1dwd.pdb
来自「药物开发中的基于结构的从头设计代码」· PDB 代码 · 共 800 行 · 第 1/5 页
PDB
800 行
ATOM 130 HA1 GLY H 25 44.391 33.904 10.253 1.00 0.00
ATOM 131 HA2 GLY H 25 44.813 35.646 10.143 1.00 0.00
ATOM 132 N MET H 26 43.504 34.771 12.943 1.00 7.68
ATOM 133 CA MET H 26 43.605 34.756 14.397 1.00 7.96
ATOM 134 C MET H 26 44.151 33.425 14.974 1.00 10.21
ATOM 135 O MET H 26 44.701 33.398 16.084 1.00 12.81
ATOM 136 CB MET H 26 42.202 34.937 14.936 1.00 7.95
ATOM 137 CG MET H 26 42.131 35.704 16.205 1.00 10.64
ATOM 138 SD MET H 26 40.528 35.430 16.952 1.00 15.51
ATOM 139 CE MET H 26 40.136 37.111 17.492 1.00 17.62
ATOM 140 H MET H 26 42.594 34.663 12.544 1.00 0.00
ATOM 141 HA MET H 26 44.253 35.583 14.723 1.00 0.00
ATOM 142 HB2 MET H 26 41.768 33.941 15.110 1.00 0.00
ATOM 143 HB1 MET H 26 41.607 35.468 14.178 1.00 0.00
ATOM 144 HG2 MET H 26 42.264 36.776 15.998 1.00 0.00
ATOM 145 HG1 MET H 26 42.922 35.362 16.889 1.00 0.00
ATOM 146 LPD2 MET H 26 40.565 35.000 17.476 1.00 0.00
ATOM 147 LPD1 MET H 26 40.076 35.199 16.501 1.00 0.00
ATOM 148 HE3 MET H 26 40.898 37.453 18.207 1.00 0.00
ATOM 149 HE2 MET H 26 39.149 37.120 17.977 1.00 0.00
ATOM 150 HE1 MET H 26 40.123 37.782 16.621 1.00 0.00
ATOM 151 N SER H 27 43.954 32.319 14.230 1.00 9.12
ATOM 152 CA SER H 27 44.410 30.985 14.606 1.00 8.77
ATOM 153 C SER H 27 44.949 30.308 13.391 1.00 10.96
ATOM 154 O SER H 27 44.326 29.380 12.887 1.00 15.29
ATOM 155 CB SER H 27 43.325 30.079 15.141 1.00 9.15
ATOM 156 OG SER H 27 43.087 30.354 16.489 1.00 13.76
ATOM 157 H SER H 27 43.464 32.419 13.364 1.00 0.00
ATOM 158 HA SER H 27 45.199 31.087 15.366 1.00 0.00
ATOM 159 HB2 SER H 27 43.642 29.031 15.035 1.00 0.00
ATOM 160 HB1 SER H 27 42.400 30.242 14.568 1.00 0.00
ATOM 161 HG SER H 27 42.404 29.779 16.814 1.00 0.00
ATOM 162 N PRO H 28 46.086 30.766 12.900 1.00 7.25
ATOM 163 CA PRO H 28 46.662 30.198 11.705 1.00 6.28
ATOM 164 C PRO H 28 47.051 28.742 11.810 1.00 6.00
ATOM 165 O PRO H 28 47.352 28.128 10.809 1.00 6.00
ATOM 166 CB PRO H 28 47.876 31.042 11.375 1.00 6.00
ATOM 167 CG PRO H 28 48.064 32.005 12.523 1.00 6.00
ATOM 168 CD PRO H 28 47.017 31.682 13.563 1.00 6.00
ATOM 169 HA PRO H 28 45.926 30.286 10.892 1.00 0.00
ATOM 170 HB2 PRO H 28 47.709 31.596 10.440 1.00 0.00
ATOM 171 HB1 PRO H 28 48.764 30.402 11.268 1.00 0.00
ATOM 172 HG1 PRO H 28 49.070 31.885 12.953 1.00 0.00
ATOM 173 HG2 PRO H 28 47.937 33.039 12.170 1.00 0.00
ATOM 174 HD1 PRO H 28 47.478 31.198 14.437 1.00 0.00
ATOM 175 HD2 PRO H 28 46.496 32.597 13.883 1.00 0.00
ATOM 176 N TRP H 29 47.052 28.208 13.026 1.00 6.00
ATOM 177 CA TRP H 29 47.405 26.825 13.269 1.00 6.00
ATOM 178 C TRP H 29 46.185 25.920 13.341 1.00 6.28
ATOM 179 O TRP H 29 46.313 24.732 13.559 1.00 7.39
ATOM 180 CB TRP H 29 48.181 26.710 14.566 1.00 6.00
ATOM 181 CG TRP H 29 47.595 27.541 15.642 1.00 6.00
ATOM 182 CD1 TRP H 29 46.497 27.236 16.376 1.00 6.00
ATOM 183 CD2 TRP H 29 48.065 28.807 16.121 1.00 7.96
ATOM 184 NE1 TRP H 29 46.235 28.222 17.284 1.00 6.00
ATOM 185 CE2 TRP H 29 47.196 29.208 17.156 1.00 7.39
ATOM 186 CE3 TRP H 29 49.138 29.649 15.780 1.00 9.58
ATOM 187 CZ2 TRP H 29 47.394 30.425 17.844 1.00 7.68
ATOM 188 CZ3 TRP H 29 49.317 30.848 16.457 1.00 6.87
ATOM 189 CH2 TRP H 29 48.464 31.219 17.482 1.00 6.00
ATOM 190 H TRP H 29 46.799 28.783 13.804 1.00 0.00
ATOM 191 HA TRP H 29 48.043 26.482 12.441 1.00 0.00
ATOM 192 HB2 TRP H 29 49.216 27.037 14.390 1.00 0.00
ATOM 193 HB1 TRP H 29 48.178 25.658 14.889 1.00 0.00
ATOM 194 HD1 TRP H 29 45.905 26.329 16.258 1.00 0.00
ATOM 195 HE1 TRP H 29 45.452 28.230 17.953 1.00 0.00
ATOM 196 HE3 TRP H 29 49.824 29.363 14.991 1.00 0.00
ATOM 197 HZ2 TRP H 29 46.722 30.729 18.638 1.00 0.00
ATOM 198 HZ3 TRP H 29 50.136 31.502 16.179 1.00 0.00
ATOM 199 HH2 TRP H 29 48.639 32.149 18.010 1.00 0.00
ATOM 200 N GLN H 30 45.003 26.503 13.166 1.00 6.98
ATOM 201 CA GLN H 30 43.739 25.785 13.203 1.00 8.23
ATOM 202 C GLN H 30 43.535 25.009 11.945 1.00 8.26
ATOM 203 O GLN H 30 43.528 25.586 10.876 1.00 8.10
ATOM 204 CB GLN H 30 42.535 26.735 13.352 1.00 10.33
ATOM 205 CG GLN H 30 41.170 26.011 13.451 1.00 10.61
ATOM 206 CD GLN H 30 40.858 25.504 14.850 1.00 12.37
ATOM 207 OE1 GLN H 30 40.270 24.434 15.023 1.00 16.96
ATOM 208 NE2 GLN H 30 41.231 26.274 15.863 1.00 12.00
ATOM 209 H GLN H 30 44.982 27.489 13.000 1.00 0.00
ATOM 210 HA GLN H 30 43.759 25.093 14.058 1.00 0.00
ATOM 211 HB2 GLN H 30 42.510 27.402 12.477 1.00 0.00
ATOM 212 HB1 GLN H 30 42.677 27.332 14.265 1.00 0.00
ATOM 213 HG2 GLN H 30 41.179 25.153 12.763 1.00 0.00
ATOM 214 HG1 GLN H 30 40.379 26.714 13.150 1.00 0.00
ATOM 215 HE21GLN H 30 41.694 27.143 15.687 1.00 0.00
ATOM 216 HE22GLN H 30 41.049 25.986 16.803 1.00 0.00
ATOM 217 N VAL H 31 43.361 23.697 12.104 1.00 10.23
ATOM 218 CA VAL H 31 43.139 22.747 11.034 1.00 8.12
ATOM 219 C VAL H 31 41.750 22.159 11.140 1.00 8.42
ATOM 220 O VAL H 31 41.250 21.927 12.230 1.00 8.03
ATOM 221 CB VAL H 31 44.170 21.623 11.097 1.00 6.16
ATOM 222 CG1 VAL H 31 43.814 20.490 10.170 1.00 6.00
ATOM 223 CG2 VAL H 31 45.542 22.138 10.716 1.00 6.49
ATOM 224 H VAL H 31 43.386 23.340 13.038 1.00 0.00
ATOM 225 HA VAL H 31 43.236 23.268 10.070 1.00 0.00
ATOM 226 HB VAL H 31 44.204 21.241 12.128 1.00 0.00
ATOM 227 HG13VAL H 31 42.839 20.072 10.460 1.00 0.00
ATOM 228 HG12VAL H 31 44.583 19.707 10.236 1.00 0.00
ATOM 229 HG11VAL H 31 43.760 20.865 9.137 1.00 0.00
ATOM 230 HG23VAL H 31 45.515 22.528 9.688 1.00 0.00
ATOM 231 HG22VAL H 31 46.272 21.317 10.777 1.00 0.00
ATOM 232 HG21VAL H 31 45.836 22.943 11.406 1.00 0.00
ATOM 233 N MET H 32 41.134 21.933 9.982 1.00 8.48
ATOM 234 CA MET H 32 39.819 21.340 9.888 1.00 8.05
ATOM 235 C MET H 32 39.970 19.882 9.386 1.00 8.94
ATOM 236 O MET H 32 40.657 19.620 8.395 1.00 7.35
ATOM 237 CB MET H 32 38.892 22.129 8.913 1.00 9.74
ATOM 238 CG MET H 32 37.469 21.562 8.860 1.00 12.19
ATOM 239 SD MET H 32 36.399 22.179 7.507 1.00 14.78
ATOM 240 CE MET H 32 35.919 23.839 8.022 1.00 12.98
ATOM 241 H MET H 32 41.604 22.186 9.136 1.00 0.00
ATOM 242 HA MET H 32 39.358 21.336 10.887 1.00 0.00
ATOM 243 HB2 MET H 32 39.326 22.086 7.903 1.00 0.00
ATOM 244 HB1 MET H 32 38.841 23.176 9.246 1.00 0.00
ATOM 245 HG2 MET H 32 36.976 21.803 9.813 1.00 0.00
ATOM 246 HG1 MET H 32 37.547 20.470 8.754 1.00 0.00
ATOM 247 LPD2 MET H 32 35.852 21.783 7.435 1.00 0.00
ATOM 248 LPD1 MET H 32 36.742 22.200 6.921 1.00 0.00
ATOM 249 HE3 MET H 32 35.368 23.783 8.973 1.00 0.00
ATOM 250 HE2 MET H 32 35.276 24.290 7.252 1.00 0.00
ATOM 251 HE1 MET H 32 36.820 24.456 8.156 1.00 0.00
ATOM 252 N LEU H 33 39.358 18.923 10.072 1.00 12.39
ATOM 253 CA LEU H 33 39.407 17.517 9.654 1.00 15.19
ATOM 254 C LEU H 33 38.187 17.225 8.811 1.00 13.21
ATOM 255 O LEU H 33 37.098 17.107 9.324 1.00 15.24
ATOM 256 CB LEU H 33 39.404 16.546 10.843 1.00 21.59
ATOM 257 CG LEU H 33 40.768 16.026 11.261 1.00 25.03
ATOM 258 CD1 LEU H 33 40.628 15.405 12.629 1.00 25.58
ATOM 259 CD2 LEU H 33 41.158 14.905 10.311 1.00 26.76
ATOM 260 H LEU H 33 38.849 19.166 10.898 1.00 0.00
ATOM 261 HA LEU H 33 40.319 17.353 9.061 1.00 0.00
ATOM 262 HB2 LEU H 33 38.779 15.682 10.574 1.00 0.00
ATOM 263 HB1 LEU H 33 38.960 17.066 11.705 1.00 0.00
ATOM 264 HG LEU H 33 41.517 16.831 11.260 1.00 0.00
ATOM 265 HD13LEU H 33 40.285 16.167 13.344 1.00 0.00
ATOM 266 HD12LEU H 33 41.602 15.010 12.954 1.00 0.00
ATOM 267 HD11LEU H 33 39.895 14.586 12.587 1.00 0.00
ATOM 268 HD23LEU H 33 40.417 14.095 10.376 1.00 0.00
ATOM 269 HD22LEU H 33 42.150 14.518 10.588 1.00 0.00
ATOM 270 HD21LEU H 33 41.190 15.291 9.281 1.00 0.00
ATOM 271 N PHE H 34 38.375 17.121 7.528 1.00 11.71
ATOM 272 CA PHE H 34 37.297 16.867 6.599 1.00 12.46
ATOM 273 C PHE H 34 37.215 15.408 6.127 1.00 15.24
ATOM 274 O PHE H 34 38.229 14.781 5.759 1.00 16.55
ATOM 275 CB PHE H 34 37.499 17.776 5.384 1.00 13.22
ATOM 276 CG PHE H 34 36.252 18.095 4.583 1.00 14.57
ATOM 277 CD1 PHE H 34 35.241 18.893 5.135 1.00 17.71
ATOM 278 CD2 PHE H 34 36.117 17.631 3.293 1.00 12.76
ATOM 279 CE1 PHE H 34 34.078 19.215 4.404 1.00 18.38
ATOM 280 CE2 PHE H 34 34.956 17.935 2.545 1.00 15.21
ATOM 281 CZ PHE H 34 33.947 18.729 3.119 1.00 17.46
ATOM 282 H PHE H 34 39.303 17.221 7.170 1.00 0.00
ATOM 283 HA PHE H 34 36.347 17.122 7.091 1.00 0.00
ATOM 284 HB2 PHE H 34 38.216 17.284 4.710 1.00 0.00
ATOM 285 HB1 PHE H 34 37.923 18.726 5.740 1.00 0.00
ATOM 286 HD1 PHE H 34 35.355 19.271 6.145 1.00 0.00
ATOM 287 HD2 PHE H 34 36.903 17.031 2.850 1.00 0.00
ATOM 288 HE1 PHE H 34 33.302 19.832 4.843 1.00 0.00
ATOM 289 HE2 PHE H 34 34.844 17.558 1.535 1.00 0.00
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