 -2.807 4.885 1.00 0.00 H ATOM 295 HG12 ILE A 249 -0.200 -3.701 2.177 1.00 0.00 H ATOM 296 HG13 ILE A 249 0.680 -3.807 3.720 1.00 0.00 H ATOM 297 HD11 ILE A 249 -1.015 -5.354 4.582 1.00 0.00 H ATOM 298 HD12 ILE A 249 -1.896 -5.248 3.038 1.00 0.00 H ATOM 299 HD13 ILE A 249 -0.268 -5.967 3.086 1.00 0.00 H ATOM 300 HG21 ILE A 249 -3.113 -1.856 3.634 1.00 0.00 H ATOM 301 HG22 ILE A 249 -2.444 -2.502 2.116 1.00 0.00 H ATOM 302 HG23 ILE A 249 -3.014 -3.616 3.382 1.00 0.00 H ATOM 303 H ILE A 249 0.338 -2.090 1.685 1.00 0.00 H ATOM 304 N ASN A 250 0.792 -0.034 5.206 1.00 15.00 N ATOM 305 CA ASN A 250 1.894 0.236 6.114 1.00 15.00 C ATOM 306 C ASN A 250 1.555 -0.322 7.505 1.00 15.00 C ATOM 307 O ASN A 250 0.669 0.213 8.175 1.00 15.00 O ATOM 308 CB ASN A 250 2.166 1.746 6.209 1.00 15.00 C ATOM 309 CG ASN A 250 3.395 2.083 7.042 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.757 1.365 7.972 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.041 3.189 6.718 1.00 15.00 N ATOM 312 HA ASN A 250 2.792 -0.249 5.731 1.00 0.00 H ATOM 313 HB2 ASN A 250 2.312 2.136 5.202 1.00 0.00 H ATOM 314 HB3 ASN A 250 1.298 2.227 6.661 1.00 0.00 H ATOM 315 HD22 ASN A 250 3.707 3.773 5.925 1.00 0.00 H ATOM 316 HD21 ASN A 250 4.884 3.476 7.256 1.00 0.00 H ATOM 317 H ASN A 250 0.025 0.662 5.108 1.00 0.00 H ATOM 318 N HIS A 251 2.243 -1.395 7.941 1.00 15.00 N ATOM 319 CA HIS A 251 1.917 -2.059 9.193 1.00 15.00 C ATOM 320 C HIS A 251 2.525 -1.313 10.374 1.00 15.00 C ATOM 321 O HIS A 251 2.173 -1.559 11.528 1.00 15.00 O ATOM 322 CB HIS A 251 2.429 -3.508 9.183 1.00 15.00 C ATOM 323 CG HIS A 251 1.841 -4.374 8.105 1.00 15.00 C ATOM 324 ND1 HIS A 251 2.523 -4.721 6.951 1.00 15.00 N ATOM 325 CD2 HIS A 251 0.633 -4.978 8.016 1.00 15.00 C ATOM 326 CE1 HIS A 251 1.756 -5.493 6.206 1.00 15.00 C ATOM 327 NE2 HIS A 251 0.605 -5.666 6.828 1.00 15.00 N ATOM 328 HA HIS A 251 0.832 -2.063 9.298 1.00 0.00 H ATOM 329 HB2 HIS A 251 3.510 -3.485 9.049 1.00 0.00 H ATOM 330 HB3 HIS A 251 2.193 -3.958 10.147 1.00 0.00 H ATOM 331 HD2 HIS A 251 -0.170 -4.928 8.752 1.00 0.00 H ATOM 332 HE1 HIS A 251 2.027 -5.917 5.239 1.00 0.00 H ATOM 333 H HIS A 251 3.030 -1.759 7.366 1.00 0.00 H ATOM 334 N LYS A 252 3.456 -0.416 10.083 1.00 15.00 N ATOM 335 CA LYS A 252 4.140 0.335 11.126 1.00 15.00 C ATOM 336 C LYS A 252 3.359 1.594 11.487 1.00 15.00 C ATOM 337 O LYS A 252 3.165 1.901 12.663 1.00 15.00 O ATOM 338 CB LYS A 252 5.554 0.725 10.682 1.00 15.00 C ATOM 339 CG LYS A 252 6.447 -0.451 10.310 1.00 15.00 C ATOM 340 CD LYS A 252 6.642 -1.409 11.475 1.00 15.00 C ATOM 341 CE LYS A 252 7.785 -2.381 11.216 1.00 15.00 C ATOM 342 NZ LYS A 252 7.603 -3.146 9.951 1.00 15.00 N ATOM 343 HA LYS A 252 4.208 -0.308 12.003 1.00 0.00 H ATOM 344 HB2 LYS A 252 5.470 1.377 9.813 1.00 0.00 H ATOM 345 HB3 LYS A 252 6.029 1.269 11.498 1.00 0.00 H ATOM 346 HG2 LYS A 252 5.990 -0.992 9.482 1.00 0.00 H ATOM 347 HG3 LYS A 252 7.420 -0.070 10.000 1.00 0.00 H ATOM 348 HD2 LYS A 252 6.864 -0.833 12.374 1.00 0.00 H ATOM 349 HD3 LYS A 252 5.723 -1.975 11.625 1.00 0.00 H ATOM 350 HE2 LYS A 252 7.841 -3.085 12.046 1.00 0.00 H ATOM 351 HE3 LYS A 252 8.716 -1.818 11.154 1.00 0.00 H ATOM 352 HZ1 LYS A 252 6.720 -3.693 10.002 1.00 0.00 H ATOM 353 HZ2 LYS A 252 7.556 -2.484 9.151 1.00 0.00 H ATOM 354 HZ3 LYS A 252 8.406 -3.793 9.820 1.00 0.00 H ATOM 355 H LYS A 252 3.704 -0.245 9.088 1.00 0.00 H ATOM 356 N ASN A 253 2.925 2.326 10.471 1.00 15.00 N ATOM 357 CA ASN A 253 2.225 3.587 10.685 1.00 15.00 C ATOM 358 C ASN A 253 0.717 3.410 10.562 1.00 15.00 C ATOM 359 O ASN A 253 -0.040 4.349 10.806 1.00 15.00 O ATOM 360 CB ASN A 253 2.708 4.646 9.689 1.00 15.00 C ATOM 361 CG ASN A 253 4.183 4.964 9.838 1.00 15.00 C ATOM 362 OD1 ASN A 253 5.034 4.323 9.222 1.00 15.00 O ATOM 363 ND2 ASN A 253 4.498 5.956 10.656 1.00 15.00 N ATOM 364 HA ASN A 253 2.450 3.921 11.698 1.00 0.00 H ATOM 365 HB2 ASN A 253 2.531 4.280 8.678 1.00 0.00 H ATOM 366 HB3 ASN A 253 2.137 5.560 9.848 1.00 0.00 H ATOM 367 HD22 ASN A 253 3.749 6.473 11.158 1.00 0.00 H ATOM 368 HD21 ASN A 253 5.495 6.218 10.796 1.00 0.00 H ATOM 369 H ASN A 253 3.087 1.993 9.499 1.00 0.00 H ATOM 370 N LYS A 254 0.290 2.206 10.169 1.00 15.00 N ATOM 371 CA LYS A 254 -1.134 1.878 10.059 1.00 15.00 C ATOM 372 C LYS A 254 -1.809 2.786 9.022 1.00 15.00 C ATOM 373 O LYS A 254 -2.945 3.229 9.201 1.00 15.00 O ATOM 374 CB LYS A 254 -1.804 2.027 11.437 1.00 15.00 C ATOM 375 CG LYS A 254 -3.117 1.276 11.585 1.00 15.00 C ATOM 376 CD LYS A 254 -3.796 1.579 12.913 1.00 15.00 C ATOM 377 CE LYS A 254 -2.894 1.282 14.104 1.00 15.00 C ATOM 378 NZ LYS A 254 -2.492 -0.149 14.172 1.00 15.00 N ATOM 379 HA LYS A 254 -1.243 0.846 9.726 1.00 0.00 H ATOM 380 HB2 LYS A 254 -1.113 1.656 12.194 1.00 0.00 H ATOM 381 HB3 LYS A 254 -1.996 3.086 11.610 1.00 0.00 H ATOM 382 HG2 LYS A 254 -3.784 1.567 10.773 1.00 0.00 H ATOM 383 HG3 LYS A 254 -2.920 0.206 11.525 1.00 0.00 H ATOM 384 HD2 LYS A 254 -4.070 2.634 12.935 1.00 0.00 H ATOM 385 HD3 LYS A 254 -4.696 0.970 12.994 1.00 0.00 H ATOM 386 HE2 LYS A 254 -3.427 1.539 15.019 1.00 0.00 H ATOM 387 HE3 LYS A 254 -1.996 1.894 14.024 1.00 0.00 H ATOM 388 HZ1 LYS A 254 -3.342 -0.743 14.257 1.00 0.00 H ATOM 389 HZ2 LYS A 254 -1.975 -0.404 13.307 1.00 0.00 H ATOM 390 HZ3 LYS A 254 -1.880 -0.297 15.000 1.00 0.00 H ATOM 391 H LYS A 254 0.993 1.477 9.933 1.00 0.00 H ATOM 392 N THR A 255 -1.122 3.006 7.907 1.00 15.00 N ATOM 393 CA THR A 255 -1.572 3.971 6.906 1.00 15.00 C ATOM 394 C THR A 255 -1.451 3.396 5.487 1.00 15.00 C ATOM 395 O THR A 255 -0.607 2.533 5.235 1.00 15.00 O ATOM 396 CB THR A 255 -0.783 5.300 7.010 1.00 15.00 C ATOM 397 OG1 THR A 255 -1.343 6.281 6.129 1.00 15.00 O ATOM 398 CG2 THR A 255 0.687 5.100 6.677 1.00 15.00 C ATOM 399 HA THR A 255 -2.623 4.178 7.108 1.00 0.00 H ATOM 400 HB THR A 255 -0.859 5.648 8.040 1.00 0.00 H ATOM 401 HG1 THR A 255 -0.829 7.124 6.206 1.00 0.00 H ATOM 402 HG23 THR A 255 1.112 4.353 7.348 1.00 0.00 H ATOM 403 HG21 THR A 255 0.782 4.759 5.646 1.00 0.00 H ATOM 404 HG22 THR A 255 1.218 6.044 6.799 1.00 0.00 H ATOM 405 H THR A 255 -0.241 2.478 7.742 1.00 0.00 H ATOM 406 N THR A 256 -2.320 3.835 4.578 1.00 15.00 N ATOM 407 CA THR A 256 -2.305 3.340 3.207 1.00 15.00 C ATOM 408 C THR A 256 -1.788 4.410 2.236 1.00 15.00 C ATOM 409 O THR A 256 -2.133 5.587 2.351 1.00 15.00 O ATOM 410 CB THR A 256 -3.716 2.903 2.761 1.00 15.00 C ATOM 411 OG1 THR A 256 -4.467 2.433 3.892 1.00 15.00 O ATOM 412 CG2 THR A 256 -3.629 1.793 1.723 1.00 15.00 C ATOM 413 HA THR A 256 -1.635 2.481 3.186 1.00 0.00 H ATOM 414 HB THR A 256 -4.217 3.765 2.321 1.00 0.00 H ATOM 415 HG1 THR A 256 -5.370 2.155 3.595 1.00 0.00 H ATOM 416 HG23 THR A 256 -3.060 2.145 0.863 1.00 0.00 H ATOM 417 HG21 THR A 256 -3.131 0.927 2.160 1.00 0.00 H ATOM 418 HG22 THR A 256 -4.634 1.514 1.406 1.00 0.00 H ATOM 419 H THR A 256 -3.026 4.548 4.853 1.00 0.00 H ATOM 420 N SER A 257 -0.950 3.995 1.293 1.00 15.00 N ATOM 421 CA SER A 257 -0.443 4.881 0.244 1.00 15.00 C ATOM 422 C SER A 257 -0.228 4.072 -1.034 1.00 15.00 C ATOM 423 O SER A 257 0.405 3.032 -0.992 1.00 15.00 O ATOM 424 CB SER A 257 0.867 5.532 0.696 1.00 15.00 C ATOM 425 OG SER A 257 0.693 6.233 1.918 1.00 15.00 O ATOM 426 HA SER A 257 -1.167 5.672 0.049 1.00 0.00 H ATOM 427 HB2 SER A 257 1.201 6.230 -0.071 1.00 0.00 H ATOM 428 HB3 SER A 257 1.621 4.757 0.834 1.00 0.00 H ATOM 429 HG SER A 257 0.393 5.602 2.619 1.00 0.00 H ATOM 430 H SER A 257 -0.642 3.002 1.300 1.00 0.00 H ATOM 431 N TRP A 258 -0.729 4.559 -2.162 1.00 15.00 N ATOM 432 CA TRP A 258 -0.800 3.755 -3.389 1.00 15.00 C ATOM 433 C TRP A 258 0.569 3.270 -3.883 1.00 15.00 C ATOM 434 O TRP A 258 0.750 2.087 -4.167 1.00 15.00 O ATOM 435 CB TRP A 258 -1.463 4.543 -4.524 1.00 15.00 C ATOM 436 CG TRP A 258 -2.913 4.859 -4.313 1.00 15.00 C ATOM 437 CD1 TRP A 258 -3.449 6.079 -4.029 1.00 15.00 C ATOM 438 CD2 TRP A 258 -4.016 3.948 -4.398 1.00 15.00 C ATOM 439 NE1 TRP A 258 -4.813 5.982 -3.931 1.00 15.00 N ATOM 440 CE2 TRP A 258 -5.187 4.687 -4.153 1.00 15.00 C ATOM 441 CE3 TRP A 258 -4.129 2.584 -4.658 1.00 15.00 C ATOM 442 CZ2 TRP A 258 -6.452 4.105 -4.161 1.00 15.00 C ATOM 443 CZ3 TRP A 258 -5.381 2.006 -4.665 1.00 15.00 C ATOM 444 CH2 TRP A 258 -6.528 2.765 -4.420 1.00 15.00 C ATOM 445 HA TRP A 258 -1.395 2.882 -3.123 1.00 0.00 H ATOM 446 HB2 TRP A 258 -0.925 5.484 -4.642 1.00 0.00 H ATOM 447 HB3 TRP A 258 -1.374 3.958 -5.439 1.00 0.00 H ATOM 448 HE1 TRP A 258 -5.460 6.769 -3.721 1.00 0.00 H ATOM 449 HD1 TRP A 258 -2.877 6.998 -3.899 1.00 0.00 H ATOM 450 HZ2 TRP A 258 -7.348 4.696 -3.968 1.00 0.00 H ATOM 451 HH2 TRP A 258 -7.503 2.279 -4.436 1.00 0.00 H ATOM 452 HZ3 TRP A 258 -5.477 0.939 -4.865 1.00 0.00 H ATOM 453 HE3 TRP A 258 -3.241 1.983 -4.853 1.00 0.00 H ATOM 454 H TRP A 258 -1.081 5.537 -2.178 1.00 0.00 H ATOM 455 N LEU A 259 1.525 4.178 -3.999 1.00 15.00 N ATOM 456 CA LEU A 259 2.738 3.893 -4.760 1.00 15.00 C ATOM 457 C LEU A 259 4.018 3.963 -3.944 1.00 15.00 C ATOM 458 O LEU A 259 4.070 4.575 -2.875 1.00 15.00 O ATOM 459 CB LEU A 259 2.829 4.791 -5.988 1.00 15.00 C ATOM 460 CG LEU A 259 2.059 4.264 -7.199 1.00 15.00 C ATOM 461 CD1 LEU A 259 2.241 5.183 -8.397 1.00 15.00 C ATOM 462 CD2 LEU A 259 2.523 2.850 -7.530 1.00 15.00 C ATOM 463 HA LEU A 259 2.649 2.854 -5.076 1.00 0.00 H ATOM 464 HB2 LEU A 259 2.430 5.771 -5.727 1.00 0.00 H ATOM 465 HB3 LEU A 259 3.879 4.889 -6.265 1.00 0.00 H ATOM 466 HG LEU A 259 0.997 4.239 -6.955 1.00 0.00 H ATOM 467 HD21 LEU A 259 3.589 2.863 -7.757 1.00 0.00 H ATOM 468 HD22 LEU A 259 2.340 2.199 -6.675 1.00 0.00 H ATOM 469 HD23 LEU A 259 1.970 2.480 -8.394 1.00 0.00 H ATOM 470 HD11 LEU A 259 1.870 6.178 -8.150 1.00 0.00 H ATOM 471 HD12 LEU A 259 3.299 5.241 -8.651 1.00 0.00 H ATOM 472 HD13 LEU A 259 1.684 4.786 -9.246 1.00 0.00 H ATOM 473 H LEU A 259 1.411 5.106 -3.543 1.00 0.00 H ATOM 474 N ASP A 260 5.047 3.323 -4.501 1.00 15.00 N ATOM 475 CA ASP A 260 6.347 3.147 -3.859 1.00 15.00 C ATOM 476 C ASP A 260 6.983 4.497 -3.538 1.00 15.00 C ATOM 477 O ASP A 260 7.294 5.290 -4.429 1.00 15.00 O ATOM 478 CB ASP A 260 7.256 2.350 -4.811 1.00 15.00 C ATOM 479 CG ASP A 260 8.636 2.019 -4.254 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.220 2.847 -3.528 1.00 15.00 O ATOM 481 OD2 ASP A 260 9.148 0.918 -4.565 1.00 15.00 O ATOM 482 HA ASP A 260 6.217 2.608 -2.921 1.00 0.00 H ATOM 483 HB2 ASP A 260 6.755 1.413 -5.053 1.00 0.00 H ATOM 484 HB3 ASP A 260 7.389 2.935 -5.721 1.00 0.00 H ATOM 485 H ASP A 260 4.915 2.924 -5.452 1.00 0.00 H ATOM 486 N PRO A 261 7.164 4.767 -2.239 1.00 15.00 N ATOM 487 CA PRO A 261 7.725 6.023 -1.742 1.00 15.00 C ATOM 488 C PRO A 261 9.249 6.077 -1.834 1.00 15.00 C ATOM 489 O PRO A 261 9.847 7.151 -1.771 1.00 15.00 O ATOM 490 CB PRO A 261 7.280 6.026 -0.283 1.00 15.00 C ATOM 491 CG PRO A 261 7.268 4.587 0.091 1.00 15.00 C ATOM 492 CD PRO A 261 6.817 3.851 -1.138 1.00 15.00 C ATOM 493 HA PRO A 261 7.388 6.881 -2.323 1.00 0.00 H ATOM 494 HD3 PRO A 261 7.345 2.903 -1.240 1.00 0.00 H ATOM 495 HD2 PRO A 261 5.743 3.666 -1.109 1.00 0.00 H ATOM 496 HG3 PRO A 261 6.575 4.414 0.914 1.00 0.00 H ATOM 497 HG2 PRO A 261 8.266 4.262 0.384 1.00 0.00 H ATOM 498 HB2 PRO A 261 7.984 6.582 0.336 1.00 0.00 H ATOM 499 HB3 PRO A 261 6.286 6.462 -0.181 1.00 0.00 H ATOM 500 N ARG A 262 9.876 4.914 -1.947 1.00 15.00 N ATOM 501 CA ARG A 262 11.325 4.832 -2.034 1.00 15.00 C ATOM 502 C ARG A 262 11.778 5.140 -3.464 1.00 15.00 C ATOM 503 O ARG A 262 12.942 5.448 -3.713 1.00 15.00 O ATOM 504 CB ARG A 262 11.806 3.455 -1.522 1.00 15.00 C ATOM 505 CG ARG A 262 13.295 3.171 -1.700 1.00 15.00 C ATOM 506 CD ARG A 262 13.597 2.563 -3.062 1.00 15.00 C ATOM 507 NE ARG A 262 15.028 2.360 -3.278 1.00 15.00 N ATOM 508 CZ ARG A 262 15.765 3.105 -4.104 1.00 15.00 C ATOM 509 NH1 ARG A 262 15.235 4.171 -4.694 1.00 15.00 N ATOM 510 NH2 ARG A 262 17.039 2.798 -4.307 1.00 15.00 N ATOM 511 HA ARG A 262 11.786 5.582 -1.391 1.00 0.00 H ATOM 512 HB2 ARG A 262 11.577 3.393 -0.458 1.00 0.00 H ATOM 513 HB3 ARG A 262 11.251 2.685 -2.057 1.00 0.00 H ATOM 514 HG2 ARG A 262 13.847 4.106 -1.601 1.00 0.00 H ATOM 515 HG3 ARG A 262 13.617 2.476 -0.924 1.00 0.00 H ATOM 516 HD2 ARG A 262 13.217 3.231 -3.835 1.00 0.00 H ATOM 517 HD3 ARG A 262 13.092 1.600 -3.135 1.00 0.00 H ATOM 518 HE ARG A 262 15.498 1.592 -2.759 1.00 0.00 H ATOM 519 HH12 ARG A 262 15.812 4.750 -5.337 1.00 0.00 H ATOM 520 HH11 ARG A 262 14.243 4.427 -4.512 1.00 0.00 H ATOM 521 HH22 ARG A 262 17.617 3.376 -4.950 1.00 0.00 H ATOM 522 HH21 ARG A 262 17.460 1.979 -3.823 1.00 0.00 H ATOM 523 H ARG A 262 9.317 4.038 -1.974 1.00 0.00 H ATOM 524 N LEU A 263 10.851 5.034 -4.409 1.00 15.00 N ATOM 525 CA LEU A 263 11.114 5.430 -5.791 1.00 15.00 C ATOM 526 C LEU A 263 10.997 6.941 -5.963 1.00 15.00 C ATOM 527 O LEU A 263 11.323 7.482 -7.022 1.00 15.00 O ATOM 528 CB LEU A 263 10.164 4.725 -6.762 1.00 15.00 C ATOM 529 CG LEU A 263 10.340 3.210 -6.865 1.00 15.00 C ATOM 530 CD1 LEU A 263 9.426 2.645 -7.939 1.00 15.00 C ATOM 531 CD2 LEU A 263 11.791 2.855 -7.155 1.00 15.00 C ATOM 532 HA LEU A 263 12.136 5.128 -6.022 1.00 0.00 H ATOM 533 HB2 LEU A 263 9.142 4.924 -6.438 1.00 0.00 H ATOM 534 HB3 LEU A 263 10.319 5.150 -7.754 1.00 0.00 H ATOM 535 HG LEU A 263 10.067 2.765 -5.908 1.00 0.00 H ATOM 536 HD21 LEU A 263 12.094 3.310 -8.098 1.00 0.00 H ATOM 537 HD22 LEU A 263 12.423 3.230 -6.350 1.00 0.00 H ATOM 538 HD23 LEU A 263 11.892 1.772 -7.224 1.00 0.00 H ATOM 539 HD11 LEU A 263 8.389 2.867 -7.686 1.00 0.00 H ATOM 540 HD12 LEU A 263 9.672 3.099 -8.899 1.00 0.00 H ATOM 541 HD13 LEU A 263 9.563 1.565 -8.000 1.00 0.00 H ATOM 542 H LEU A 263 9.914 4.659 -4.159 1.00 0.00 H ATOM 543 N ASP A 264 10.491 7.611 -4.932 1.00 15.00 N ATOM 544 CA ASP A 264 10.304 9.063 -4.967 1.00 15.00 C ATOM 545 C ASP A 264 11.613 9.821 -5.248 1.00 15.00 C ATOM 546 O ASP A 264 11.630 10.724 -6.082 1.00 15.00 O ATOM 547 CB ASP A 264 9.652 9.560 -3.672 1.00 15.00 C ATOM 548 CG ASP A 264 9.447 11.061 -3.647 1.00 15.00 C ATOM 549 OD1 ASP A 264 8.523 11.552 -4.331 1.00 15.00 O ATOM 550 OD2 ASP A 264 10.191 11.753 -2.923 1.00 15.00 O ATOM 551 HA ASP A 264 9.633 9.275 -5.799 1.00 0.00 H ATOM 552 HB2 ASP A 264 8.682 9.075 -3.564 1.00 0.00 H ATOM 553 HB3 ASP A 264 10.291 9.283 -2.833 1.00 0.00 H ATOM 554 H ASP A 264 10.220 7.088 -4.075 1.00 0.00 H ATOM 555 N PRO A 265 12.712 9.504 -4.536 1.00 15.00 N ATOM 556 CA PRO A 265 14.039 10.044 -4.852 1.00 15.00 C ATOM 557 C PRO A 265 14.523 9.615 -6.239 1.00 15.00 C ATOM 558 O PRO A 265 14.387 10.413 -7.192 1.00 15.00 O ATOM 559 CB PRO A 265 14.947 9.458 -3.763 1.00 15.00 C ATOM 560 CG PRO A 265 14.199 8.291 -3.218 1.00 15.00 C ATOM 561 CD PRO A 265 12.747 8.644 -3.347 1.00 15.00 C ATOM 562 HA PRO A 265 14.035 11.134 -4.872 1.00 0.00 H ATOM 563 HD3 PRO A 265 12.139 7.751 -3.493 1.00 0.00 H ATOM 564 HD2 PRO A 265 12.396 9.181 -2.466 1.00 0.00 H ATOM 565 HG3 PRO A 265 14.459 8.127 -2.172 1.00 0.00 H ATOM 566 HG2 PRO A 265 14.425 7.393 -3.792 1.00 0.00 H ATOM 567 HB2 PRO A 265 15.898 9.138 -4.189 1.00 0.00 H ATOM 568 HB3 PRO A 265 15.130 10.194 -2.980 1.00 0.00 H ATOM 569 OXT PRO A 265 15.027 8.477 -6.378 1.00 15.00 O TER 570 PRO A 265 HETATM 571 N SER A 1 -8.216 8.520 -6.174 1.00 0.24 N HETATM 572 CA SER A 1 -8.948 7.974 -5.012 1.00 0.09 C HETATM 573 C SER A 1 -8.044 7.917 -3.786 1.00 0.23 C HETATM 574 O SER A 1 -6.849 7.666 -3.910 1.00 -0.39 O HETATM 575 N SER A 1 -8.595 8.160 -2.589 1.00 -0.25 N HETATM 576 CA SER A 1 -7.888 7.884 -1.338 1.00 0.13 C HETATM 577 C SER A 1 -7.765 6.374 -1.127 1.00 0.21 C HETATM 578 O SER A 1 -8.709 5.630 -1.413 1.00 -0.39 O HETATM 579 N SER A 1 -6.615 5.891 -0.632 1.00 -0.25 N HETATM 580 CA SER A 1 -6.370 4.460 -0.489 1.00 0.13 C HETATM 581 C SER A 1 -7.229 3.845 0.610 1.00 0.21 C HETATM 582 O SER A 1 -7.349 4.406 1.703 1.00 -0.39 O HETATM 583 N SER A 1 -7.838 2.685 0.317 1.00 -0.25 N HETATM 584 CA SER A 1 -8.711 1.956 1.248 1.00 0.13 C HETATM 585 C SER A 1 -8.083 1.762 2.624 1.00 0.21 C HETATM 586 O SER A 1 -6.862 1.611 2.745 1.00 -0.39 O HETATM 587 N SER A 1 -8.921 1.756 3.675 1.00 -0.25 N HETATM 588 CA SER A 1 -8.471 1.544 5.052 1.00 0.13 C HETATM 589 C SER A 1 -7.585 0.311 5.189 1.00 0.20 C HETATM 590 O SER A 1 -7.967 -0.791 4.800 1.00 -0.39 O HETATM 591 N SER A 1 -6.411 0.521 5.765 1.00 -0.26 N HETATM 592 CA SER A 1 -5.407 -0.525 5.949 1.00 0.14 C HETATM 593 C SER A 1 -5.918 -1.669 6.843 1.00 0.21 C HETATM 594 O SER A 1 -5.290 -2.725 6.940 1.00 -0.39 O HETATM 595 N SER A 1 -7.072 -1.464 7.470 1.00 -0.26 N HETATM 596 CA SER A 1 -7.637 -2.449 8.382 1.00 0.15 C HETATM 597 C SER A 1 -7.894 -3.786 7.675 1.00 0.21 C HETATM 598 O SER A 1 -7.724 -4.855 8.270 1.00 -0.39 O HETATM 599 N SER A 1 -8.344 -3.731 6.423 1.00 -0.26 N HETATM 600 CA SER A 1 -8.503 -4.943 5.633 1.00 0.13 C HETATM 601 C SER A 1 -8.310 -4.661 4.148 1.00 0.20 C HETATM 602 O SER A 1 -8.343 -3.513 3.713 1.00 -0.39 O HETATM 603 N SER A 1 -8.130 -5.727 3.377 1.00 -0.26 N HETATM 604 CA SER A 1 -7.829 -5.621 1.958 1.00 0.14 C HETATM 605 C SER A 1 -9.123 -5.601 1.152 1.00 0.21 C HETATM 606 O SER A 1 -9.972 -6.483 1.307 1.00 -0.39 O HETATM 607 N SER A 1 -9.293 -4.591 0.290 1.00 -0.25 N HETATM 608 CA SER A 1 -10.445 -4.506 -0.609 1.00 0.13 C HETATM 609 C SER A 1 -10.466 -5.660 -1.609 1.00 0.20 C HETATM 610 O SER A 1 -9.448 -5.990 -2.218 1.00 -0.39 O HETATM 611 N SER A 1 -11.628 -6.275 -1.771 1.00 -0.26 N HETATM 612 CA SER A 1 -11.774 -7.390 -2.698 1.00 0.13 C HETATM 613 C SER A 1 -12.314 -6.887 -4.036 1.00 0.20 C HETATM 614 O SER A 1 -12.641 -7.667 -4.934 1.00 -0.39 O HETATM 615 N SER A 1 -12.382 -5.571 -4.161 1.00 -0.27 N HETATM 616 CA SER A 1 -12.888 -4.932 -5.365 1.00 0.11 C HETATM 617 C SER A 1 -11.985 -3.779 -5.771 1.00 0.06 C HETATM 618 O SER A 1 -10.813 -4.035 -6.109 1.00 -0.57 O HETATM 619 OXT SER A 1 -12.457 -2.627 -5.768 1.00 -0.57 O HETATM 620 CB SER A 1 -14.315 -4.418 -5.144 1.00 0.04 C HETATM 621 CG SER A 1 -15.346 -5.520 -5.190 1.00 0.04 C HETATM 622 OD1 SER A 1 -15.759 -5.899 -6.309 1.00 -0.57 O HETATM 623 OD2 SER A 1 -15.755 -6.012 -4.113 1.00 -0.57 O HETATM 624 H SER A 1 -14.544 -3.713 -5.943 1.00 0.05 H HETATM 625 H SER A 1 -14.357 -3.962 -4.155 1.00 0.05 H HETATM 626 H SER A 1 -12.901 -5.673 -6.164 1.00 0.07 H HETATM 627 H SER A 1 -12.069 -4.986 -3.387 1.00 0.19 H HETATM 628 CB SER A 1 -12.708 -8.446 -2.100 1.00 -0.00 C HETATM 629 CG SER A 1 -12.593 -9.808 -2.765 1.00 -0.00 C HETATM 630 SD SER A 1 -10.927 -10.496 -2.648 1.00 -0.16 S HETATM 631 CE SER A 1 -10.718 -10.600 -0.869 1.00 -0.02 C HETATM 632 H SER A 1 -10.808 -9.604 -0.435 1.00 0.03 H HETATM 633 H SER A 1 -11.487 -11.250 -0.452 1.00 0.03 H HETATM 634 H SER A 1 -9.733 -11.008 -0.643 1.00 0.03 H HETATM 635 H SER A 1 -12.834 -9.688 -3.821 1.00 0.04 H HETATM 636 H SER A 1 -13.275 -10.489 -2.256 1.00 0.04 H HETATM 637 H SER A 1 -13.730 -8.097 -2.245 1.00 0.03 H HETATM 638 H SER A 1 -12.433 -8.570 -1.053 1.00 0.03 H HETATM 639 H SER A 1 -10.799 -7.847 -2.869 1.00 0.08 H HETATM 640 H SER A 1 -12.438 -5.962 -1.236 1.00 0.19 H HETATM 641 CB SER A 1 -10.243 -3.169 -1.334 1.00 -0.01 C HETATM 642 CG SER A 1 -8.791 -2.867 -1.193 1.00 -0.03 C HETATM 643 CD SER A 1 -8.377 -3.451 0.126 1.00 0.04 C HETATM 644 H SER A 1 -7.328 -3.748 0.144 1.00 0.05 H HETATM 645 H SER A 1 -8.447 -2.734 0.944 1.00 0.05 H HETATM 646 H SER A 1 -8.604 -1.794 -1.227 1.00 0.03 H HETATM 647 H SER A 1 -8.216 -3.295 -2.014 1.00 0.03 H HETATM 648 H SER A 1 -10.862 -2.381 -0.906 1.00 0.03 H HETATM 649 H SER A 1 -10.543 -3.228 -2.380 1.00 0.03 H HETATM 650 H SER A 1 -11.392 -4.566 -0.072 1.00 0.08 H HETATM 651 CB SER A 1 -6.972 -6.814 1.494 1.00 0.02 C HETATM 652 CG SER A 1 -5.726 -7.092 2.323 1.00 -0.05 C HETATM 653 CD1 SER A 1 -5.487 -6.436 3.521 1.00 -0.07 C HETATM 654 CE1 SER A 1 -4.384 -6.715 4.286 1.00 -0.04 C HETATM 655 CZ SER A 1 -3.482 -7.663 3.861 1.00 0.08 C HETATM 656 CE2 SER A 1 -3.687 -8.331 2.673 1.00 -0.04 C HETATM 657 CD2 SER A 1 -4.806 -8.049 1.914 1.00 -0.07 C HETATM 658 H SER A 1 -4.970 -8.586 0.980 1.00 0.05 H HETATM 659 H SER A 1 -2.970 -9.078 2.334 1.00 0.05 H HETATM 660 OH SER A 1 -2.376 -7.950 4.630 1.00 -0.34 O HETATM 661 H SER A 1 -2.384 -7.401 5.417 1.00 0.25 H HETATM 662 H SER A 1 -4.222 -6.188 5.226 1.00 0.05 H HETATM 663 H SER A 1 -6.194 -5.680 3.863 1.00 0.05 H HETATM 664 H SER A 1 -6.627 -6.574 0.488 1.00 0.05 H HETATM 665 H SER A 1 -7.603 -7.699 1.578 1.00 0.05 H HETATM 666 H SER A 1 -7.275 -4.696 1.796 1.00 0.08 H HETATM 667 H SER A 1 -8.206 -6.654 3.795 1.00 0.19 H HETATM 668 CB SER A 1 -9.853 -5.613 5.863 1.00 -0.01 C HETATM 669 CG SER A 1 -9.782 -7.103 5.582 1.00 -0.02 C HETATM 670 CD SER A 1 -9.227 -7.863 6.774 1.00 0.06 C HETATM 671 NE SER A 1 -10.269 -8.200 7.737 1.00 -0.27 N HETATM 672 CZ SER A 1 -10.322 -7.738 8.986 1.00 0.29 C HETATM 673 NH1 SER A 1 -9.423 -6.861 9.424 1.00 -0.28 N HETATM 674 H SER A 1 -8.683 -6.535 8.802 1.00 0.26 H HETATM 675 H SER A 1 -9.473 -6.514 10.382 1.00 0.26 H HETATM 676 NH2 SER A 1 -11.287 -8.153 9.794 1.00 -0.28 N HETATM 677 H SER A 1 -11.981 -8.821 9.458 1.00 0.26 H HETATM 678 H SER A 1 -11.335 -7.805 10.752 1.00 0.26 H HETATM 679 H SER A 1 -11.009 -8.833 7.434 1.00 0.26 H HETATM 680 H SER A 1 -8.493 -7.229 7.272 1.00 0.07 H HETATM 681 H SER A 1 -8.784 -8.790 6.412 1.00 0.07 H HETATM 682 H SER A 1 -9.122 -7.264 4.729 1.00 0.03 H HETATM 683 H SER A 1 -10.789 -7.466 5.377 1.00 0.03 H HETATM 684 H SER A 1 -10.582 -5.166 5.188 1.00 0.03 H HETATM 685 H SER A 1 -10.140 -5.469 6.905 1.00 0.03 H HETATM 686 H SER A 1 -7.728 -5.633 5.968 1.00 0.08 H HETATM 687 H SER A 1 -8.580 -2.828 6.012 1.00 0.19 H HETATM 688 CB SER A 1 -8.940 -1.914 8.974 1.00 0.08 C HETATM 689 OG SER A 1 -8.807 -0.548 9.338 1.00 -0.39 O HETATM 690 H SER A 1 -9.636 -0.234 9.707 1.00 0.21 H HETATM 691 H SER A 1 -9.184 -2.492 9.865 1.00 0.06 H HETATM 692 H SER A 1 -9.728 -2.003 8.226 1.00 0.06 H HETATM 693 H SER A 1 -6.916 -2.626 9.180 1.00 0.08 H HETATM 694 H SER A 1 -7.576 -0.592 7.308 1.00 0.19 H HETATM 695 CB SER A 1 -4.123 0.127 6.498 1.00 0.02 C HETATM 696 CG SER A 1 -3.266 -0.744 7.389 1.00 -0.05 C HETATM 697 CD1 SER A 1 -2.474 -1.760 6.871 1.00 -0.07 C HETATM 698 CE1 SER A 1 -1.688 -2.539 7.697 1.00 -0.04 C HETATM 699 CZ SER A 1 -1.687 -2.305 9.057 1.00 0.08 C HETATM 700 CE2 SER A 1 -2.464 -1.301 9.589 1.00 -0.04 C HETATM 701 CD2 SER A 1 -3.244 -0.530 8.757 1.00 -0.07 C HETATM 702 H SER A 1 -3.856 0.265 9.183 1.00 0.05 H HETATM 703 H SER A 1 -2.462 -1.117 10.663 1.00 0.05 H HETATM 704 OH SER A 1 -0.905 -3.076 9.886 1.00 -0.34 O HETATM 705 H SER A 1 -0.429 -3.725 9.363 1.00 0.25 H HETATM 706 H SER A 1 -1.072 -3.334 7.277 1.00 0.05 H HETATM 707 H SER A 1 -2.473 -1.945 5.797 1.00 0.05 H HETATM 708 H SER A 1 -4.445 0.969 7.111 1.00 0.05 H HETATM 709 H SER A 1 -3.510 0.374 5.631 1.00 0.05 H HETATM 710 H SER A 1 -5.187 -0.993 4.989 1.00 0.08 H HETATM 711 H SER A 1 -6.197 1.461 6.097 1.00 0.19 H HETATM 712 CB SER A 1 -9.775 1.354 5.827 1.00 -0.01 C HETATM 713 CG SER A 1 -10.791 2.102 5.036 1.00 -0.03 C HETATM 714 CD SER A 1 -10.382 1.953 3.599 1.00 0.04 C HETATM 715 H SER A 1 -10.890 1.125 3.104 1.00 0.05 H HETATM 716 H SER A 1 -10.656 2.818 2.995 1.00 0.05 H HETATM 717 H SER A 1 -10.829 3.151 5.331 1.00 0.03 H HETATM 718 H SER A 1 -11.793 1.709 5.206 1.00 0.03 H HETATM 719 H SER A 1 -9.700 1.724 6.850 1.00 0.03 H HETATM 720 H SER A 1 -10.036 0.301 5.936 1.00 0.03 H HETATM 721 H SER A 1 -7.862 2.373 5.413 1.00 0.08 H HETATM 722 CB SER A 1 -8.911 0.592 0.565 1.00 -0.01 C HETATM 723 CG SER A 1 -7.922 0.555 -0.551 1.00 -0.03 C HETATM 724 CD SER A 1 -7.734 1.980 -0.962 1.00 0.04 C HETATM 725 H SER A 1 -6.790 2.159 -1.477 1.00 0.05 H HETATM 726 H SER A 1 -8.463 2.315 -1.699 1.00 0.05 H HETATM 727 H SER A 1 -8.277 -0.057 -1.380 1.00 0.03 H HETATM 728 H SER A 1 -6.982 0.101 -0.238 1.00 0.03 H HETATM 729 H SER A 1 -9.931 0.475 0.198 1.00 0.03 H HETATM 730 H SER A 1 -8.756 -0.230 1.263 1.00 0.03 H HETATM 731 H SER A 1 -9.636 2.503 1.433 1.00 0.08 H HETATM 732 CB SER A 1 -4.879 4.370 -0.135 1.00 -0.01 C HETATM 733 CG SER A 1 -4.329 5.742 -0.344 1.00 -0.03 C HETATM 734 CD SER A 1 -5.479 6.682 -0.149 1.00 0.04 C HETATM 735 H SER A 1 -5.594 7.011 0.884 1.00 0.05 H HETATM 736 H SER A 1 -5.356 7.625 -0.681 1.00 0.05 H HETATM 737 H SER A 1 -3.898 5.847 -1.339 1.00 0.03 H HETATM 738 H SER A 1 -3.522 5.955 0.357 1.00 0.03 H HETATM 739 H SER A 1 -4.366 3.638 -0.759 1.00 0.03 H HETATM 740 H SER A 1 -4.734 4.037 0.893 1.00 0.03 H HETATM 741 H SER A 1 -6.625 3.909 -1.395 1.00 0.08 H HETATM 742 CB SER A 1 -8.785 8.518 -0.270 1.00 -0.01 C HETATM 743 CG SER A 1 -10.144 8.555 -0.879 1.00 -0.03 C HETATM 744 CD SER A 1 -9.934 8.733 -2.357 1.00 0.04 C HETATM 745 H SER A 1 -10.706 8.242 -2.950 1.00 0.05 H HETATM 746 H SER A 1 -10.000 9.777 -2.664 1.00 0.05 H HETATM 747 H SER A 1 -10.739 9.369 -0.465 1.00 0.03 H HETATM 748 H SER A 1 -10.696 7.639 -0.667 1.00 0.03 H HETATM 749 H SER A 1 -8.440 9.514 0.008 1.00 0.03 H HETATM 750 H SER A 1 -8.774 7.946 0.658 1.00 0.03 H HETATM 751 H SER A 1 -6.872 8.279 -1.317 1.00 0.08 H HETATM 752 CB SER A 1 -9.431 6.562 -5.339 1.00 0.10 C HETATM 753 OG SER A 1 -10.177 6.537 -6.546 1.00 -0.39 O HETATM 754 H SER A 1 -10.466 5.639 -6.724 1.00 0.21 H HETATM 755 H SER A 1 -10.073 6.219 -4.528 1.00 0.06 H HETATM 756 H SER A 1 -8.560 5.917 -5.457 1.00 0.06 H HETATM 757 H SER A 1 -9.796 8.624 -4.797 1.00 0.11 H HETATM 758 H SER A 1 -7.892 9.463 -5.958 1.00 0.20 H HETATM 759 H SER A 1 -7.415 7.923 -6.381 1.00 0.20 H HETATM 760 H SER A 1 -8.837 8.549 -6.982 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 571 572 758 759 760 CONECT 572 571 573 752 757 CONECT 573 572 574 575 CONECT 574 573 CONECT 575 573 576 744 CONECT 576 575 577 742 751 CONECT 577 576 578 579 CONECT 578 577 CONECT 579 577 580 734 CONECT 580 579 581 732 741 CONECT 581 580 582 583 CONECT 582 581 CONECT 583 581 584 724 CONECT 584 583 585 722 731 CONECT 585 584 586 587 CONECT 586 585 CONECT 587 585 588 714 CONECT 588 587 589 712 721 CONECT 589 588 590 591 CONECT 590 589 CONECT 591 589 592 711 CONECT 592 591 593 695 710 CONECT 593 592 594 595 CONECT 594 593 CONECT 595 593 596 694 CONECT 596 595 597 688 693 CONECT 597 596 598 599 CONECT 598 597 CONECT 599 597 600 687 CONECT 600 599 601 668 686 CONECT 601 600 602 603 CONECT 602 601 CONECT 603 601 604 667 CONECT 604 603 605 651 666 CONECT 605 604 606 607 CONECT 606 605 CONECT 607 605 608 643 CONECT 608 607 609 641 650 CONECT 609 608 610 611 CONECT 610 609 CONECT 611 609 612 640 CONECT 612 611 613 628 639 CONECT 613 612 614 615 CONECT 614 613 CONECT 615 613 616 627 CONECT 616 615 617 620 626 CONECT 617 616 618 619 CONECT 618 617 CONECT 619 617 CONECT 620 616 621 624 625 CONECT 621 620 622 623 CONECT 622 621 CONECT 623 621 CONECT 624 620 CONECT 625 620 CONECT 626 616 CONECT 627 615 CONECT 628 612 629 637 638 CONECT 629 628 630 635 636 CONECT 630 629 631 CONECT 631 630 632 633 634 CONECT 632 631 CONECT 633 631 CONECT 634 631 CONECT 635 629 CONECT 636 629 CONECT 637 628 CONECT 638 628 CONECT 639 612 CONECT 640 611 CONECT 641 608 642 648 649 CONECT 642 641 643 646 647 CONECT 643 607 642 644 645 CONECT 644 643 CONECT 645 643 CONECT 646 642 CONECT 647 642 CONECT 648 641 CONECT 649 641 CONECT 650 608 CONECT 651 604 652 664 665 CONECT 652 651 653 657 CONECT 653 652 654 663 CONECT 654 653 655 662 CONECT 655 654 656 660 CONECT 656 655 657 659 CONECT 657 652 656 658 CONECT 658 657 CONECT 659 656 CONECT 660 655 661 CONECT 661 660 CONECT 662 654 CONECT 663 653 CONECT 664 651 CONECT 665 651 CONECT 666 604 CONECT 667 603 CONECT 668 600 669 684 685 CONECT 669 668 670 682 683 CONECT 670 669 671 680 681 CONECT 671 670 672 679 CONECT 672 671 673 676 CONECT 673 672 674 675 CONECT 674 673 CONECT 675 673 CONECT 676 672 677 678 CONECT 677 676 CONECT 678 676 CONECT 679 671 CONECT 680 670 CONECT 681 670 CONECT 682 669 CONECT 683 669 CONECT 684 668 CONECT 685 668 CONECT 686 600 CONECT 687 599 CONECT 688 596 689 691 692 CONECT 689 688 690 CONECT 690 689 CONECT 691 688 CONECT 692 688 CONECT 693 596 CONECT 694 595 CONECT 695 592 696 708 709 CONECT 696 695 697 701 CONECT 697 696 698 707 CONECT 698 697 699 706 CONECT 699 698 700 704 CONECT 700 699 701 703 CONECT 701 696 700 702 CONECT 702 701 CONECT 703 700 CONECT 704 699 705 CONECT 705 704 CONECT 706 698 CONECT 707 697 CONECT 708 695 CONECT 709 695 CONECT 710 592 CONECT 711 591 CONECT 712 588 713 719 720 CONECT 713 712 714 717 718 CONECT 714 587 713 715 716 CONECT 715 714 CONECT 716 714 CONECT 717 713 CONECT 718 713 CONECT 719 712 CONECT 720 712 CONECT 721 588 CONECT 722 584 723 729 730 CONECT 723 722 724 727 728 CONECT 724 583 723 725 726 CONECT 725 724 CONECT 726 724 CONECT 727 723 CONECT 728 723 CONECT 729 722 CONECT 730 722 CONECT 731 584 CONECT 732 580 733 739 740 CONECT 733 732 734 737 738 CONECT 734 579 733 735 736 CONECT 735 734 CONECT 736 734 CONECT 737 733 CONECT 738 733 CONECT 739 732 CONECT 740 732 CONECT 741 580 CONECT 742 576 743 749 750 CONECT 743 742 744 747 748 CONECT 744 575 743 745 746 CONECT 745 744 CONECT 746 744 CONECT 747 743 CONECT 748 743 CONECT 749 742 CONECT 750 742 CONECT 751 576 CONECT 752 572 753 755 756 CONECT 753 752 754 CONECT 754 753 CONECT 755 752 CONECT 756 752 CONECT 757 572 CONECT 758 571 CONECT 759 571 CONECT 760 571 MASTER 0 0 0 0 0 0 0 0 759 1 194 3 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 2ltv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2djy
RCSB PDB
PDBbind
20aa, >2DJY_2|Chain... *
2ltw
RCSB PDB
PDBbind
14aa, >2LTW_2|Chain... at 92%
2ltx
RCSB PDB
PDBbind
15aa, >2LTX_2|Chain... at 100%
2lty
RCSB PDB
PDBbind
15aa, >2LTY_2|Chain... at 100%
2ltz
RCSB PDB
PDBbind
15aa, >2LTZ_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
2ltv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Yorkie homolog
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=6.9uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Structure Vol. 20: pp. 1726-1736
Ligand Properties
Formula
C
6
4
H
9
3
N
1
5
O
1
9
S
Molecular Weight
1408.580
Exact Mass
1407.650
No. of atoms
192
No. of bonds
198
Polar Surface Area
550.62
LOGP Value
-0.89 (
Computed with XLOGP3
)
-3.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 46
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 7
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)[NH3+])CO)CCC[NH+]=C(N)N
InChI String
InChI=1S/C64H91N15O19S/c1-99-29-22-41(53(87)73-44(63(97)98)32-51(84)85)70-56(90)46-9-3-24-75(46)59(93)43(31-36-16-20-38(83)21-17-36)72-52(86)40(8-2-23-68-64(66)67)69-55(89)45(34-81)74-54(88)42(30-35-14-18-37(82)19-15-35)71-57(91)47-10-4-25-76(47)60(94)49-12-6-27-78(49)62(96)50-13-7-28-79(50)61(95)48-11-5-26-77(48)58(92)39(65)33-80/h14-21,39-50,80-83H,2-13,22-34,65H2,1H3,(H,69,89)(H,70,90)(H,71,91)(H,72,86)(H,73,87)(H,74,88)(H,84,85)(H,97,98)(H4,66,67,68)/p+2/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O15105
P46937
Entrez Gene ID
NCBI Entrez Gene ID:
4092
10413
ASD
Information of known allosteric effects of PDB entries
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