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/
Dyna_Repo_Inria_MDPosit_Files

Tasks:
Token Classification
Modalities:
Image
Formats:
imagefolder
Size:
10K<n<100K
Tags:
chemistry
biology
medical
Synthetic
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Datasets
License:
Dataset card Data Studio Files
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  1. data/files/A000E/pocket_01.pdb +479 -0
  2. data/files/A000E/structure.pdb +0 -0
  3. data/files/A000M/pocket_01.pdb +520 -0
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  5. data/files/A000M/pocket_03.pdb +153 -0
  6. data/files/A000M/pocket_04.pdb +150 -0
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  9. data/files/A000M/pocket_07.pdb +97 -0
  10. data/files/A000M/pocket_08.pdb +88 -0
  11. data/files/A000M/pocket_09.pdb +77 -0
  12. data/files/A000M/pocket_10.pdb +65 -0
  13. data/files/A000M/structure.pdb +0 -0
  14. data/files/A000Q/pocket_01.pdb +71 -0
  15. data/files/A000Q/pocket_02.pdb +48 -0
  16. data/files/A000Q/structure.pdb +0 -0
  17. data/files/A000R/pocket_01.pdb +188 -0
  18. data/files/A000R/pocket_02.pdb +147 -0
  19. data/files/A000R/pocket_03.pdb +133 -0
  20. data/files/A000R/pocket_04.pdb +88 -0
  21. data/files/A000R/pocket_05.pdb +62 -0
  22. data/files/A000R/pocket_06.pdb +59 -0
  23. data/files/A000R/structure.pdb +0 -0
  24. data/files/A001G/pocket_01.pdb +185 -0
  25. data/files/A001G/pocket_02.pdb +145 -0
  26. data/files/A001G/pocket_03.pdb +122 -0
  27. data/files/A001G/pocket_04.pdb +116 -0
  28. data/files/A001G/pocket_05.pdb +102 -0
  29. data/files/A001G/pocket_06.pdb +65 -0
  30. data/files/A001G/structure.pdb +0 -0
  31. data/files/A001M/pocket_01.pdb +495 -0
  32. data/files/A001M/pocket_02.pdb +490 -0
  33. data/files/A001M/pocket_03.pdb +193 -0
  34. data/files/A001M/pocket_04.pdb +190 -0
  35. data/files/A001M/pocket_05.pdb +187 -0
  36. data/files/A001M/pocket_06.pdb +186 -0
  37. data/files/A001M/pocket_07.pdb +177 -0
  38. data/files/A001M/pocket_08.pdb +172 -0
  39. data/files/A001M/pocket_09.pdb +166 -0
  40. data/files/A001M/pocket_10.pdb +165 -0
  41. data/files/A001M/structure.pdb +0 -0
  42. data/files/A001T/pocket_01.pdb +1307 -0
  43. data/files/A001T/pocket_02.pdb +480 -0
  44. data/files/A001T/pocket_03.pdb +350 -0
  45. data/files/A001T/pocket_04.pdb +317 -0
  46. data/files/A001T/pocket_05.pdb +308 -0
  47. data/files/A001T/pocket_06.pdb +209 -0
  48. data/files/A001T/pocket_07.pdb +208 -0
  49. data/files/A001T/pocket_08.pdb +160 -0
  50. data/files/A001T/pocket_09.pdb +155 -0
data/files/A000E/pocket_01.pdb ADDED
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1
+ ATOM 1 C PTH 1 20.79 55.5 41.45 0.00 0.00
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72
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80
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81
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107
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108
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112
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116
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117
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118
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119
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120
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121
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122
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125
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144
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147
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148
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149
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150
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153
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154
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155
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156
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157
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158
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160
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162
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216
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218
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220
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221
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+ ATOM 226 C PTH 1 27.79 56.5 32.45 0.00 0.00
227
+ ATOM 227 C PTH 1 27.79 56.5 33.45 0.00 0.00
228
+ ATOM 228 C PTH 1 27.79 56.5 34.45 0.00 0.00
229
+ ATOM 229 C PTH 1 27.79 56.5 35.45 0.00 0.00
230
+ ATOM 230 C PTH 1 27.79 56.5 36.45 0.00 0.00
231
+ ATOM 231 C PTH 1 27.79 56.5 37.45 0.00 0.00
232
+ ATOM 232 C PTH 1 27.79 57.5 30.45 0.00 0.00
233
+ ATOM 233 C PTH 1 27.79 57.5 31.45 0.00 0.00
234
+ ATOM 234 C PTH 1 27.79 57.5 32.45 0.00 0.00
235
+ ATOM 235 C PTH 1 27.79 57.5 33.45 0.00 0.00
236
+ ATOM 236 C PTH 1 27.79 57.5 34.45 0.00 0.00
237
+ ATOM 237 C PTH 1 27.79 57.5 35.45 0.00 0.00
238
+ ATOM 238 C PTH 1 27.79 57.5 36.45 0.00 0.00
239
+ ATOM 239 C PTH 1 27.79 57.5 37.45 0.00 0.00
240
+ ATOM 240 C PTH 1 27.79 58.5 29.45 0.00 0.00
241
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242
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243
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244
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245
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246
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247
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248
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249
+ ATOM 249 C PTH 1 27.79 59.5 29.45 0.00 0.00
250
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251
+ ATOM 251 C PTH 1 27.79 59.5 31.45 0.00 0.00
252
+ ATOM 252 C PTH 1 27.79 59.5 32.45 0.00 0.00
253
+ ATOM 253 C PTH 1 27.79 59.5 33.45 0.00 0.00
254
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255
+ ATOM 255 C PTH 1 27.79 59.5 35.45 0.00 0.00
256
+ ATOM 256 C PTH 1 27.79 59.5 36.45 0.00 0.00
257
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258
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259
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260
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261
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262
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263
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264
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265
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266
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267
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268
+ ATOM 268 C PTH 1 27.79 61.5 28.45 0.00 0.00
269
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270
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271
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272
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273
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274
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275
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276
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277
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278
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279
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280
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281
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282
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283
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284
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285
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286
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287
+ ATOM 287 C PTH 1 28.79 54.5 32.45 0.00 0.00
288
+ ATOM 288 C PTH 1 28.79 54.5 33.45 0.00 0.00
289
+ ATOM 289 C PTH 1 28.79 54.5 34.45 0.00 0.00
290
+ ATOM 290 C PTH 1 28.79 54.5 35.45 0.00 0.00
291
+ ATOM 291 C PTH 1 28.79 54.5 36.45 0.00 0.00
292
+ ATOM 292 C PTH 1 28.79 55.5 29.45 0.00 0.00
293
+ ATOM 293 C PTH 1 28.79 55.5 30.45 0.00 0.00
294
+ ATOM 294 C PTH 1 28.79 55.5 31.45 0.00 0.00
295
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296
+ ATOM 296 C PTH 1 28.79 55.5 33.45 0.00 0.00
297
+ ATOM 297 C PTH 1 28.79 55.5 34.45 0.00 0.00
298
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299
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300
+ ATOM 300 C PTH 1 28.79 56.5 29.45 0.00 0.00
301
+ ATOM 301 C PTH 1 28.79 56.5 30.45 0.00 0.00
302
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303
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304
+ ATOM 304 C PTH 1 28.79 56.5 33.45 0.00 0.00
305
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306
+ ATOM 306 C PTH 1 28.79 56.5 35.45 0.00 0.00
307
+ ATOM 307 C PTH 1 28.79 56.5 36.45 0.00 0.00
308
+ ATOM 308 C PTH 1 28.79 56.5 37.45 0.00 0.00
309
+ ATOM 309 C PTH 1 28.79 57.5 30.45 0.00 0.00
310
+ ATOM 310 C PTH 1 28.79 57.5 31.45 0.00 0.00
311
+ ATOM 311 C PTH 1 28.79 57.5 32.45 0.00 0.00
312
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313
+ ATOM 313 C PTH 1 28.79 57.5 34.45 0.00 0.00
314
+ ATOM 314 C PTH 1 28.79 57.5 35.45 0.00 0.00
315
+ ATOM 315 C PTH 1 28.79 57.5 36.45 0.00 0.00
316
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317
+ ATOM 317 C PTH 1 28.79 58.5 29.45 0.00 0.00
318
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319
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320
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321
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322
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323
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324
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325
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326
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327
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328
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329
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330
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331
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332
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333
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334
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335
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336
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337
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338
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339
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340
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341
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342
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343
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344
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345
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346
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347
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348
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349
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350
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351
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352
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353
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354
+ ATOM 354 C PTH 1 28.79 62.5 31.45 0.00 0.00
355
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356
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357
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358
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359
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360
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361
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362
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363
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364
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365
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366
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367
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368
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369
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370
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371
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372
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373
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374
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375
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376
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377
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378
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379
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380
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381
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382
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383
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384
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385
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386
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387
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388
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389
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390
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391
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392
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393
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394
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395
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396
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397
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398
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399
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400
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401
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402
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403
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404
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405
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406
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407
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408
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409
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410
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411
+ ATOM 411 C PTH 1 29.79 61.5 30.45 0.00 0.00
412
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413
+ ATOM 413 C PTH 1 29.79 61.5 32.45 0.00 0.00
414
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415
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416
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417
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418
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419
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420
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421
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422
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423
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424
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425
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426
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427
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428
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429
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430
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431
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432
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433
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434
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435
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436
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437
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438
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439
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440
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441
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442
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443
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444
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445
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446
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447
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448
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449
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450
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451
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452
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453
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454
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455
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456
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457
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458
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459
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460
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461
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462
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463
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464
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465
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466
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467
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468
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469
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470
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471
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472
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473
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474
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475
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476
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477
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478
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479
+ ATOM 479 C PTH 1 33.79 62.5 33.45 0.00 0.00
data/files/A000E/structure.pdb ADDED
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data/files/A000M/pocket_01.pdb ADDED
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1
+ ATOM 1 C PTH 1 75.63 83.43 46.85 0.00 0.00
2
+ ATOM 2 C PTH 1 75.63 83.43 47.85 0.00 0.00
3
+ ATOM 3 C PTH 1 75.63 83.43 48.85 0.00 0.00
4
+ ATOM 4 C PTH 1 75.63 84.43 46.85 0.00 0.00
5
+ ATOM 5 C PTH 1 75.63 84.43 47.85 0.00 0.00
6
+ ATOM 6 C PTH 1 76.63 83.43 45.85 0.00 0.00
7
+ ATOM 7 C PTH 1 76.63 83.43 46.85 0.00 0.00
8
+ ATOM 8 C PTH 1 76.63 83.43 47.85 0.00 0.00
9
+ ATOM 9 C PTH 1 76.63 83.43 48.85 0.00 0.00
10
+ ATOM 10 C PTH 1 76.63 84.43 45.85 0.00 0.00
11
+ ATOM 11 C PTH 1 76.63 84.43 46.85 0.00 0.00
12
+ ATOM 12 C PTH 1 76.63 84.43 47.85 0.00 0.00
13
+ ATOM 13 C PTH 1 76.63 84.43 48.85 0.00 0.00
14
+ ATOM 14 C PTH 1 76.63 85.43 45.85 0.00 0.00
15
+ ATOM 15 C PTH 1 76.63 85.43 46.85 0.00 0.00
16
+ ATOM 16 C PTH 1 76.63 85.43 47.85 0.00 0.00
17
+ ATOM 17 C PTH 1 77.63 83.43 45.85 0.00 0.00
18
+ ATOM 18 C PTH 1 77.63 83.43 46.85 0.00 0.00
19
+ ATOM 19 C PTH 1 77.63 83.43 47.85 0.00 0.00
20
+ ATOM 20 C PTH 1 77.63 83.43 48.85 0.00 0.00
21
+ ATOM 21 C PTH 1 77.63 84.43 44.85 0.00 0.00
22
+ ATOM 22 C PTH 1 77.63 84.43 45.85 0.00 0.00
23
+ ATOM 23 C PTH 1 77.63 84.43 46.85 0.00 0.00
24
+ ATOM 24 C PTH 1 77.63 84.43 47.85 0.00 0.00
25
+ ATOM 25 C PTH 1 77.63 84.43 48.85 0.00 0.00
26
+ ATOM 26 C PTH 1 77.63 85.43 44.85 0.00 0.00
27
+ ATOM 27 C PTH 1 77.63 85.43 45.85 0.00 0.00
28
+ ATOM 28 C PTH 1 77.63 85.43 46.85 0.00 0.00
29
+ ATOM 29 C PTH 1 77.63 85.43 47.85 0.00 0.00
30
+ ATOM 30 C PTH 1 77.63 85.43 48.85 0.00 0.00
31
+ ATOM 31 C PTH 1 77.63 86.43 44.85 0.00 0.00
32
+ ATOM 32 C PTH 1 77.63 86.43 45.85 0.00 0.00
33
+ ATOM 33 C PTH 1 77.63 86.43 46.85 0.00 0.00
34
+ ATOM 34 C PTH 1 77.63 86.43 47.85 0.00 0.00
35
+ ATOM 35 C PTH 1 77.63 86.43 48.85 0.00 0.00
36
+ ATOM 36 C PTH 1 77.63 87.43 44.85 0.00 0.00
37
+ ATOM 37 C PTH 1 77.63 87.43 45.85 0.00 0.00
38
+ ATOM 38 C PTH 1 77.63 87.43 46.85 0.00 0.00
39
+ ATOM 39 C PTH 1 77.63 87.43 47.85 0.00 0.00
40
+ ATOM 40 C PTH 1 77.63 87.43 48.85 0.00 0.00
41
+ ATOM 41 C PTH 1 77.63 88.43 44.85 0.00 0.00
42
+ ATOM 42 C PTH 1 77.63 88.43 45.85 0.00 0.00
43
+ ATOM 43 C PTH 1 77.63 88.43 46.85 0.00 0.00
44
+ ATOM 44 C PTH 1 77.63 88.43 47.85 0.00 0.00
45
+ ATOM 45 C PTH 1 77.63 88.43 48.85 0.00 0.00
46
+ ATOM 46 C PTH 1 77.63 89.43 43.85 0.00 0.00
47
+ ATOM 47 C PTH 1 77.63 89.43 45.85 0.00 0.00
48
+ ATOM 48 C PTH 1 77.63 89.43 46.85 0.00 0.00
49
+ ATOM 49 C PTH 1 77.63 89.43 47.85 0.00 0.00
50
+ ATOM 50 C PTH 1 77.63 90.43 47.85 0.00 0.00
51
+ ATOM 51 C PTH 1 77.63 90.43 48.85 0.00 0.00
52
+ ATOM 52 C PTH 1 78.63 83.43 44.85 0.00 0.00
53
+ ATOM 53 C PTH 1 78.63 83.43 45.85 0.00 0.00
54
+ ATOM 54 C PTH 1 78.63 83.43 46.85 0.00 0.00
55
+ ATOM 55 C PTH 1 78.63 83.43 47.85 0.00 0.00
56
+ ATOM 56 C PTH 1 78.63 83.43 48.85 0.00 0.00
57
+ ATOM 57 C PTH 1 78.63 84.43 44.85 0.00 0.00
58
+ ATOM 58 C PTH 1 78.63 84.43 45.85 0.00 0.00
59
+ ATOM 59 C PTH 1 78.63 84.43 46.85 0.00 0.00
60
+ ATOM 60 C PTH 1 78.63 84.43 47.85 0.00 0.00
61
+ ATOM 61 C PTH 1 78.63 84.43 48.85 0.00 0.00
62
+ ATOM 62 C PTH 1 78.63 85.43 43.85 0.00 0.00
63
+ ATOM 63 C PTH 1 78.63 85.43 44.85 0.00 0.00
64
+ ATOM 64 C PTH 1 78.63 85.43 45.85 0.00 0.00
65
+ ATOM 65 C PTH 1 78.63 85.43 46.85 0.00 0.00
66
+ ATOM 66 C PTH 1 78.63 85.43 47.85 0.00 0.00
67
+ ATOM 67 C PTH 1 78.63 85.43 48.85 0.00 0.00
68
+ ATOM 68 C PTH 1 78.63 86.43 43.85 0.00 0.00
69
+ ATOM 69 C PTH 1 78.63 86.43 44.85 0.00 0.00
70
+ ATOM 70 C PTH 1 78.63 86.43 45.85 0.00 0.00
71
+ ATOM 71 C PTH 1 78.63 86.43 46.85 0.00 0.00
72
+ ATOM 72 C PTH 1 78.63 86.43 47.85 0.00 0.00
73
+ ATOM 73 C PTH 1 78.63 86.43 48.85 0.00 0.00
74
+ ATOM 74 C PTH 1 78.63 87.43 43.85 0.00 0.00
75
+ ATOM 75 C PTH 1 78.63 87.43 44.85 0.00 0.00
76
+ ATOM 76 C PTH 1 78.63 87.43 45.85 0.00 0.00
77
+ ATOM 77 C PTH 1 78.63 87.43 46.85 0.00 0.00
78
+ ATOM 78 C PTH 1 78.63 87.43 47.85 0.00 0.00
79
+ ATOM 79 C PTH 1 78.63 87.43 48.85 0.00 0.00
80
+ ATOM 80 C PTH 1 78.63 88.43 43.85 0.00 0.00
81
+ ATOM 81 C PTH 1 78.63 88.43 44.85 0.00 0.00
82
+ ATOM 82 C PTH 1 78.63 88.43 45.85 0.00 0.00
83
+ ATOM 83 C PTH 1 78.63 88.43 46.85 0.00 0.00
84
+ ATOM 84 C PTH 1 78.63 88.43 47.85 0.00 0.00
85
+ ATOM 85 C PTH 1 78.63 88.43 48.85 0.00 0.00
86
+ ATOM 86 C PTH 1 78.63 89.43 43.85 0.00 0.00
87
+ ATOM 87 C PTH 1 78.63 89.43 45.85 0.00 0.00
88
+ ATOM 88 C PTH 1 78.63 89.43 46.85 0.00 0.00
89
+ ATOM 89 C PTH 1 78.63 89.43 47.85 0.00 0.00
90
+ ATOM 90 C PTH 1 78.63 89.43 48.85 0.00 0.00
91
+ ATOM 91 C PTH 1 78.63 90.43 46.85 0.00 0.00
92
+ ATOM 92 C PTH 1 78.63 90.43 47.85 0.00 0.00
93
+ ATOM 93 C PTH 1 78.63 90.43 48.85 0.00 0.00
94
+ ATOM 94 C PTH 1 79.63 83.43 43.85 0.00 0.00
95
+ ATOM 95 C PTH 1 79.63 83.43 44.85 0.00 0.00
96
+ ATOM 96 C PTH 1 79.63 83.43 45.85 0.00 0.00
97
+ ATOM 97 C PTH 1 79.63 83.43 46.85 0.00 0.00
98
+ ATOM 98 C PTH 1 79.63 83.43 47.85 0.00 0.00
99
+ ATOM 99 C PTH 1 79.63 84.43 43.85 0.00 0.00
100
+ ATOM 100 C PTH 1 79.63 84.43 44.85 0.00 0.00
101
+ ATOM 101 C PTH 1 79.63 84.43 45.85 0.00 0.00
102
+ ATOM 102 C PTH 1 79.63 84.43 46.85 0.00 0.00
103
+ ATOM 103 C PTH 1 79.63 84.43 47.85 0.00 0.00
104
+ ATOM 104 C PTH 1 79.63 84.43 48.85 0.00 0.00
105
+ ATOM 105 C PTH 1 79.63 85.43 42.85 0.00 0.00
106
+ ATOM 106 C PTH 1 79.63 85.43 43.85 0.00 0.00
107
+ ATOM 107 C PTH 1 79.63 85.43 44.85 0.00 0.00
108
+ ATOM 108 C PTH 1 79.63 85.43 45.85 0.00 0.00
109
+ ATOM 109 C PTH 1 79.63 85.43 46.85 0.00 0.00
110
+ ATOM 110 C PTH 1 79.63 85.43 47.85 0.00 0.00
111
+ ATOM 111 C PTH 1 79.63 85.43 48.85 0.00 0.00
112
+ ATOM 112 C PTH 1 79.63 86.43 42.85 0.00 0.00
113
+ ATOM 113 C PTH 1 79.63 86.43 43.85 0.00 0.00
114
+ ATOM 114 C PTH 1 79.63 86.43 44.85 0.00 0.00
115
+ ATOM 115 C PTH 1 79.63 86.43 45.85 0.00 0.00
116
+ ATOM 116 C PTH 1 79.63 86.43 46.85 0.00 0.00
117
+ ATOM 117 C PTH 1 79.63 86.43 47.85 0.00 0.00
118
+ ATOM 118 C PTH 1 79.63 86.43 48.85 0.00 0.00
119
+ ATOM 119 C PTH 1 79.63 87.43 42.85 0.00 0.00
120
+ ATOM 120 C PTH 1 79.63 87.43 43.85 0.00 0.00
121
+ ATOM 121 C PTH 1 79.63 87.43 44.85 0.00 0.00
122
+ ATOM 122 C PTH 1 79.63 87.43 45.85 0.00 0.00
123
+ ATOM 123 C PTH 1 79.63 87.43 46.85 0.00 0.00
124
+ ATOM 124 C PTH 1 79.63 87.43 47.85 0.00 0.00
125
+ ATOM 125 C PTH 1 79.63 87.43 48.85 0.00 0.00
126
+ ATOM 126 C PTH 1 79.63 88.43 43.85 0.00 0.00
127
+ ATOM 127 C PTH 1 79.63 88.43 44.85 0.00 0.00
128
+ ATOM 128 C PTH 1 79.63 88.43 45.85 0.00 0.00
129
+ ATOM 129 C PTH 1 79.63 88.43 46.85 0.00 0.00
130
+ ATOM 130 C PTH 1 79.63 88.43 47.85 0.00 0.00
131
+ ATOM 131 C PTH 1 79.63 88.43 48.85 0.00 0.00
132
+ ATOM 132 C PTH 1 79.63 89.43 46.85 0.00 0.00
133
+ ATOM 133 C PTH 1 79.63 89.43 47.85 0.00 0.00
134
+ ATOM 134 C PTH 1 79.63 89.43 48.85 0.00 0.00
135
+ ATOM 135 C PTH 1 80.63 83.43 42.85 0.00 0.00
136
+ ATOM 136 C PTH 1 80.63 83.43 43.85 0.00 0.00
137
+ ATOM 137 C PTH 1 80.63 83.43 44.85 0.00 0.00
138
+ ATOM 138 C PTH 1 80.63 83.43 45.85 0.00 0.00
139
+ ATOM 139 C PTH 1 80.63 84.43 42.85 0.00 0.00
140
+ ATOM 140 C PTH 1 80.63 84.43 43.85 0.00 0.00
141
+ ATOM 141 C PTH 1 80.63 84.43 44.85 0.00 0.00
142
+ ATOM 142 C PTH 1 80.63 84.43 45.85 0.00 0.00
143
+ ATOM 143 C PTH 1 80.63 84.43 46.85 0.00 0.00
144
+ ATOM 144 C PTH 1 80.63 84.43 47.85 0.00 0.00
145
+ ATOM 145 C PTH 1 80.63 85.43 41.85 0.00 0.00
146
+ ATOM 146 C PTH 1 80.63 85.43 42.85 0.00 0.00
147
+ ATOM 147 C PTH 1 80.63 85.43 43.85 0.00 0.00
148
+ ATOM 148 C PTH 1 80.63 85.43 44.85 0.00 0.00
149
+ ATOM 149 C PTH 1 80.63 85.43 45.85 0.00 0.00
150
+ ATOM 150 C PTH 1 80.63 85.43 46.85 0.00 0.00
151
+ ATOM 151 C PTH 1 80.63 85.43 47.85 0.00 0.00
152
+ ATOM 152 C PTH 1 80.63 85.43 48.85 0.00 0.00
153
+ ATOM 153 C PTH 1 80.63 86.43 41.85 0.00 0.00
154
+ ATOM 154 C PTH 1 80.63 86.43 42.85 0.00 0.00
155
+ ATOM 155 C PTH 1 80.63 86.43 43.85 0.00 0.00
156
+ ATOM 156 C PTH 1 80.63 86.43 44.85 0.00 0.00
157
+ ATOM 157 C PTH 1 80.63 86.43 45.85 0.00 0.00
158
+ ATOM 158 C PTH 1 80.63 86.43 46.85 0.00 0.00
159
+ ATOM 159 C PTH 1 80.63 86.43 47.85 0.00 0.00
160
+ ATOM 160 C PTH 1 80.63 86.43 48.85 0.00 0.00
161
+ ATOM 161 C PTH 1 80.63 87.43 42.85 0.00 0.00
162
+ ATOM 162 C PTH 1 80.63 87.43 43.85 0.00 0.00
163
+ ATOM 163 C PTH 1 80.63 87.43 44.85 0.00 0.00
164
+ ATOM 164 C PTH 1 80.63 87.43 45.85 0.00 0.00
165
+ ATOM 165 C PTH 1 80.63 87.43 46.85 0.00 0.00
166
+ ATOM 166 C PTH 1 80.63 87.43 47.85 0.00 0.00
167
+ ATOM 167 C PTH 1 80.63 87.43 48.85 0.00 0.00
168
+ ATOM 168 C PTH 1 80.63 88.43 42.85 0.00 0.00
169
+ ATOM 169 C PTH 1 80.63 88.43 43.85 0.00 0.00
170
+ ATOM 170 C PTH 1 80.63 88.43 44.85 0.00 0.00
171
+ ATOM 171 C PTH 1 80.63 88.43 45.85 0.00 0.00
172
+ ATOM 172 C PTH 1 80.63 88.43 46.85 0.00 0.00
173
+ ATOM 173 C PTH 1 80.63 88.43 47.85 0.00 0.00
174
+ ATOM 174 C PTH 1 80.63 88.43 48.85 0.00 0.00
175
+ ATOM 175 C PTH 1 80.63 89.43 46.85 0.00 0.00
176
+ ATOM 176 C PTH 1 80.63 89.43 47.85 0.00 0.00
177
+ ATOM 177 C PTH 1 80.63 89.43 48.85 0.00 0.00
178
+ ATOM 178 C PTH 1 81.63 81.43 41.85 0.00 0.00
179
+ ATOM 179 C PTH 1 81.63 82.43 41.85 0.00 0.00
180
+ ATOM 180 C PTH 1 81.63 82.43 42.85 0.00 0.00
181
+ ATOM 181 C PTH 1 81.63 82.43 43.85 0.00 0.00
182
+ ATOM 182 C PTH 1 81.63 82.43 44.85 0.00 0.00
183
+ ATOM 183 C PTH 1 81.63 83.43 41.85 0.00 0.00
184
+ ATOM 184 C PTH 1 81.63 83.43 42.85 0.00 0.00
185
+ ATOM 185 C PTH 1 81.63 83.43 43.85 0.00 0.00
186
+ ATOM 186 C PTH 1 81.63 83.43 44.85 0.00 0.00
187
+ ATOM 187 C PTH 1 81.63 83.43 45.85 0.00 0.00
188
+ ATOM 188 C PTH 1 81.63 84.43 41.85 0.00 0.00
189
+ ATOM 189 C PTH 1 81.63 84.43 42.85 0.00 0.00
190
+ ATOM 190 C PTH 1 81.63 84.43 43.85 0.00 0.00
191
+ ATOM 191 C PTH 1 81.63 84.43 44.85 0.00 0.00
192
+ ATOM 192 C PTH 1 81.63 84.43 45.85 0.00 0.00
193
+ ATOM 193 C PTH 1 81.63 84.43 46.85 0.00 0.00
194
+ ATOM 194 C PTH 1 81.63 85.43 41.85 0.00 0.00
195
+ ATOM 195 C PTH 1 81.63 85.43 42.85 0.00 0.00
196
+ ATOM 196 C PTH 1 81.63 85.43 43.85 0.00 0.00
197
+ ATOM 197 C PTH 1 81.63 85.43 44.85 0.00 0.00
198
+ ATOM 198 C PTH 1 81.63 85.43 45.85 0.00 0.00
199
+ ATOM 199 C PTH 1 81.63 85.43 46.85 0.00 0.00
200
+ ATOM 200 C PTH 1 81.63 85.43 47.85 0.00 0.00
201
+ ATOM 201 C PTH 1 81.63 86.43 41.85 0.00 0.00
202
+ ATOM 202 C PTH 1 81.63 86.43 42.85 0.00 0.00
203
+ ATOM 203 C PTH 1 81.63 86.43 43.85 0.00 0.00
204
+ ATOM 204 C PTH 1 81.63 86.43 44.85 0.00 0.00
205
+ ATOM 205 C PTH 1 81.63 86.43 45.85 0.00 0.00
206
+ ATOM 206 C PTH 1 81.63 86.43 46.85 0.00 0.00
207
+ ATOM 207 C PTH 1 81.63 86.43 47.85 0.00 0.00
208
+ ATOM 208 C PTH 1 81.63 86.43 48.85 0.00 0.00
209
+ ATOM 209 C PTH 1 81.63 87.43 41.85 0.00 0.00
210
+ ATOM 210 C PTH 1 81.63 87.43 42.85 0.00 0.00
211
+ ATOM 211 C PTH 1 81.63 87.43 43.85 0.00 0.00
212
+ ATOM 212 C PTH 1 81.63 87.43 44.85 0.00 0.00
213
+ ATOM 213 C PTH 1 81.63 87.43 45.85 0.00 0.00
214
+ ATOM 214 C PTH 1 81.63 87.43 46.85 0.00 0.00
215
+ ATOM 215 C PTH 1 81.63 87.43 47.85 0.00 0.00
216
+ ATOM 216 C PTH 1 81.63 87.43 48.85 0.00 0.00
217
+ ATOM 217 C PTH 1 81.63 88.43 41.85 0.00 0.00
218
+ ATOM 218 C PTH 1 81.63 88.43 42.85 0.00 0.00
219
+ ATOM 219 C PTH 1 81.63 88.43 43.85 0.00 0.00
220
+ ATOM 220 C PTH 1 81.63 88.43 44.85 0.00 0.00
221
+ ATOM 221 C PTH 1 81.63 88.43 45.85 0.00 0.00
222
+ ATOM 222 C PTH 1 81.63 88.43 46.85 0.00 0.00
223
+ ATOM 223 C PTH 1 81.63 88.43 47.85 0.00 0.00
224
+ ATOM 224 C PTH 1 81.63 88.43 48.85 0.00 0.00
225
+ ATOM 225 C PTH 1 81.63 89.43 47.85 0.00 0.00
226
+ ATOM 226 C PTH 1 81.63 89.43 48.85 0.00 0.00
227
+ ATOM 227 C PTH 1 82.63 80.43 41.85 0.00 0.00
228
+ ATOM 228 C PTH 1 82.63 81.43 41.85 0.00 0.00
229
+ ATOM 229 C PTH 1 82.63 81.43 42.85 0.00 0.00
230
+ ATOM 230 C PTH 1 82.63 81.43 43.85 0.00 0.00
231
+ ATOM 231 C PTH 1 82.63 82.43 41.85 0.00 0.00
232
+ ATOM 232 C PTH 1 82.63 82.43 42.85 0.00 0.00
233
+ ATOM 233 C PTH 1 82.63 82.43 43.85 0.00 0.00
234
+ ATOM 234 C PTH 1 82.63 82.43 44.85 0.00 0.00
235
+ ATOM 235 C PTH 1 82.63 83.43 41.85 0.00 0.00
236
+ ATOM 236 C PTH 1 82.63 83.43 42.85 0.00 0.00
237
+ ATOM 237 C PTH 1 82.63 83.43 43.85 0.00 0.00
238
+ ATOM 238 C PTH 1 82.63 83.43 44.85 0.00 0.00
239
+ ATOM 239 C PTH 1 82.63 83.43 45.85 0.00 0.00
240
+ ATOM 240 C PTH 1 82.63 84.43 41.85 0.00 0.00
241
+ ATOM 241 C PTH 1 82.63 84.43 42.85 0.00 0.00
242
+ ATOM 242 C PTH 1 82.63 84.43 43.85 0.00 0.00
243
+ ATOM 243 C PTH 1 82.63 84.43 44.85 0.00 0.00
244
+ ATOM 244 C PTH 1 82.63 84.43 45.85 0.00 0.00
245
+ ATOM 245 C PTH 1 82.63 85.43 41.85 0.00 0.00
246
+ ATOM 246 C PTH 1 82.63 85.43 42.85 0.00 0.00
247
+ ATOM 247 C PTH 1 82.63 85.43 43.85 0.00 0.00
248
+ ATOM 248 C PTH 1 82.63 85.43 44.85 0.00 0.00
249
+ ATOM 249 C PTH 1 82.63 85.43 45.85 0.00 0.00
250
+ ATOM 250 C PTH 1 82.63 85.43 46.85 0.00 0.00
251
+ ATOM 251 C PTH 1 82.63 86.43 41.85 0.00 0.00
252
+ ATOM 252 C PTH 1 82.63 86.43 42.85 0.00 0.00
253
+ ATOM 253 C PTH 1 82.63 86.43 43.85 0.00 0.00
254
+ ATOM 254 C PTH 1 82.63 86.43 44.85 0.00 0.00
255
+ ATOM 255 C PTH 1 82.63 86.43 45.85 0.00 0.00
256
+ ATOM 256 C PTH 1 82.63 86.43 46.85 0.00 0.00
257
+ ATOM 257 C PTH 1 82.63 87.43 41.85 0.00 0.00
258
+ ATOM 258 C PTH 1 82.63 87.43 42.85 0.00 0.00
259
+ ATOM 259 C PTH 1 82.63 87.43 43.85 0.00 0.00
260
+ ATOM 260 C PTH 1 82.63 87.43 44.85 0.00 0.00
261
+ ATOM 261 C PTH 1 82.63 87.43 45.85 0.00 0.00
262
+ ATOM 262 C PTH 1 82.63 87.43 46.85 0.00 0.00
263
+ ATOM 263 C PTH 1 82.63 88.43 41.85 0.00 0.00
264
+ ATOM 264 C PTH 1 82.63 88.43 42.85 0.00 0.00
265
+ ATOM 265 C PTH 1 82.63 88.43 43.85 0.00 0.00
266
+ ATOM 266 C PTH 1 82.63 88.43 44.85 0.00 0.00
267
+ ATOM 267 C PTH 1 82.63 88.43 45.85 0.00 0.00
268
+ ATOM 268 C PTH 1 82.63 88.43 46.85 0.00 0.00
269
+ ATOM 269 C PTH 1 82.63 88.43 47.85 0.00 0.00
270
+ ATOM 270 C PTH 1 82.63 88.43 48.85 0.00 0.00
271
+ ATOM 271 C PTH 1 82.63 89.43 42.85 0.00 0.00
272
+ ATOM 272 C PTH 1 82.63 89.43 47.85 0.00 0.00
273
+ ATOM 273 C PTH 1 82.63 89.43 48.85 0.00 0.00
274
+ ATOM 274 C PTH 1 83.63 79.43 40.85 0.00 0.00
275
+ ATOM 275 C PTH 1 83.63 79.43 41.85 0.00 0.00
276
+ ATOM 276 C PTH 1 83.63 79.43 42.85 0.00 0.00
277
+ ATOM 277 C PTH 1 83.63 80.43 41.85 0.00 0.00
278
+ ATOM 278 C PTH 1 83.63 80.43 42.85 0.00 0.00
279
+ ATOM 279 C PTH 1 83.63 80.43 43.85 0.00 0.00
280
+ ATOM 280 C PTH 1 83.63 81.43 41.85 0.00 0.00
281
+ ATOM 281 C PTH 1 83.63 81.43 42.85 0.00 0.00
282
+ ATOM 282 C PTH 1 83.63 81.43 43.85 0.00 0.00
283
+ ATOM 283 C PTH 1 83.63 82.43 41.85 0.00 0.00
284
+ ATOM 284 C PTH 1 83.63 82.43 42.85 0.00 0.00
285
+ ATOM 285 C PTH 1 83.63 82.43 43.85 0.00 0.00
286
+ ATOM 286 C PTH 1 83.63 82.43 44.85 0.00 0.00
287
+ ATOM 287 C PTH 1 83.63 83.43 41.85 0.00 0.00
288
+ ATOM 288 C PTH 1 83.63 83.43 42.85 0.00 0.00
289
+ ATOM 289 C PTH 1 83.63 83.43 43.85 0.00 0.00
290
+ ATOM 290 C PTH 1 83.63 83.43 44.85 0.00 0.00
291
+ ATOM 291 C PTH 1 83.63 83.43 45.85 0.00 0.00
292
+ ATOM 292 C PTH 1 83.63 84.43 41.85 0.00 0.00
293
+ ATOM 293 C PTH 1 83.63 84.43 42.85 0.00 0.00
294
+ ATOM 294 C PTH 1 83.63 84.43 43.85 0.00 0.00
295
+ ATOM 295 C PTH 1 83.63 84.43 44.85 0.00 0.00
296
+ ATOM 296 C PTH 1 83.63 84.43 45.85 0.00 0.00
297
+ ATOM 297 C PTH 1 83.63 85.43 41.85 0.00 0.00
298
+ ATOM 298 C PTH 1 83.63 85.43 42.85 0.00 0.00
299
+ ATOM 299 C PTH 1 83.63 85.43 43.85 0.00 0.00
300
+ ATOM 300 C PTH 1 83.63 85.43 44.85 0.00 0.00
301
+ ATOM 301 C PTH 1 83.63 85.43 45.85 0.00 0.00
302
+ ATOM 302 C PTH 1 83.63 86.43 41.85 0.00 0.00
303
+ ATOM 303 C PTH 1 83.63 86.43 42.85 0.00 0.00
304
+ ATOM 304 C PTH 1 83.63 86.43 43.85 0.00 0.00
305
+ ATOM 305 C PTH 1 83.63 86.43 44.85 0.00 0.00
306
+ ATOM 306 C PTH 1 83.63 86.43 45.85 0.00 0.00
307
+ ATOM 307 C PTH 1 83.63 86.43 46.85 0.00 0.00
308
+ ATOM 308 C PTH 1 83.63 87.43 41.85 0.00 0.00
309
+ ATOM 309 C PTH 1 83.63 87.43 42.85 0.00 0.00
310
+ ATOM 310 C PTH 1 83.63 87.43 43.85 0.00 0.00
311
+ ATOM 311 C PTH 1 83.63 87.43 44.85 0.00 0.00
312
+ ATOM 312 C PTH 1 83.63 87.43 45.85 0.00 0.00
313
+ ATOM 313 C PTH 1 83.63 87.43 46.85 0.00 0.00
314
+ ATOM 314 C PTH 1 83.63 88.43 42.85 0.00 0.00
315
+ ATOM 315 C PTH 1 83.63 88.43 43.85 0.00 0.00
316
+ ATOM 316 C PTH 1 83.63 88.43 44.85 0.00 0.00
317
+ ATOM 317 C PTH 1 83.63 88.43 45.85 0.00 0.00
318
+ ATOM 318 C PTH 1 83.63 88.43 46.85 0.00 0.00
319
+ ATOM 319 C PTH 1 83.63 88.43 47.85 0.00 0.00
320
+ ATOM 320 C PTH 1 84.63 78.43 40.85 0.00 0.00
321
+ ATOM 321 C PTH 1 84.63 78.43 41.85 0.00 0.00
322
+ ATOM 322 C PTH 1 84.63 78.43 42.85 0.00 0.00
323
+ ATOM 323 C PTH 1 84.63 78.43 43.85 0.00 0.00
324
+ ATOM 324 C PTH 1 84.63 79.43 40.85 0.00 0.00
325
+ ATOM 325 C PTH 1 84.63 79.43 41.85 0.00 0.00
326
+ ATOM 326 C PTH 1 84.63 79.43 42.85 0.00 0.00
327
+ ATOM 327 C PTH 1 84.63 79.43 43.85 0.00 0.00
328
+ ATOM 328 C PTH 1 84.63 80.43 40.85 0.00 0.00
329
+ ATOM 329 C PTH 1 84.63 80.43 41.85 0.00 0.00
330
+ ATOM 330 C PTH 1 84.63 80.43 42.85 0.00 0.00
331
+ ATOM 331 C PTH 1 84.63 80.43 43.85 0.00 0.00
332
+ ATOM 332 C PTH 1 84.63 81.43 41.85 0.00 0.00
333
+ ATOM 333 C PTH 1 84.63 81.43 42.85 0.00 0.00
334
+ ATOM 334 C PTH 1 84.63 81.43 43.85 0.00 0.00
335
+ ATOM 335 C PTH 1 84.63 81.43 44.85 0.00 0.00
336
+ ATOM 336 C PTH 1 84.63 82.43 41.85 0.00 0.00
337
+ ATOM 337 C PTH 1 84.63 82.43 42.85 0.00 0.00
338
+ ATOM 338 C PTH 1 84.63 82.43 43.85 0.00 0.00
339
+ ATOM 339 C PTH 1 84.63 82.43 44.85 0.00 0.00
340
+ ATOM 340 C PTH 1 84.63 83.43 41.85 0.00 0.00
341
+ ATOM 341 C PTH 1 84.63 83.43 42.85 0.00 0.00
342
+ ATOM 342 C PTH 1 84.63 83.43 43.85 0.00 0.00
343
+ ATOM 343 C PTH 1 84.63 83.43 44.85 0.00 0.00
344
+ ATOM 344 C PTH 1 84.63 84.43 41.85 0.00 0.00
345
+ ATOM 345 C PTH 1 84.63 84.43 42.85 0.00 0.00
346
+ ATOM 346 C PTH 1 84.63 84.43 43.85 0.00 0.00
347
+ ATOM 347 C PTH 1 84.63 84.43 44.85 0.00 0.00
348
+ ATOM 348 C PTH 1 84.63 85.43 41.85 0.00 0.00
349
+ ATOM 349 C PTH 1 84.63 85.43 42.85 0.00 0.00
350
+ ATOM 350 C PTH 1 84.63 85.43 43.85 0.00 0.00
351
+ ATOM 351 C PTH 1 84.63 85.43 44.85 0.00 0.00
352
+ ATOM 352 C PTH 1 84.63 85.43 45.85 0.00 0.00
353
+ ATOM 353 C PTH 1 84.63 86.43 42.85 0.00 0.00
354
+ ATOM 354 C PTH 1 84.63 86.43 43.85 0.00 0.00
355
+ ATOM 355 C PTH 1 84.63 86.43 44.85 0.00 0.00
356
+ ATOM 356 C PTH 1 84.63 86.43 45.85 0.00 0.00
357
+ ATOM 357 C PTH 1 84.63 87.43 44.85 0.00 0.00
358
+ ATOM 358 C PTH 1 84.63 87.43 45.85 0.00 0.00
359
+ ATOM 359 C PTH 1 85.63 78.43 40.85 0.00 0.00
360
+ ATOM 360 C PTH 1 85.63 78.43 41.85 0.00 0.00
361
+ ATOM 361 C PTH 1 85.63 78.43 42.85 0.00 0.00
362
+ ATOM 362 C PTH 1 85.63 78.43 43.85 0.00 0.00
363
+ ATOM 363 C PTH 1 85.63 79.43 40.85 0.00 0.00
364
+ ATOM 364 C PTH 1 85.63 79.43 41.85 0.00 0.00
365
+ ATOM 365 C PTH 1 85.63 79.43 42.85 0.00 0.00
366
+ ATOM 366 C PTH 1 85.63 79.43 43.85 0.00 0.00
367
+ ATOM 367 C PTH 1 85.63 80.43 40.85 0.00 0.00
368
+ ATOM 368 C PTH 1 85.63 80.43 41.85 0.00 0.00
369
+ ATOM 369 C PTH 1 85.63 80.43 42.85 0.00 0.00
370
+ ATOM 370 C PTH 1 85.63 80.43 43.85 0.00 0.00
371
+ ATOM 371 C PTH 1 85.63 80.43 44.85 0.00 0.00
372
+ ATOM 372 C PTH 1 85.63 81.43 41.85 0.00 0.00
373
+ ATOM 373 C PTH 1 85.63 81.43 42.85 0.00 0.00
374
+ ATOM 374 C PTH 1 85.63 81.43 43.85 0.00 0.00
375
+ ATOM 375 C PTH 1 85.63 81.43 44.85 0.00 0.00
376
+ ATOM 376 C PTH 1 85.63 82.43 41.85 0.00 0.00
377
+ ATOM 377 C PTH 1 85.63 82.43 42.85 0.00 0.00
378
+ ATOM 378 C PTH 1 85.63 82.43 43.85 0.00 0.00
379
+ ATOM 379 C PTH 1 85.63 82.43 44.85 0.00 0.00
380
+ ATOM 380 C PTH 1 85.63 83.43 41.85 0.00 0.00
381
+ ATOM 381 C PTH 1 85.63 83.43 42.85 0.00 0.00
382
+ ATOM 382 C PTH 1 85.63 83.43 43.85 0.00 0.00
383
+ ATOM 383 C PTH 1 85.63 83.43 44.85 0.00 0.00
384
+ ATOM 384 C PTH 1 85.63 84.43 41.85 0.00 0.00
385
+ ATOM 385 C PTH 1 85.63 84.43 42.85 0.00 0.00
386
+ ATOM 386 C PTH 1 85.63 84.43 43.85 0.00 0.00
387
+ ATOM 387 C PTH 1 85.63 84.43 44.85 0.00 0.00
388
+ ATOM 388 C PTH 1 85.63 85.43 41.85 0.00 0.00
389
+ ATOM 389 C PTH 1 85.63 85.43 42.85 0.00 0.00
390
+ ATOM 390 C PTH 1 85.63 85.43 43.85 0.00 0.00
391
+ ATOM 391 C PTH 1 85.63 85.43 44.85 0.00 0.00
392
+ ATOM 392 C PTH 1 86.63 78.43 41.85 0.00 0.00
393
+ ATOM 393 C PTH 1 86.63 78.43 42.85 0.00 0.00
394
+ ATOM 394 C PTH 1 86.63 79.43 40.85 0.00 0.00
395
+ ATOM 395 C PTH 1 86.63 79.43 41.85 0.00 0.00
396
+ ATOM 396 C PTH 1 86.63 79.43 42.85 0.00 0.00
397
+ ATOM 397 C PTH 1 86.63 79.43 43.85 0.00 0.00
398
+ ATOM 398 C PTH 1 86.63 80.43 40.85 0.00 0.00
399
+ ATOM 399 C PTH 1 86.63 80.43 41.85 0.00 0.00
400
+ ATOM 400 C PTH 1 86.63 80.43 42.85 0.00 0.00
401
+ ATOM 401 C PTH 1 86.63 80.43 43.85 0.00 0.00
402
+ ATOM 402 C PTH 1 86.63 80.43 44.85 0.00 0.00
403
+ ATOM 403 C PTH 1 86.63 81.43 40.85 0.00 0.00
404
+ ATOM 404 C PTH 1 86.63 81.43 41.85 0.00 0.00
405
+ ATOM 405 C PTH 1 86.63 81.43 42.85 0.00 0.00
406
+ ATOM 406 C PTH 1 86.63 81.43 43.85 0.00 0.00
407
+ ATOM 407 C PTH 1 86.63 81.43 44.85 0.00 0.00
408
+ ATOM 408 C PTH 1 86.63 82.43 40.85 0.00 0.00
409
+ ATOM 409 C PTH 1 86.63 82.43 41.85 0.00 0.00
410
+ ATOM 410 C PTH 1 86.63 82.43 42.85 0.00 0.00
411
+ ATOM 411 C PTH 1 86.63 82.43 43.85 0.00 0.00
412
+ ATOM 412 C PTH 1 86.63 82.43 44.85 0.00 0.00
413
+ ATOM 413 C PTH 1 86.63 83.43 41.85 0.00 0.00
414
+ ATOM 414 C PTH 1 86.63 83.43 42.85 0.00 0.00
415
+ ATOM 415 C PTH 1 86.63 83.43 43.85 0.00 0.00
416
+ ATOM 416 C PTH 1 86.63 83.43 44.85 0.00 0.00
417
+ ATOM 417 C PTH 1 86.63 84.43 41.85 0.00 0.00
418
+ ATOM 418 C PTH 1 86.63 84.43 42.85 0.00 0.00
419
+ ATOM 419 C PTH 1 86.63 84.43 43.85 0.00 0.00
420
+ ATOM 420 C PTH 1 86.63 84.43 44.85 0.00 0.00
421
+ ATOM 421 C PTH 1 86.63 85.43 41.85 0.00 0.00
422
+ ATOM 422 C PTH 1 86.63 85.43 42.85 0.00 0.00
423
+ ATOM 423 C PTH 1 86.63 85.43 43.85 0.00 0.00
424
+ ATOM 424 C PTH 1 86.63 85.43 44.85 0.00 0.00
425
+ ATOM 425 C PTH 1 87.63 79.43 43.85 0.00 0.00
426
+ ATOM 426 C PTH 1 87.63 80.43 41.85 0.00 0.00
427
+ ATOM 427 C PTH 1 87.63 80.43 42.85 0.00 0.00
428
+ ATOM 428 C PTH 1 87.63 80.43 43.85 0.00 0.00
429
+ ATOM 429 C PTH 1 87.63 81.43 41.85 0.00 0.00
430
+ ATOM 430 C PTH 1 87.63 81.43 42.85 0.00 0.00
431
+ ATOM 431 C PTH 1 87.63 81.43 43.85 0.00 0.00
432
+ ATOM 432 C PTH 1 87.63 81.43 44.85 0.00 0.00
433
+ ATOM 433 C PTH 1 87.63 82.43 40.85 0.00 0.00
434
+ ATOM 434 C PTH 1 87.63 82.43 41.85 0.00 0.00
435
+ ATOM 435 C PTH 1 87.63 82.43 42.85 0.00 0.00
436
+ ATOM 436 C PTH 1 87.63 82.43 43.85 0.00 0.00
437
+ ATOM 437 C PTH 1 87.63 82.43 44.85 0.00 0.00
438
+ ATOM 438 C PTH 1 87.63 83.43 40.85 0.00 0.00
439
+ ATOM 439 C PTH 1 87.63 83.43 41.85 0.00 0.00
440
+ ATOM 440 C PTH 1 87.63 83.43 42.85 0.00 0.00
441
+ ATOM 441 C PTH 1 87.63 83.43 43.85 0.00 0.00
442
+ ATOM 442 C PTH 1 87.63 83.43 44.85 0.00 0.00
443
+ ATOM 443 C PTH 1 87.63 83.43 45.85 0.00 0.00
444
+ ATOM 444 C PTH 1 87.63 84.43 40.85 0.00 0.00
445
+ ATOM 445 C PTH 1 87.63 84.43 41.85 0.00 0.00
446
+ ATOM 446 C PTH 1 87.63 84.43 42.85 0.00 0.00
447
+ ATOM 447 C PTH 1 87.63 84.43 43.85 0.00 0.00
448
+ ATOM 448 C PTH 1 87.63 84.43 44.85 0.00 0.00
449
+ ATOM 449 C PTH 1 87.63 84.43 45.85 0.00 0.00
450
+ ATOM 450 C PTH 1 87.63 85.43 40.85 0.00 0.00
451
+ ATOM 451 C PTH 1 87.63 85.43 41.85 0.00 0.00
452
+ ATOM 452 C PTH 1 87.63 85.43 42.85 0.00 0.00
453
+ ATOM 453 C PTH 1 87.63 85.43 43.85 0.00 0.00
454
+ ATOM 454 C PTH 1 87.63 85.43 44.85 0.00 0.00
455
+ ATOM 455 C PTH 1 88.63 80.43 41.85 0.00 0.00
456
+ ATOM 456 C PTH 1 88.63 80.43 42.85 0.00 0.00
457
+ ATOM 457 C PTH 1 88.63 80.43 43.85 0.00 0.00
458
+ ATOM 458 C PTH 1 88.63 81.43 40.85 0.00 0.00
459
+ ATOM 459 C PTH 1 88.63 81.43 41.85 0.00 0.00
460
+ ATOM 460 C PTH 1 88.63 81.43 42.85 0.00 0.00
461
+ ATOM 461 C PTH 1 88.63 81.43 43.85 0.00 0.00
462
+ ATOM 462 C PTH 1 88.63 81.43 44.85 0.00 0.00
463
+ ATOM 463 C PTH 1 88.63 82.43 40.85 0.00 0.00
464
+ ATOM 464 C PTH 1 88.63 82.43 41.85 0.00 0.00
465
+ ATOM 465 C PTH 1 88.63 82.43 42.85 0.00 0.00
466
+ ATOM 466 C PTH 1 88.63 82.43 43.85 0.00 0.00
467
+ ATOM 467 C PTH 1 88.63 82.43 44.85 0.00 0.00
468
+ ATOM 468 C PTH 1 88.63 83.43 40.85 0.00 0.00
469
+ ATOM 469 C PTH 1 88.63 83.43 41.85 0.00 0.00
470
+ ATOM 470 C PTH 1 88.63 83.43 42.85 0.00 0.00
471
+ ATOM 471 C PTH 1 88.63 83.43 43.85 0.00 0.00
472
+ ATOM 472 C PTH 1 88.63 83.43 44.85 0.00 0.00
473
+ ATOM 473 C PTH 1 88.63 84.43 39.85 0.00 0.00
474
+ ATOM 474 C PTH 1 88.63 84.43 40.85 0.00 0.00
475
+ ATOM 475 C PTH 1 88.63 84.43 41.85 0.00 0.00
476
+ ATOM 476 C PTH 1 88.63 84.43 42.85 0.00 0.00
477
+ ATOM 477 C PTH 1 88.63 84.43 43.85 0.00 0.00
478
+ ATOM 478 C PTH 1 88.63 84.43 44.85 0.00 0.00
479
+ ATOM 479 C PTH 1 88.63 85.43 40.85 0.00 0.00
480
+ ATOM 480 C PTH 1 88.63 85.43 41.85 0.00 0.00
481
+ ATOM 481 C PTH 1 88.63 85.43 42.85 0.00 0.00
482
+ ATOM 482 C PTH 1 88.63 85.43 43.85 0.00 0.00
483
+ ATOM 483 C PTH 1 88.63 86.43 40.85 0.00 0.00
484
+ ATOM 484 C PTH 1 88.63 86.43 41.85 0.00 0.00
485
+ ATOM 485 C PTH 1 89.63 80.43 42.85 0.00 0.00
486
+ ATOM 486 C PTH 1 89.63 80.43 43.85 0.00 0.00
487
+ ATOM 487 C PTH 1 89.63 81.43 41.85 0.00 0.00
488
+ ATOM 488 C PTH 1 89.63 81.43 42.85 0.00 0.00
489
+ ATOM 489 C PTH 1 89.63 81.43 43.85 0.00 0.00
490
+ ATOM 490 C PTH 1 89.63 81.43 44.85 0.00 0.00
491
+ ATOM 491 C PTH 1 89.63 82.43 40.85 0.00 0.00
492
+ ATOM 492 C PTH 1 89.63 82.43 41.85 0.00 0.00
493
+ ATOM 493 C PTH 1 89.63 82.43 42.85 0.00 0.00
494
+ ATOM 494 C PTH 1 89.63 82.43 43.85 0.00 0.00
495
+ ATOM 495 C PTH 1 89.63 82.43 44.85 0.00 0.00
496
+ ATOM 496 C PTH 1 89.63 83.43 40.85 0.00 0.00
497
+ ATOM 497 C PTH 1 89.63 83.43 41.85 0.00 0.00
498
+ ATOM 498 C PTH 1 89.63 83.43 42.85 0.00 0.00
499
+ ATOM 499 C PTH 1 89.63 83.43 43.85 0.00 0.00
500
+ ATOM 500 C PTH 1 89.63 83.43 44.85 0.00 0.00
501
+ ATOM 501 C PTH 1 89.63 84.43 39.85 0.00 0.00
502
+ ATOM 502 C PTH 1 89.63 84.43 40.85 0.00 0.00
503
+ ATOM 503 C PTH 1 89.63 84.43 41.85 0.00 0.00
504
+ ATOM 504 C PTH 1 89.63 84.43 42.85 0.00 0.00
505
+ ATOM 505 C PTH 1 89.63 84.43 43.85 0.00 0.00
506
+ ATOM 506 C PTH 1 89.63 84.43 44.85 0.00 0.00
507
+ ATOM 507 C PTH 1 89.63 85.43 39.85 0.00 0.00
508
+ ATOM 508 C PTH 1 90.63 81.43 42.85 0.00 0.00
509
+ ATOM 509 C PTH 1 90.63 81.43 43.85 0.00 0.00
510
+ ATOM 510 C PTH 1 90.63 82.43 41.85 0.00 0.00
511
+ ATOM 511 C PTH 1 90.63 82.43 42.85 0.00 0.00
512
+ ATOM 512 C PTH 1 90.63 82.43 43.85 0.00 0.00
513
+ ATOM 513 C PTH 1 90.63 83.43 40.85 0.00 0.00
514
+ ATOM 514 C PTH 1 90.63 83.43 41.85 0.00 0.00
515
+ ATOM 515 C PTH 1 90.63 83.43 42.85 0.00 0.00
516
+ ATOM 516 C PTH 1 90.63 83.43 43.85 0.00 0.00
517
+ ATOM 517 C PTH 1 90.63 84.43 40.85 0.00 0.00
518
+ ATOM 518 C PTH 1 90.63 84.43 41.85 0.00 0.00
519
+ ATOM 519 C PTH 1 90.63 84.43 42.85 0.00 0.00
520
+ ATOM 520 C PTH 1 90.63 84.43 43.85 0.00 0.00
data/files/A000M/pocket_02.pdb ADDED
@@ -0,0 +1,217 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 78.63 106.43 29.85 0.00 0.00
2
+ ATOM 2 C PTH 1 78.63 106.43 30.85 0.00 0.00
3
+ ATOM 3 C PTH 1 78.63 107.43 30.85 0.00 0.00
4
+ ATOM 4 C PTH 1 79.63 103.43 27.85 0.00 0.00
5
+ ATOM 5 C PTH 1 79.63 103.43 28.85 0.00 0.00
6
+ ATOM 6 C PTH 1 79.63 104.43 26.85 0.00 0.00
7
+ ATOM 7 C PTH 1 79.63 104.43 27.85 0.00 0.00
8
+ ATOM 8 C PTH 1 79.63 104.43 28.85 0.00 0.00
9
+ ATOM 9 C PTH 1 79.63 104.43 29.85 0.00 0.00
10
+ ATOM 10 C PTH 1 79.63 105.43 26.85 0.00 0.00
11
+ ATOM 11 C PTH 1 79.63 105.43 27.85 0.00 0.00
12
+ ATOM 12 C PTH 1 79.63 105.43 28.85 0.00 0.00
13
+ ATOM 13 C PTH 1 79.63 105.43 29.85 0.00 0.00
14
+ ATOM 14 C PTH 1 79.63 105.43 30.85 0.00 0.00
15
+ ATOM 15 C PTH 1 79.63 106.43 27.85 0.00 0.00
16
+ ATOM 16 C PTH 1 79.63 106.43 28.85 0.00 0.00
17
+ ATOM 17 C PTH 1 79.63 106.43 29.85 0.00 0.00
18
+ ATOM 18 C PTH 1 79.63 106.43 30.85 0.00 0.00
19
+ ATOM 19 C PTH 1 79.63 106.43 31.85 0.00 0.00
20
+ ATOM 20 C PTH 1 79.63 106.43 32.85 0.00 0.00
21
+ ATOM 21 C PTH 1 79.63 107.43 29.85 0.00 0.00
22
+ ATOM 22 C PTH 1 79.63 107.43 30.85 0.00 0.00
23
+ ATOM 23 C PTH 1 79.63 107.43 31.85 0.00 0.00
24
+ ATOM 24 C PTH 1 79.63 107.43 32.85 0.00 0.00
25
+ ATOM 25 C PTH 1 79.63 108.43 30.85 0.00 0.00
26
+ ATOM 26 C PTH 1 79.63 108.43 31.85 0.00 0.00
27
+ ATOM 27 C PTH 1 79.63 108.43 32.85 0.00 0.00
28
+ ATOM 28 C PTH 1 80.63 103.43 27.85 0.00 0.00
29
+ ATOM 29 C PTH 1 80.63 103.43 28.85 0.00 0.00
30
+ ATOM 30 C PTH 1 80.63 103.43 29.85 0.00 0.00
31
+ ATOM 31 C PTH 1 80.63 104.43 26.85 0.00 0.00
32
+ ATOM 32 C PTH 1 80.63 104.43 27.85 0.00 0.00
33
+ ATOM 33 C PTH 1 80.63 104.43 28.85 0.00 0.00
34
+ ATOM 34 C PTH 1 80.63 104.43 29.85 0.00 0.00
35
+ ATOM 35 C PTH 1 80.63 104.43 30.85 0.00 0.00
36
+ ATOM 36 C PTH 1 80.63 105.43 26.85 0.00 0.00
37
+ ATOM 37 C PTH 1 80.63 105.43 27.85 0.00 0.00
38
+ ATOM 38 C PTH 1 80.63 105.43 28.85 0.00 0.00
39
+ ATOM 39 C PTH 1 80.63 105.43 29.85 0.00 0.00
40
+ ATOM 40 C PTH 1 80.63 105.43 30.85 0.00 0.00
41
+ ATOM 41 C PTH 1 80.63 105.43 31.85 0.00 0.00
42
+ ATOM 42 C PTH 1 80.63 106.43 26.85 0.00 0.00
43
+ ATOM 43 C PTH 1 80.63 106.43 27.85 0.00 0.00
44
+ ATOM 44 C PTH 1 80.63 106.43 28.85 0.00 0.00
45
+ ATOM 45 C PTH 1 80.63 106.43 29.85 0.00 0.00
46
+ ATOM 46 C PTH 1 80.63 106.43 30.85 0.00 0.00
47
+ ATOM 47 C PTH 1 80.63 106.43 31.85 0.00 0.00
48
+ ATOM 48 C PTH 1 80.63 106.43 32.85 0.00 0.00
49
+ ATOM 49 C PTH 1 80.63 107.43 27.85 0.00 0.00
50
+ ATOM 50 C PTH 1 80.63 107.43 28.85 0.00 0.00
51
+ ATOM 51 C PTH 1 80.63 107.43 29.85 0.00 0.00
52
+ ATOM 52 C PTH 1 80.63 107.43 30.85 0.00 0.00
53
+ ATOM 53 C PTH 1 80.63 107.43 31.85 0.00 0.00
54
+ ATOM 54 C PTH 1 80.63 107.43 32.85 0.00 0.00
55
+ ATOM 55 C PTH 1 80.63 108.43 29.85 0.00 0.00
56
+ ATOM 56 C PTH 1 80.63 108.43 30.85 0.00 0.00
57
+ ATOM 57 C PTH 1 80.63 108.43 31.85 0.00 0.00
58
+ ATOM 58 C PTH 1 80.63 108.43 32.85 0.00 0.00
59
+ ATOM 59 C PTH 1 81.63 103.43 27.85 0.00 0.00
60
+ ATOM 60 C PTH 1 81.63 103.43 28.85 0.00 0.00
61
+ ATOM 61 C PTH 1 81.63 103.43 29.85 0.00 0.00
62
+ ATOM 62 C PTH 1 81.63 104.43 27.85 0.00 0.00
63
+ ATOM 63 C PTH 1 81.63 104.43 28.85 0.00 0.00
64
+ ATOM 64 C PTH 1 81.63 104.43 29.85 0.00 0.00
65
+ ATOM 65 C PTH 1 81.63 104.43 30.85 0.00 0.00
66
+ ATOM 66 C PTH 1 81.63 105.43 26.85 0.00 0.00
67
+ ATOM 67 C PTH 1 81.63 105.43 27.85 0.00 0.00
68
+ ATOM 68 C PTH 1 81.63 105.43 28.85 0.00 0.00
69
+ ATOM 69 C PTH 1 81.63 105.43 29.85 0.00 0.00
70
+ ATOM 70 C PTH 1 81.63 105.43 30.85 0.00 0.00
71
+ ATOM 71 C PTH 1 81.63 105.43 31.85 0.00 0.00
72
+ ATOM 72 C PTH 1 81.63 106.43 26.85 0.00 0.00
73
+ ATOM 73 C PTH 1 81.63 106.43 27.85 0.00 0.00
74
+ ATOM 74 C PTH 1 81.63 106.43 28.85 0.00 0.00
75
+ ATOM 75 C PTH 1 81.63 106.43 29.85 0.00 0.00
76
+ ATOM 76 C PTH 1 81.63 106.43 30.85 0.00 0.00
77
+ ATOM 77 C PTH 1 81.63 106.43 31.85 0.00 0.00
78
+ ATOM 78 C PTH 1 81.63 107.43 26.85 0.00 0.00
79
+ ATOM 79 C PTH 1 81.63 107.43 27.85 0.00 0.00
80
+ ATOM 80 C PTH 1 81.63 107.43 28.85 0.00 0.00
81
+ ATOM 81 C PTH 1 81.63 107.43 29.85 0.00 0.00
82
+ ATOM 82 C PTH 1 81.63 107.43 30.85 0.00 0.00
83
+ ATOM 83 C PTH 1 81.63 107.43 31.85 0.00 0.00
84
+ ATOM 84 C PTH 1 81.63 108.43 27.85 0.00 0.00
85
+ ATOM 85 C PTH 1 81.63 108.43 28.85 0.00 0.00
86
+ ATOM 86 C PTH 1 81.63 108.43 29.85 0.00 0.00
87
+ ATOM 87 C PTH 1 81.63 108.43 30.85 0.00 0.00
88
+ ATOM 88 C PTH 1 82.63 104.43 27.85 0.00 0.00
89
+ ATOM 89 C PTH 1 82.63 104.43 28.85 0.00 0.00
90
+ ATOM 90 C PTH 1 82.63 104.43 29.85 0.00 0.00
91
+ ATOM 91 C PTH 1 82.63 104.43 30.85 0.00 0.00
92
+ ATOM 92 C PTH 1 82.63 104.43 31.85 0.00 0.00
93
+ ATOM 93 C PTH 1 82.63 105.43 26.85 0.00 0.00
94
+ ATOM 94 C PTH 1 82.63 105.43 27.85 0.00 0.00
95
+ ATOM 95 C PTH 1 82.63 105.43 28.85 0.00 0.00
96
+ ATOM 96 C PTH 1 82.63 105.43 29.85 0.00 0.00
97
+ ATOM 97 C PTH 1 82.63 105.43 30.85 0.00 0.00
98
+ ATOM 98 C PTH 1 82.63 105.43 31.85 0.00 0.00
99
+ ATOM 99 C PTH 1 82.63 106.43 25.85 0.00 0.00
100
+ ATOM 100 C PTH 1 82.63 106.43 26.85 0.00 0.00
101
+ ATOM 101 C PTH 1 82.63 106.43 27.85 0.00 0.00
102
+ ATOM 102 C PTH 1 82.63 106.43 28.85 0.00 0.00
103
+ ATOM 103 C PTH 1 82.63 106.43 29.85 0.00 0.00
104
+ ATOM 104 C PTH 1 82.63 106.43 30.85 0.00 0.00
105
+ ATOM 105 C PTH 1 82.63 106.43 31.85 0.00 0.00
106
+ ATOM 106 C PTH 1 82.63 107.43 25.85 0.00 0.00
107
+ ATOM 107 C PTH 1 82.63 107.43 26.85 0.00 0.00
108
+ ATOM 108 C PTH 1 82.63 107.43 27.85 0.00 0.00
109
+ ATOM 109 C PTH 1 82.63 107.43 28.85 0.00 0.00
110
+ ATOM 110 C PTH 1 82.63 107.43 29.85 0.00 0.00
111
+ ATOM 111 C PTH 1 82.63 107.43 30.85 0.00 0.00
112
+ ATOM 112 C PTH 1 82.63 107.43 31.85 0.00 0.00
113
+ ATOM 113 C PTH 1 82.63 108.43 26.85 0.00 0.00
114
+ ATOM 114 C PTH 1 82.63 108.43 27.85 0.00 0.00
115
+ ATOM 115 C PTH 1 82.63 108.43 28.85 0.00 0.00
116
+ ATOM 116 C PTH 1 82.63 108.43 29.85 0.00 0.00
117
+ ATOM 117 C PTH 1 82.63 108.43 30.85 0.00 0.00
118
+ ATOM 118 C PTH 1 83.63 104.43 28.85 0.00 0.00
119
+ ATOM 119 C PTH 1 83.63 104.43 29.85 0.00 0.00
120
+ ATOM 120 C PTH 1 83.63 104.43 30.85 0.00 0.00
121
+ ATOM 121 C PTH 1 83.63 104.43 31.85 0.00 0.00
122
+ ATOM 122 C PTH 1 83.63 105.43 26.85 0.00 0.00
123
+ ATOM 123 C PTH 1 83.63 105.43 27.85 0.00 0.00
124
+ ATOM 124 C PTH 1 83.63 105.43 28.85 0.00 0.00
125
+ ATOM 125 C PTH 1 83.63 105.43 29.85 0.00 0.00
126
+ ATOM 126 C PTH 1 83.63 105.43 30.85 0.00 0.00
127
+ ATOM 127 C PTH 1 83.63 105.43 31.85 0.00 0.00
128
+ ATOM 128 C PTH 1 83.63 106.43 25.85 0.00 0.00
129
+ ATOM 129 C PTH 1 83.63 106.43 26.85 0.00 0.00
130
+ ATOM 130 C PTH 1 83.63 106.43 27.85 0.00 0.00
131
+ ATOM 131 C PTH 1 83.63 106.43 28.85 0.00 0.00
132
+ ATOM 132 C PTH 1 83.63 106.43 29.85 0.00 0.00
133
+ ATOM 133 C PTH 1 83.63 106.43 30.85 0.00 0.00
134
+ ATOM 134 C PTH 1 83.63 106.43 31.85 0.00 0.00
135
+ ATOM 135 C PTH 1 83.63 107.43 25.85 0.00 0.00
136
+ ATOM 136 C PTH 1 83.63 107.43 26.85 0.00 0.00
137
+ ATOM 137 C PTH 1 83.63 107.43 27.85 0.00 0.00
138
+ ATOM 138 C PTH 1 83.63 107.43 28.85 0.00 0.00
139
+ ATOM 139 C PTH 1 83.63 107.43 29.85 0.00 0.00
140
+ ATOM 140 C PTH 1 83.63 107.43 30.85 0.00 0.00
141
+ ATOM 141 C PTH 1 83.63 107.43 31.85 0.00 0.00
142
+ ATOM 142 C PTH 1 83.63 108.43 25.85 0.00 0.00
143
+ ATOM 143 C PTH 1 83.63 108.43 26.85 0.00 0.00
144
+ ATOM 144 C PTH 1 83.63 108.43 27.85 0.00 0.00
145
+ ATOM 145 C PTH 1 83.63 108.43 28.85 0.00 0.00
146
+ ATOM 146 C PTH 1 83.63 108.43 29.85 0.00 0.00
147
+ ATOM 147 C PTH 1 83.63 108.43 30.85 0.00 0.00
148
+ ATOM 148 C PTH 1 84.63 104.43 28.85 0.00 0.00
149
+ ATOM 149 C PTH 1 84.63 104.43 29.85 0.00 0.00
150
+ ATOM 150 C PTH 1 84.63 105.43 26.85 0.00 0.00
151
+ ATOM 151 C PTH 1 84.63 105.43 27.85 0.00 0.00
152
+ ATOM 152 C PTH 1 84.63 105.43 28.85 0.00 0.00
153
+ ATOM 153 C PTH 1 84.63 105.43 29.85 0.00 0.00
154
+ ATOM 154 C PTH 1 84.63 105.43 30.85 0.00 0.00
155
+ ATOM 155 C PTH 1 84.63 105.43 31.85 0.00 0.00
156
+ ATOM 156 C PTH 1 84.63 106.43 25.85 0.00 0.00
157
+ ATOM 157 C PTH 1 84.63 106.43 26.85 0.00 0.00
158
+ ATOM 158 C PTH 1 84.63 106.43 27.85 0.00 0.00
159
+ ATOM 159 C PTH 1 84.63 106.43 28.85 0.00 0.00
160
+ ATOM 160 C PTH 1 84.63 106.43 29.85 0.00 0.00
161
+ ATOM 161 C PTH 1 84.63 106.43 30.85 0.00 0.00
162
+ ATOM 162 C PTH 1 84.63 106.43 31.85 0.00 0.00
163
+ ATOM 163 C PTH 1 84.63 107.43 25.85 0.00 0.00
164
+ ATOM 164 C PTH 1 84.63 107.43 26.85 0.00 0.00
165
+ ATOM 165 C PTH 1 84.63 107.43 27.85 0.00 0.00
166
+ ATOM 166 C PTH 1 84.63 107.43 28.85 0.00 0.00
167
+ ATOM 167 C PTH 1 84.63 107.43 29.85 0.00 0.00
168
+ ATOM 168 C PTH 1 84.63 107.43 30.85 0.00 0.00
169
+ ATOM 169 C PTH 1 84.63 107.43 31.85 0.00 0.00
170
+ ATOM 170 C PTH 1 84.63 108.43 25.85 0.00 0.00
171
+ ATOM 171 C PTH 1 84.63 108.43 26.85 0.00 0.00
172
+ ATOM 172 C PTH 1 84.63 108.43 27.85 0.00 0.00
173
+ ATOM 173 C PTH 1 84.63 108.43 28.85 0.00 0.00
174
+ ATOM 174 C PTH 1 84.63 108.43 29.85 0.00 0.00
175
+ ATOM 175 C PTH 1 84.63 108.43 30.85 0.00 0.00
176
+ ATOM 176 C PTH 1 85.63 105.43 26.85 0.00 0.00
177
+ ATOM 177 C PTH 1 85.63 105.43 27.85 0.00 0.00
178
+ ATOM 178 C PTH 1 85.63 105.43 28.85 0.00 0.00
179
+ ATOM 179 C PTH 1 85.63 105.43 29.85 0.00 0.00
180
+ ATOM 180 C PTH 1 85.63 105.43 30.85 0.00 0.00
181
+ ATOM 181 C PTH 1 85.63 105.43 31.85 0.00 0.00
182
+ ATOM 182 C PTH 1 85.63 106.43 25.85 0.00 0.00
183
+ ATOM 183 C PTH 1 85.63 106.43 26.85 0.00 0.00
184
+ ATOM 184 C PTH 1 85.63 106.43 27.85 0.00 0.00
185
+ ATOM 185 C PTH 1 85.63 106.43 28.85 0.00 0.00
186
+ ATOM 186 C PTH 1 85.63 106.43 29.85 0.00 0.00
187
+ ATOM 187 C PTH 1 85.63 106.43 30.85 0.00 0.00
188
+ ATOM 188 C PTH 1 85.63 106.43 31.85 0.00 0.00
189
+ ATOM 189 C PTH 1 85.63 107.43 25.85 0.00 0.00
190
+ ATOM 190 C PTH 1 85.63 107.43 26.85 0.00 0.00
191
+ ATOM 191 C PTH 1 85.63 107.43 27.85 0.00 0.00
192
+ ATOM 192 C PTH 1 85.63 107.43 28.85 0.00 0.00
193
+ ATOM 193 C PTH 1 85.63 107.43 29.85 0.00 0.00
194
+ ATOM 194 C PTH 1 85.63 107.43 30.85 0.00 0.00
195
+ ATOM 195 C PTH 1 85.63 107.43 31.85 0.00 0.00
196
+ ATOM 196 C PTH 1 85.63 108.43 25.85 0.00 0.00
197
+ ATOM 197 C PTH 1 85.63 108.43 26.85 0.00 0.00
198
+ ATOM 198 C PTH 1 85.63 108.43 27.85 0.00 0.00
199
+ ATOM 199 C PTH 1 85.63 108.43 28.85 0.00 0.00
200
+ ATOM 200 C PTH 1 85.63 108.43 29.85 0.00 0.00
201
+ ATOM 201 C PTH 1 85.63 108.43 30.85 0.00 0.00
202
+ ATOM 202 C PTH 1 86.63 105.43 27.85 0.00 0.00
203
+ ATOM 203 C PTH 1 86.63 105.43 28.85 0.00 0.00
204
+ ATOM 204 C PTH 1 86.63 105.43 30.85 0.00 0.00
205
+ ATOM 205 C PTH 1 86.63 106.43 26.85 0.00 0.00
206
+ ATOM 206 C PTH 1 86.63 106.43 27.85 0.00 0.00
207
+ ATOM 207 C PTH 1 86.63 106.43 28.85 0.00 0.00
208
+ ATOM 208 C PTH 1 86.63 106.43 29.85 0.00 0.00
209
+ ATOM 209 C PTH 1 86.63 106.43 30.85 0.00 0.00
210
+ ATOM 210 C PTH 1 86.63 106.43 31.85 0.00 0.00
211
+ ATOM 211 C PTH 1 86.63 107.43 26.85 0.00 0.00
212
+ ATOM 212 C PTH 1 86.63 107.43 27.85 0.00 0.00
213
+ ATOM 213 C PTH 1 86.63 107.43 28.85 0.00 0.00
214
+ ATOM 214 C PTH 1 86.63 107.43 29.85 0.00 0.00
215
+ ATOM 215 C PTH 1 86.63 107.43 30.85 0.00 0.00
216
+ ATOM 216 C PTH 1 86.63 107.43 31.85 0.00 0.00
217
+ ATOM 217 C PTH 1 86.63 108.43 26.85 0.00 0.00
data/files/A000M/pocket_03.pdb ADDED
@@ -0,0 +1,153 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 74.63 110.43 43.85 0.00 0.00
2
+ ATOM 2 C PTH 1 74.63 110.43 44.85 0.00 0.00
3
+ ATOM 3 C PTH 1 74.63 111.43 42.85 0.00 0.00
4
+ ATOM 4 C PTH 1 74.63 111.43 43.85 0.00 0.00
5
+ ATOM 5 C PTH 1 74.63 111.43 44.85 0.00 0.00
6
+ ATOM 6 C PTH 1 74.63 112.43 42.85 0.00 0.00
7
+ ATOM 7 C PTH 1 74.63 112.43 43.85 0.00 0.00
8
+ ATOM 8 C PTH 1 74.63 112.43 44.85 0.00 0.00
9
+ ATOM 9 C PTH 1 75.63 109.43 43.85 0.00 0.00
10
+ ATOM 10 C PTH 1 75.63 109.43 44.85 0.00 0.00
11
+ ATOM 11 C PTH 1 75.63 110.43 42.85 0.00 0.00
12
+ ATOM 12 C PTH 1 75.63 110.43 43.85 0.00 0.00
13
+ ATOM 13 C PTH 1 75.63 110.43 44.85 0.00 0.00
14
+ ATOM 14 C PTH 1 75.63 110.43 45.85 0.00 0.00
15
+ ATOM 15 C PTH 1 75.63 111.43 42.85 0.00 0.00
16
+ ATOM 16 C PTH 1 75.63 111.43 43.85 0.00 0.00
17
+ ATOM 17 C PTH 1 75.63 111.43 44.85 0.00 0.00
18
+ ATOM 18 C PTH 1 75.63 111.43 45.85 0.00 0.00
19
+ ATOM 19 C PTH 1 75.63 112.43 41.85 0.00 0.00
20
+ ATOM 20 C PTH 1 75.63 112.43 42.85 0.00 0.00
21
+ ATOM 21 C PTH 1 75.63 112.43 43.85 0.00 0.00
22
+ ATOM 22 C PTH 1 75.63 112.43 44.85 0.00 0.00
23
+ ATOM 23 C PTH 1 75.63 112.43 45.85 0.00 0.00
24
+ ATOM 24 C PTH 1 75.63 113.43 42.85 0.00 0.00
25
+ ATOM 25 C PTH 1 75.63 113.43 43.85 0.00 0.00
26
+ ATOM 26 C PTH 1 75.63 113.43 44.85 0.00 0.00
27
+ ATOM 27 C PTH 1 76.63 109.43 42.85 0.00 0.00
28
+ ATOM 28 C PTH 1 76.63 109.43 43.85 0.00 0.00
29
+ ATOM 29 C PTH 1 76.63 109.43 44.85 0.00 0.00
30
+ ATOM 30 C PTH 1 76.63 109.43 45.85 0.00 0.00
31
+ ATOM 31 C PTH 1 76.63 110.43 42.85 0.00 0.00
32
+ ATOM 32 C PTH 1 76.63 110.43 43.85 0.00 0.00
33
+ ATOM 33 C PTH 1 76.63 110.43 44.85 0.00 0.00
34
+ ATOM 34 C PTH 1 76.63 110.43 45.85 0.00 0.00
35
+ ATOM 35 C PTH 1 76.63 110.43 46.85 0.00 0.00
36
+ ATOM 36 C PTH 1 76.63 110.43 47.85 0.00 0.00
37
+ ATOM 37 C PTH 1 76.63 110.43 48.85 0.00 0.00
38
+ ATOM 38 C PTH 1 76.63 111.43 41.85 0.00 0.00
39
+ ATOM 39 C PTH 1 76.63 111.43 42.85 0.00 0.00
40
+ ATOM 40 C PTH 1 76.63 111.43 43.85 0.00 0.00
41
+ ATOM 41 C PTH 1 76.63 111.43 44.85 0.00 0.00
42
+ ATOM 42 C PTH 1 76.63 111.43 45.85 0.00 0.00
43
+ ATOM 43 C PTH 1 76.63 111.43 46.85 0.00 0.00
44
+ ATOM 44 C PTH 1 76.63 111.43 47.85 0.00 0.00
45
+ ATOM 45 C PTH 1 76.63 111.43 48.85 0.00 0.00
46
+ ATOM 46 C PTH 1 76.63 112.43 41.85 0.00 0.00
47
+ ATOM 47 C PTH 1 76.63 112.43 42.85 0.00 0.00
48
+ ATOM 48 C PTH 1 76.63 112.43 43.85 0.00 0.00
49
+ ATOM 49 C PTH 1 76.63 112.43 44.85 0.00 0.00
50
+ ATOM 50 C PTH 1 76.63 112.43 45.85 0.00 0.00
51
+ ATOM 51 C PTH 1 76.63 112.43 46.85 0.00 0.00
52
+ ATOM 52 C PTH 1 76.63 112.43 47.85 0.00 0.00
53
+ ATOM 53 C PTH 1 76.63 113.43 41.85 0.00 0.00
54
+ ATOM 54 C PTH 1 76.63 113.43 42.85 0.00 0.00
55
+ ATOM 55 C PTH 1 76.63 113.43 43.85 0.00 0.00
56
+ ATOM 56 C PTH 1 76.63 113.43 44.85 0.00 0.00
57
+ ATOM 57 C PTH 1 76.63 113.43 45.85 0.00 0.00
58
+ ATOM 58 C PTH 1 77.63 109.43 42.85 0.00 0.00
59
+ ATOM 59 C PTH 1 77.63 109.43 43.85 0.00 0.00
60
+ ATOM 60 C PTH 1 77.63 109.43 44.85 0.00 0.00
61
+ ATOM 61 C PTH 1 77.63 109.43 45.85 0.00 0.00
62
+ ATOM 62 C PTH 1 77.63 109.43 46.85 0.00 0.00
63
+ ATOM 63 C PTH 1 77.63 110.43 41.85 0.00 0.00
64
+ ATOM 64 C PTH 1 77.63 110.43 42.85 0.00 0.00
65
+ ATOM 65 C PTH 1 77.63 110.43 43.85 0.00 0.00
66
+ ATOM 66 C PTH 1 77.63 110.43 44.85 0.00 0.00
67
+ ATOM 67 C PTH 1 77.63 110.43 45.85 0.00 0.00
68
+ ATOM 68 C PTH 1 77.63 110.43 46.85 0.00 0.00
69
+ ATOM 69 C PTH 1 77.63 110.43 47.85 0.00 0.00
70
+ ATOM 70 C PTH 1 77.63 110.43 48.85 0.00 0.00
71
+ ATOM 71 C PTH 1 77.63 111.43 41.85 0.00 0.00
72
+ ATOM 72 C PTH 1 77.63 111.43 42.85 0.00 0.00
73
+ ATOM 73 C PTH 1 77.63 111.43 43.85 0.00 0.00
74
+ ATOM 74 C PTH 1 77.63 111.43 44.85 0.00 0.00
75
+ ATOM 75 C PTH 1 77.63 111.43 45.85 0.00 0.00
76
+ ATOM 76 C PTH 1 77.63 111.43 46.85 0.00 0.00
77
+ ATOM 77 C PTH 1 77.63 111.43 47.85 0.00 0.00
78
+ ATOM 78 C PTH 1 77.63 111.43 48.85 0.00 0.00
79
+ ATOM 79 C PTH 1 77.63 112.43 41.85 0.00 0.00
80
+ ATOM 80 C PTH 1 77.63 112.43 42.85 0.00 0.00
81
+ ATOM 81 C PTH 1 77.63 112.43 43.85 0.00 0.00
82
+ ATOM 82 C PTH 1 77.63 112.43 44.85 0.00 0.00
83
+ ATOM 83 C PTH 1 77.63 112.43 45.85 0.00 0.00
84
+ ATOM 84 C PTH 1 77.63 112.43 46.85 0.00 0.00
85
+ ATOM 85 C PTH 1 77.63 112.43 47.85 0.00 0.00
86
+ ATOM 86 C PTH 1 77.63 112.43 48.85 0.00 0.00
87
+ ATOM 87 C PTH 1 77.63 113.43 41.85 0.00 0.00
88
+ ATOM 88 C PTH 1 77.63 113.43 42.85 0.00 0.00
89
+ ATOM 89 C PTH 1 77.63 113.43 43.85 0.00 0.00
90
+ ATOM 90 C PTH 1 77.63 113.43 44.85 0.00 0.00
91
+ ATOM 91 C PTH 1 77.63 113.43 45.85 0.00 0.00
92
+ ATOM 92 C PTH 1 77.63 113.43 46.85 0.00 0.00
93
+ ATOM 93 C PTH 1 78.63 108.43 44.85 0.00 0.00
94
+ ATOM 94 C PTH 1 78.63 109.43 42.85 0.00 0.00
95
+ ATOM 95 C PTH 1 78.63 109.43 43.85 0.00 0.00
96
+ ATOM 96 C PTH 1 78.63 109.43 44.85 0.00 0.00
97
+ ATOM 97 C PTH 1 78.63 109.43 45.85 0.00 0.00
98
+ ATOM 98 C PTH 1 78.63 109.43 46.85 0.00 0.00
99
+ ATOM 99 C PTH 1 78.63 110.43 42.85 0.00 0.00
100
+ ATOM 100 C PTH 1 78.63 110.43 43.85 0.00 0.00
101
+ ATOM 101 C PTH 1 78.63 110.43 44.85 0.00 0.00
102
+ ATOM 102 C PTH 1 78.63 110.43 45.85 0.00 0.00
103
+ ATOM 103 C PTH 1 78.63 110.43 46.85 0.00 0.00
104
+ ATOM 104 C PTH 1 78.63 110.43 47.85 0.00 0.00
105
+ ATOM 105 C PTH 1 78.63 111.43 41.85 0.00 0.00
106
+ ATOM 106 C PTH 1 78.63 111.43 42.85 0.00 0.00
107
+ ATOM 107 C PTH 1 78.63 111.43 43.85 0.00 0.00
108
+ ATOM 108 C PTH 1 78.63 111.43 44.85 0.00 0.00
109
+ ATOM 109 C PTH 1 78.63 111.43 45.85 0.00 0.00
110
+ ATOM 110 C PTH 1 78.63 111.43 46.85 0.00 0.00
111
+ ATOM 111 C PTH 1 78.63 111.43 47.85 0.00 0.00
112
+ ATOM 112 C PTH 1 78.63 111.43 48.85 0.00 0.00
113
+ ATOM 113 C PTH 1 78.63 112.43 41.85 0.00 0.00
114
+ ATOM 114 C PTH 1 78.63 112.43 42.85 0.00 0.00
115
+ ATOM 115 C PTH 1 78.63 112.43 43.85 0.00 0.00
116
+ ATOM 116 C PTH 1 78.63 112.43 44.85 0.00 0.00
117
+ ATOM 117 C PTH 1 78.63 112.43 45.85 0.00 0.00
118
+ ATOM 118 C PTH 1 78.63 112.43 46.85 0.00 0.00
119
+ ATOM 119 C PTH 1 78.63 112.43 47.85 0.00 0.00
120
+ ATOM 120 C PTH 1 78.63 113.43 42.85 0.00 0.00
121
+ ATOM 121 C PTH 1 78.63 113.43 43.85 0.00 0.00
122
+ ATOM 122 C PTH 1 78.63 113.43 44.85 0.00 0.00
123
+ ATOM 123 C PTH 1 78.63 113.43 45.85 0.00 0.00
124
+ ATOM 124 C PTH 1 78.63 113.43 46.85 0.00 0.00
125
+ ATOM 125 C PTH 1 78.63 114.43 43.85 0.00 0.00
126
+ ATOM 126 C PTH 1 78.63 114.43 44.85 0.00 0.00
127
+ ATOM 127 C PTH 1 79.63 109.43 43.85 0.00 0.00
128
+ ATOM 128 C PTH 1 79.63 109.43 44.85 0.00 0.00
129
+ ATOM 129 C PTH 1 79.63 109.43 45.85 0.00 0.00
130
+ ATOM 130 C PTH 1 79.63 110.43 42.85 0.00 0.00
131
+ ATOM 131 C PTH 1 79.63 110.43 43.85 0.00 0.00
132
+ ATOM 132 C PTH 1 79.63 110.43 44.85 0.00 0.00
133
+ ATOM 133 C PTH 1 79.63 110.43 45.85 0.00 0.00
134
+ ATOM 134 C PTH 1 79.63 110.43 46.85 0.00 0.00
135
+ ATOM 135 C PTH 1 79.63 111.43 42.85 0.00 0.00
136
+ ATOM 136 C PTH 1 79.63 111.43 43.85 0.00 0.00
137
+ ATOM 137 C PTH 1 79.63 111.43 44.85 0.00 0.00
138
+ ATOM 138 C PTH 1 79.63 111.43 45.85 0.00 0.00
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153
+ ATOM 153 C PTH 1 80.63 114.43 44.85 0.00 0.00
data/files/A000M/pocket_04.pdb ADDED
@@ -0,0 +1,150 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 89.63 85.43 40.85 0.00 0.00
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data/files/A000M/pocket_05.pdb ADDED
@@ -0,0 +1,150 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 89.63 91.43 31.85 0.00 0.00
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118
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119
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120
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123
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124
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128
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135
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136
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138
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148
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150
+ ATOM 150 C PTH 1 94.63 94.43 31.85 0.00 0.00
data/files/A000M/pocket_06.pdb ADDED
@@ -0,0 +1,108 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 84.63 96.43 70.85 0.00 0.00
2
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3
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108
+ ATOM 108 C PTH 1 88.63 99.43 73.85 0.00 0.00
data/files/A000M/pocket_07.pdb ADDED
@@ -0,0 +1,97 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 73.63 106.43 51.85 0.00 0.00
2
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3
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97
+ ATOM 97 C PTH 1 77.63 109.43 52.85 0.00 0.00
data/files/A000M/pocket_08.pdb ADDED
@@ -0,0 +1,88 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 85.63 109.43 49.85 0.00 0.00
2
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3
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36
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42
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
+ ATOM 71 C PTH 1 89.63 111.43 48.85 0.00 0.00
72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
+ ATOM 82 C PTH 1 90.63 109.43 48.85 0.00 0.00
83
+ ATOM 83 C PTH 1 90.63 109.43 49.85 0.00 0.00
84
+ ATOM 84 C PTH 1 90.63 109.43 50.85 0.00 0.00
85
+ ATOM 85 C PTH 1 90.63 110.43 48.85 0.00 0.00
86
+ ATOM 86 C PTH 1 90.63 110.43 49.85 0.00 0.00
87
+ ATOM 87 C PTH 1 90.63 110.43 50.85 0.00 0.00
88
+ ATOM 88 C PTH 1 90.63 111.43 51.85 0.00 0.00
data/files/A000M/pocket_09.pdb ADDED
@@ -0,0 +1,77 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 94.63 105.43 51.85 0.00 0.00
2
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3
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4
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8
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48
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50
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62
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63
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64
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65
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66
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67
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68
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70
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71
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72
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74
+ ATOM 74 C PTH 1 98.63 108.43 53.85 0.00 0.00
75
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+ ATOM 76 C PTH 1 98.63 109.43 52.85 0.00 0.00
77
+ ATOM 77 C PTH 1 98.63 109.43 53.85 0.00 0.00
data/files/A000M/pocket_10.pdb ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 65.63 95.43 40.85 0.00 0.00
2
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3
+ ATOM 3 C PTH 1 66.63 93.43 38.85 0.00 0.00
4
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63
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65
+ ATOM 65 C PTH 1 69.63 96.43 40.85 0.00 0.00
data/files/A000M/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A000Q/pocket_01.pdb ADDED
@@ -0,0 +1,71 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 79.75 70.51 26.97 0.00 0.00
2
+ ATOM 2 C PTH 1 79.75 71.51 26.97 0.00 0.00
3
+ ATOM 3 C PTH 1 79.75 71.51 27.97 0.00 0.00
4
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5
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6
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7
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8
+ ATOM 8 C PTH 1 79.75 72.51 29.97 0.00 0.00
9
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10
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11
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12
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13
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14
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15
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17
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18
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21
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22
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25
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27
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48
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50
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60
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61
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63
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64
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65
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66
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67
+ ATOM 67 C PTH 1 82.75 73.51 27.97 0.00 0.00
68
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69
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70
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71
+ ATOM 71 C PTH 1 82.75 74.51 27.97 0.00 0.00
data/files/A000Q/pocket_02.pdb ADDED
@@ -0,0 +1,48 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 87.75 56.51 43.97 0.00 0.00
2
+ ATOM 2 C PTH 1 87.75 57.51 43.97 0.00 0.00
3
+ ATOM 3 C PTH 1 87.75 57.51 44.97 0.00 0.00
4
+ ATOM 4 C PTH 1 87.75 58.51 42.97 0.00 0.00
5
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6
+ ATOM 6 C PTH 1 87.75 58.51 44.97 0.00 0.00
7
+ ATOM 7 C PTH 1 88.75 54.51 42.97 0.00 0.00
8
+ ATOM 8 C PTH 1 88.75 54.51 43.97 0.00 0.00
9
+ ATOM 9 C PTH 1 88.75 54.51 44.97 0.00 0.00
10
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11
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data/files/A000Q/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A000R/pocket_01.pdb ADDED
@@ -0,0 +1,188 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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2
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188
+ ATOM 188 C PTH 1 31.38 60.45 31.25 0.00 0.00
data/files/A000R/pocket_02.pdb ADDED
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1
+ ATOM 1 C PTH 1 24.38 66.45 33.25 0.00 0.00
2
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3
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38
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48
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49
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51
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147
+ ATOM 147 C PTH 1 30.38 64.45 37.25 0.00 0.00
data/files/A000R/pocket_03.pdb ADDED
@@ -0,0 +1,133 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 31.38 59.45 22.25 0.00 0.00
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133
+ ATOM 133 C PTH 1 37.38 57.45 24.25 0.00 0.00
data/files/A000R/pocket_04.pdb ADDED
@@ -0,0 +1,88 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 26.38 51.45 35.25 0.00 0.00
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88
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data/files/A000R/pocket_05.pdb ADDED
@@ -0,0 +1,62 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A000R/pocket_06.pdb ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 25.38 48.45 25.25 0.00 0.00
2
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data/files/A000R/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A001G/pocket_01.pdb ADDED
@@ -0,0 +1,185 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 25.52 76.01 30.01 0.00 0.00
2
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119
+ ATOM 119 C PTH 1 30.52 78.01 29.01 0.00 0.00
120
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121
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122
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123
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124
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125
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126
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127
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128
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148
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154
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155
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160
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168
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170
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171
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172
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173
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174
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175
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177
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178
+ ATOM 178 C PTH 1 32.52 80.01 27.01 0.00 0.00
179
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180
+ ATOM 180 C PTH 1 33.52 78.01 27.01 0.00 0.00
181
+ ATOM 181 C PTH 1 33.52 78.01 28.01 0.00 0.00
182
+ ATOM 182 C PTH 1 33.52 79.01 27.01 0.00 0.00
183
+ ATOM 183 C PTH 1 33.52 79.01 28.01 0.00 0.00
184
+ ATOM 184 C PTH 1 33.52 80.01 27.01 0.00 0.00
185
+ ATOM 185 C PTH 1 33.52 80.01 28.01 0.00 0.00
data/files/A001G/pocket_02.pdb ADDED
@@ -0,0 +1,145 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 36.52 78.01 37.01 0.00 0.00
2
+ ATOM 2 C PTH 1 36.52 78.01 38.01 0.00 0.00
3
+ ATOM 3 C PTH 1 36.52 79.01 36.01 0.00 0.00
4
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+ ATOM 6 C PTH 1 36.52 79.01 39.01 0.00 0.00
7
+ ATOM 7 C PTH 1 36.52 80.01 35.01 0.00 0.00
8
+ ATOM 8 C PTH 1 36.52 80.01 36.01 0.00 0.00
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12
+ ATOM 12 C PTH 1 36.52 81.01 35.01 0.00 0.00
13
+ ATOM 13 C PTH 1 36.52 81.01 36.01 0.00 0.00
14
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15
+ ATOM 15 C PTH 1 36.52 81.01 38.01 0.00 0.00
16
+ ATOM 16 C PTH 1 36.52 81.01 39.01 0.00 0.00
17
+ ATOM 17 C PTH 1 36.52 82.01 35.01 0.00 0.00
18
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19
+ ATOM 19 C PTH 1 36.52 82.01 37.01 0.00 0.00
20
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21
+ ATOM 21 C PTH 1 36.52 82.01 39.01 0.00 0.00
22
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23
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27
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28
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29
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31
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33
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34
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35
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36
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37
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38
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40
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48
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52
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53
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66
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+ ATOM 75 C PTH 1 38.52 81.01 37.01 0.00 0.00
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139
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140
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142
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145
+ ATOM 145 C PTH 1 41.52 81.01 34.01 0.00 0.00
data/files/A001G/pocket_03.pdb ADDED
@@ -0,0 +1,122 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 40.52 57.01 37.01 0.00 0.00
2
+ ATOM 2 C PTH 1 40.52 57.01 38.01 0.00 0.00
3
+ ATOM 3 C PTH 1 40.52 58.01 35.01 0.00 0.00
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48
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66
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67
+ ATOM 67 C PTH 1 43.52 59.01 35.01 0.00 0.00
68
+ ATOM 68 C PTH 1 43.52 59.01 36.01 0.00 0.00
69
+ ATOM 69 C PTH 1 43.52 59.01 37.01 0.00 0.00
70
+ ATOM 70 C PTH 1 43.52 59.01 38.01 0.00 0.00
71
+ ATOM 71 C PTH 1 44.52 54.01 35.01 0.00 0.00
72
+ ATOM 72 C PTH 1 44.52 54.01 36.01 0.00 0.00
73
+ ATOM 73 C PTH 1 44.52 55.01 33.01 0.00 0.00
74
+ ATOM 74 C PTH 1 44.52 55.01 34.01 0.00 0.00
75
+ ATOM 75 C PTH 1 44.52 55.01 35.01 0.00 0.00
76
+ ATOM 76 C PTH 1 44.52 55.01 36.01 0.00 0.00
77
+ ATOM 77 C PTH 1 44.52 55.01 37.01 0.00 0.00
78
+ ATOM 78 C PTH 1 44.52 56.01 33.01 0.00 0.00
79
+ ATOM 79 C PTH 1 44.52 56.01 34.01 0.00 0.00
80
+ ATOM 80 C PTH 1 44.52 56.01 35.01 0.00 0.00
81
+ ATOM 81 C PTH 1 44.52 56.01 36.01 0.00 0.00
82
+ ATOM 82 C PTH 1 44.52 56.01 37.01 0.00 0.00
83
+ ATOM 83 C PTH 1 44.52 56.01 38.01 0.00 0.00
84
+ ATOM 84 C PTH 1 44.52 57.01 33.01 0.00 0.00
85
+ ATOM 85 C PTH 1 44.52 57.01 34.01 0.00 0.00
86
+ ATOM 86 C PTH 1 44.52 57.01 35.01 0.00 0.00
87
+ ATOM 87 C PTH 1 44.52 57.01 36.01 0.00 0.00
88
+ ATOM 88 C PTH 1 44.52 57.01 37.01 0.00 0.00
89
+ ATOM 89 C PTH 1 44.52 57.01 38.01 0.00 0.00
90
+ ATOM 90 C PTH 1 44.52 58.01 33.01 0.00 0.00
91
+ ATOM 91 C PTH 1 44.52 58.01 34.01 0.00 0.00
92
+ ATOM 92 C PTH 1 44.52 58.01 35.01 0.00 0.00
93
+ ATOM 93 C PTH 1 44.52 58.01 36.01 0.00 0.00
94
+ ATOM 94 C PTH 1 44.52 58.01 37.01 0.00 0.00
95
+ ATOM 95 C PTH 1 44.52 58.01 38.01 0.00 0.00
96
+ ATOM 96 C PTH 1 44.52 59.01 34.01 0.00 0.00
97
+ ATOM 97 C PTH 1 44.52 59.01 35.01 0.00 0.00
98
+ ATOM 98 C PTH 1 44.52 59.01 36.01 0.00 0.00
99
+ ATOM 99 C PTH 1 44.52 59.01 37.01 0.00 0.00
100
+ ATOM 100 C PTH 1 45.52 54.01 35.01 0.00 0.00
101
+ ATOM 101 C PTH 1 45.52 55.01 33.01 0.00 0.00
102
+ ATOM 102 C PTH 1 45.52 55.01 34.01 0.00 0.00
103
+ ATOM 103 C PTH 1 45.52 55.01 35.01 0.00 0.00
104
+ ATOM 104 C PTH 1 45.52 55.01 36.01 0.00 0.00
105
+ ATOM 105 C PTH 1 45.52 55.01 37.01 0.00 0.00
106
+ ATOM 106 C PTH 1 45.52 56.01 33.01 0.00 0.00
107
+ ATOM 107 C PTH 1 45.52 56.01 34.01 0.00 0.00
108
+ ATOM 108 C PTH 1 45.52 56.01 35.01 0.00 0.00
109
+ ATOM 109 C PTH 1 45.52 56.01 36.01 0.00 0.00
110
+ ATOM 110 C PTH 1 45.52 56.01 37.01 0.00 0.00
111
+ ATOM 111 C PTH 1 45.52 57.01 33.01 0.00 0.00
112
+ ATOM 112 C PTH 1 45.52 57.01 34.01 0.00 0.00
113
+ ATOM 113 C PTH 1 45.52 57.01 35.01 0.00 0.00
114
+ ATOM 114 C PTH 1 45.52 57.01 36.01 0.00 0.00
115
+ ATOM 115 C PTH 1 45.52 57.01 37.01 0.00 0.00
116
+ ATOM 116 C PTH 1 45.52 58.01 34.01 0.00 0.00
117
+ ATOM 117 C PTH 1 45.52 58.01 35.01 0.00 0.00
118
+ ATOM 118 C PTH 1 45.52 58.01 36.01 0.00 0.00
119
+ ATOM 119 C PTH 1 45.52 58.01 37.01 0.00 0.00
120
+ ATOM 120 C PTH 1 45.52 59.01 35.01 0.00 0.00
121
+ ATOM 121 C PTH 1 45.52 59.01 36.01 0.00 0.00
122
+ ATOM 122 C PTH 1 45.52 59.01 37.01 0.00 0.00
data/files/A001G/pocket_04.pdb ADDED
@@ -0,0 +1,116 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 19.52 58.01 28.01 0.00 0.00
2
+ ATOM 2 C PTH 1 19.52 58.01 29.01 0.00 0.00
3
+ ATOM 3 C PTH 1 20.52 57.01 28.01 0.00 0.00
4
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5
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6
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7
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8
+ ATOM 8 C PTH 1 20.52 58.01 30.01 0.00 0.00
9
+ ATOM 9 C PTH 1 20.52 59.01 26.01 0.00 0.00
10
+ ATOM 10 C PTH 1 20.52 59.01 27.01 0.00 0.00
11
+ ATOM 11 C PTH 1 20.52 59.01 28.01 0.00 0.00
12
+ ATOM 12 C PTH 1 20.52 59.01 29.01 0.00 0.00
13
+ ATOM 13 C PTH 1 20.52 59.01 30.01 0.00 0.00
14
+ ATOM 14 C PTH 1 20.52 59.01 31.01 0.00 0.00
15
+ ATOM 15 C PTH 1 20.52 60.01 26.01 0.00 0.00
16
+ ATOM 16 C PTH 1 20.52 60.01 27.01 0.00 0.00
17
+ ATOM 17 C PTH 1 20.52 60.01 28.01 0.00 0.00
18
+ ATOM 18 C PTH 1 20.52 60.01 29.01 0.00 0.00
19
+ ATOM 19 C PTH 1 20.52 60.01 30.01 0.00 0.00
20
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21
+ ATOM 21 C PTH 1 20.52 61.01 26.01 0.00 0.00
22
+ ATOM 22 C PTH 1 20.52 61.01 27.01 0.00 0.00
23
+ ATOM 23 C PTH 1 20.52 61.01 28.01 0.00 0.00
24
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25
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26
+ ATOM 26 C PTH 1 21.52 57.01 27.01 0.00 0.00
27
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28
+ ATOM 28 C PTH 1 21.52 57.01 29.01 0.00 0.00
29
+ ATOM 29 C PTH 1 21.52 58.01 27.01 0.00 0.00
30
+ ATOM 30 C PTH 1 21.52 58.01 28.01 0.00 0.00
31
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32
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33
+ ATOM 33 C PTH 1 21.52 59.01 26.01 0.00 0.00
34
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35
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36
+ ATOM 36 C PTH 1 21.52 59.01 29.01 0.00 0.00
37
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38
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39
+ ATOM 39 C PTH 1 21.52 60.01 26.01 0.00 0.00
40
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41
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42
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44
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47
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48
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49
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50
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51
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52
+ ATOM 52 C PTH 1 21.52 61.01 32.01 0.00 0.00
53
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54
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55
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56
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58
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60
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61
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63
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64
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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78
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79
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80
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
+ ATOM 93 C PTH 1 23.52 59.01 29.01 0.00 0.00
94
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95
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96
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97
+ ATOM 97 C PTH 1 23.52 60.01 27.01 0.00 0.00
98
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99
+ ATOM 99 C PTH 1 23.52 60.01 29.01 0.00 0.00
100
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101
+ ATOM 101 C PTH 1 23.52 60.01 31.01 0.00 0.00
102
+ ATOM 102 C PTH 1 23.52 61.01 27.01 0.00 0.00
103
+ ATOM 103 C PTH 1 23.52 61.01 28.01 0.00 0.00
104
+ ATOM 104 C PTH 1 23.52 61.01 29.01 0.00 0.00
105
+ ATOM 105 C PTH 1 23.52 61.01 30.01 0.00 0.00
106
+ ATOM 106 C PTH 1 23.52 61.01 31.01 0.00 0.00
107
+ ATOM 107 C PTH 1 23.52 62.01 30.01 0.00 0.00
108
+ ATOM 108 C PTH 1 24.52 58.01 29.01 0.00 0.00
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+ ATOM 109 C PTH 1 24.52 58.01 30.01 0.00 0.00
110
+ ATOM 110 C PTH 1 24.52 59.01 29.01 0.00 0.00
111
+ ATOM 111 C PTH 1 24.52 59.01 30.01 0.00 0.00
112
+ ATOM 112 C PTH 1 24.52 59.01 31.01 0.00 0.00
113
+ ATOM 113 C PTH 1 24.52 60.01 29.01 0.00 0.00
114
+ ATOM 114 C PTH 1 24.52 60.01 30.01 0.00 0.00
115
+ ATOM 115 C PTH 1 24.52 60.01 31.01 0.00 0.00
116
+ ATOM 116 C PTH 1 24.52 61.01 30.01 0.00 0.00
data/files/A001G/pocket_05.pdb ADDED
@@ -0,0 +1,102 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 48.52 75.01 21.01 0.00 0.00
2
+ ATOM 2 C PTH 1 48.52 75.01 22.01 0.00 0.00
3
+ ATOM 3 C PTH 1 48.52 76.01 22.01 0.00 0.00
4
+ ATOM 4 C PTH 1 48.52 77.01 20.01 0.00 0.00
5
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6
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7
+ ATOM 7 C PTH 1 48.52 78.01 21.01 0.00 0.00
8
+ ATOM 8 C PTH 1 48.52 78.01 22.01 0.00 0.00
9
+ ATOM 9 C PTH 1 48.52 79.01 21.01 0.00 0.00
10
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11
+ ATOM 11 C PTH 1 49.52 75.01 20.01 0.00 0.00
12
+ ATOM 12 C PTH 1 49.52 75.01 21.01 0.00 0.00
13
+ ATOM 13 C PTH 1 49.52 75.01 22.01 0.00 0.00
14
+ ATOM 14 C PTH 1 49.52 76.01 20.01 0.00 0.00
15
+ ATOM 15 C PTH 1 49.52 76.01 21.01 0.00 0.00
16
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17
+ ATOM 17 C PTH 1 49.52 77.01 19.01 0.00 0.00
18
+ ATOM 18 C PTH 1 49.52 77.01 20.01 0.00 0.00
19
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20
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21
+ ATOM 21 C PTH 1 49.52 77.01 23.01 0.00 0.00
22
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23
+ ATOM 23 C PTH 1 49.52 78.01 21.01 0.00 0.00
24
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25
+ ATOM 25 C PTH 1 49.52 79.01 20.01 0.00 0.00
26
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27
+ ATOM 27 C PTH 1 49.52 79.01 22.01 0.00 0.00
28
+ ATOM 28 C PTH 1 50.52 75.01 19.01 0.00 0.00
29
+ ATOM 29 C PTH 1 50.52 75.01 20.01 0.00 0.00
30
+ ATOM 30 C PTH 1 50.52 75.01 21.01 0.00 0.00
31
+ ATOM 31 C PTH 1 50.52 75.01 22.01 0.00 0.00
32
+ ATOM 32 C PTH 1 50.52 76.01 19.01 0.00 0.00
33
+ ATOM 33 C PTH 1 50.52 76.01 20.01 0.00 0.00
34
+ ATOM 34 C PTH 1 50.52 76.01 21.01 0.00 0.00
35
+ ATOM 35 C PTH 1 50.52 76.01 22.01 0.00 0.00
36
+ ATOM 36 C PTH 1 50.52 77.01 19.01 0.00 0.00
37
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38
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39
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40
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41
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42
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43
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44
+ ATOM 44 C PTH 1 50.52 79.01 20.01 0.00 0.00
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46
+ ATOM 46 C PTH 1 51.52 74.01 18.01 0.00 0.00
47
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48
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49
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50
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51
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52
+ ATOM 52 C PTH 1 51.52 75.01 22.01 0.00 0.00
53
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54
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55
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56
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57
+ ATOM 57 C PTH 1 51.52 76.01 22.01 0.00 0.00
58
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59
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60
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61
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62
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63
+ ATOM 63 C PTH 1 51.52 78.01 19.01 0.00 0.00
64
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65
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66
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67
+ ATOM 67 C PTH 1 51.52 79.01 19.01 0.00 0.00
68
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69
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70
+ ATOM 70 C PTH 1 52.52 74.01 18.01 0.00 0.00
71
+ ATOM 71 C PTH 1 52.52 74.01 19.01 0.00 0.00
72
+ ATOM 72 C PTH 1 52.52 74.01 20.01 0.00 0.00
73
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74
+ ATOM 74 C PTH 1 52.52 75.01 19.01 0.00 0.00
75
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76
+ ATOM 76 C PTH 1 52.52 75.01 21.01 0.00 0.00
77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
+ ATOM 88 C PTH 1 53.52 74.01 18.01 0.00 0.00
89
+ ATOM 89 C PTH 1 53.52 74.01 19.01 0.00 0.00
90
+ ATOM 90 C PTH 1 53.52 75.01 18.01 0.00 0.00
91
+ ATOM 91 C PTH 1 53.52 75.01 19.01 0.00 0.00
92
+ ATOM 92 C PTH 1 53.52 75.01 20.01 0.00 0.00
93
+ ATOM 93 C PTH 1 53.52 76.01 18.01 0.00 0.00
94
+ ATOM 94 C PTH 1 53.52 76.01 19.01 0.00 0.00
95
+ ATOM 95 C PTH 1 53.52 76.01 20.01 0.00 0.00
96
+ ATOM 96 C PTH 1 53.52 77.01 18.01 0.00 0.00
97
+ ATOM 97 C PTH 1 53.52 77.01 19.01 0.00 0.00
98
+ ATOM 98 C PTH 1 53.52 77.01 20.01 0.00 0.00
99
+ ATOM 99 C PTH 1 53.52 77.01 21.01 0.00 0.00
100
+ ATOM 100 C PTH 1 53.52 78.01 18.01 0.00 0.00
101
+ ATOM 101 C PTH 1 53.52 78.01 19.01 0.00 0.00
102
+ ATOM 102 C PTH 1 53.52 78.01 20.01 0.00 0.00
data/files/A001G/pocket_06.pdb ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 52.52 70.01 18.01 0.00 0.00
2
+ ATOM 2 C PTH 1 52.52 70.01 19.01 0.00 0.00
3
+ ATOM 3 C PTH 1 52.52 70.01 20.01 0.00 0.00
4
+ ATOM 4 C PTH 1 52.52 71.01 18.01 0.00 0.00
5
+ ATOM 5 C PTH 1 52.52 71.01 19.01 0.00 0.00
6
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7
+ ATOM 7 C PTH 1 52.52 72.01 18.01 0.00 0.00
8
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9
+ ATOM 9 C PTH 1 53.52 69.01 18.01 0.00 0.00
10
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11
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12
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13
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39
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41
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51
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52
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53
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55
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+ ATOM 59 C PTH 1 55.52 72.01 19.01 0.00 0.00
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+ ATOM 61 C PTH 1 56.52 69.01 19.01 0.00 0.00
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+ ATOM 62 C PTH 1 56.52 69.01 20.01 0.00 0.00
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65
+ ATOM 65 C PTH 1 56.52 70.01 21.01 0.00 0.00
data/files/A001G/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A001M/pocket_01.pdb ADDED
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1
+ ATOM 1 C PTH 1 70.15 105.32 37.75 0.00 0.00
2
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
+ ATOM 92 C PTH 1 73.15 102.32 37.75 0.00 0.00
93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
+ ATOM 211 C PTH 1 75.15 100.32 43.75 0.00 0.00
212
+ ATOM 212 C PTH 1 75.15 101.32 40.75 0.00 0.00
213
+ ATOM 213 C PTH 1 75.15 101.32 41.75 0.00 0.00
214
+ ATOM 214 C PTH 1 75.15 101.32 42.75 0.00 0.00
215
+ ATOM 215 C PTH 1 75.15 101.32 43.75 0.00 0.00
216
+ ATOM 216 C PTH 1 75.15 102.32 38.75 0.00 0.00
217
+ ATOM 217 C PTH 1 75.15 102.32 40.75 0.00 0.00
218
+ ATOM 218 C PTH 1 75.15 102.32 41.75 0.00 0.00
219
+ ATOM 219 C PTH 1 75.15 102.32 42.75 0.00 0.00
220
+ ATOM 220 C PTH 1 75.15 103.32 35.75 0.00 0.00
221
+ ATOM 221 C PTH 1 75.15 103.32 36.75 0.00 0.00
222
+ ATOM 222 C PTH 1 75.15 103.32 37.75 0.00 0.00
223
+ ATOM 223 C PTH 1 75.15 103.32 38.75 0.00 0.00
224
+ ATOM 224 C PTH 1 75.15 103.32 39.75 0.00 0.00
225
+ ATOM 225 C PTH 1 75.15 104.32 34.75 0.00 0.00
226
+ ATOM 226 C PTH 1 75.15 104.32 35.75 0.00 0.00
227
+ ATOM 227 C PTH 1 75.15 104.32 36.75 0.00 0.00
228
+ ATOM 228 C PTH 1 75.15 104.32 37.75 0.00 0.00
229
+ ATOM 229 C PTH 1 75.15 104.32 38.75 0.00 0.00
230
+ ATOM 230 C PTH 1 75.15 104.32 39.75 0.00 0.00
231
+ ATOM 231 C PTH 1 75.15 104.32 40.75 0.00 0.00
232
+ ATOM 232 C PTH 1 75.15 105.32 32.75 0.00 0.00
233
+ ATOM 233 C PTH 1 75.15 105.32 33.75 0.00 0.00
234
+ ATOM 234 C PTH 1 75.15 105.32 34.75 0.00 0.00
235
+ ATOM 235 C PTH 1 75.15 105.32 35.75 0.00 0.00
236
+ ATOM 236 C PTH 1 75.15 105.32 36.75 0.00 0.00
237
+ ATOM 237 C PTH 1 75.15 105.32 37.75 0.00 0.00
238
+ ATOM 238 C PTH 1 75.15 105.32 38.75 0.00 0.00
239
+ ATOM 239 C PTH 1 75.15 105.32 39.75 0.00 0.00
240
+ ATOM 240 C PTH 1 75.15 105.32 40.75 0.00 0.00
241
+ ATOM 241 C PTH 1 75.15 106.32 30.75 0.00 0.00
242
+ ATOM 242 C PTH 1 75.15 106.32 31.75 0.00 0.00
243
+ ATOM 243 C PTH 1 75.15 106.32 32.75 0.00 0.00
244
+ ATOM 244 C PTH 1 75.15 106.32 33.75 0.00 0.00
245
+ ATOM 245 C PTH 1 75.15 106.32 34.75 0.00 0.00
246
+ ATOM 246 C PTH 1 75.15 106.32 35.75 0.00 0.00
247
+ ATOM 247 C PTH 1 75.15 106.32 36.75 0.00 0.00
248
+ ATOM 248 C PTH 1 75.15 106.32 37.75 0.00 0.00
249
+ ATOM 249 C PTH 1 75.15 106.32 38.75 0.00 0.00
250
+ ATOM 250 C PTH 1 75.15 106.32 39.75 0.00 0.00
251
+ ATOM 251 C PTH 1 75.15 106.32 40.75 0.00 0.00
252
+ ATOM 252 C PTH 1 75.15 106.32 41.75 0.00 0.00
253
+ ATOM 253 C PTH 1 75.15 107.32 29.75 0.00 0.00
254
+ ATOM 254 C PTH 1 75.15 107.32 30.75 0.00 0.00
255
+ ATOM 255 C PTH 1 75.15 107.32 31.75 0.00 0.00
256
+ ATOM 256 C PTH 1 75.15 107.32 32.75 0.00 0.00
257
+ ATOM 257 C PTH 1 75.15 107.32 33.75 0.00 0.00
258
+ ATOM 258 C PTH 1 75.15 107.32 34.75 0.00 0.00
259
+ ATOM 259 C PTH 1 75.15 107.32 35.75 0.00 0.00
260
+ ATOM 260 C PTH 1 75.15 107.32 36.75 0.00 0.00
261
+ ATOM 261 C PTH 1 75.15 107.32 37.75 0.00 0.00
262
+ ATOM 262 C PTH 1 75.15 107.32 38.75 0.00 0.00
263
+ ATOM 263 C PTH 1 75.15 107.32 39.75 0.00 0.00
264
+ ATOM 264 C PTH 1 75.15 107.32 40.75 0.00 0.00
265
+ ATOM 265 C PTH 1 75.15 108.32 29.75 0.00 0.00
266
+ ATOM 266 C PTH 1 75.15 108.32 30.75 0.00 0.00
267
+ ATOM 267 C PTH 1 75.15 108.32 31.75 0.00 0.00
268
+ ATOM 268 C PTH 1 75.15 108.32 32.75 0.00 0.00
269
+ ATOM 269 C PTH 1 75.15 108.32 33.75 0.00 0.00
270
+ ATOM 270 C PTH 1 75.15 108.32 34.75 0.00 0.00
271
+ ATOM 271 C PTH 1 75.15 108.32 35.75 0.00 0.00
272
+ ATOM 272 C PTH 1 75.15 108.32 36.75 0.00 0.00
273
+ ATOM 273 C PTH 1 75.15 108.32 37.75 0.00 0.00
274
+ ATOM 274 C PTH 1 75.15 108.32 38.75 0.00 0.00
275
+ ATOM 275 C PTH 1 75.15 108.32 39.75 0.00 0.00
276
+ ATOM 276 C PTH 1 75.15 109.32 29.75 0.00 0.00
277
+ ATOM 277 C PTH 1 75.15 109.32 30.75 0.00 0.00
278
+ ATOM 278 C PTH 1 75.15 109.32 31.75 0.00 0.00
279
+ ATOM 279 C PTH 1 75.15 109.32 32.75 0.00 0.00
280
+ ATOM 280 C PTH 1 76.15 103.32 35.75 0.00 0.00
281
+ ATOM 281 C PTH 1 76.15 103.32 36.75 0.00 0.00
282
+ ATOM 282 C PTH 1 76.15 103.32 37.75 0.00 0.00
283
+ ATOM 283 C PTH 1 76.15 104.32 32.75 0.00 0.00
284
+ ATOM 284 C PTH 1 76.15 104.32 33.75 0.00 0.00
285
+ ATOM 285 C PTH 1 76.15 104.32 34.75 0.00 0.00
286
+ ATOM 286 C PTH 1 76.15 104.32 35.75 0.00 0.00
287
+ ATOM 287 C PTH 1 76.15 104.32 36.75 0.00 0.00
288
+ ATOM 288 C PTH 1 76.15 104.32 37.75 0.00 0.00
289
+ ATOM 289 C PTH 1 76.15 105.32 30.75 0.00 0.00
290
+ ATOM 290 C PTH 1 76.15 105.32 31.75 0.00 0.00
291
+ ATOM 291 C PTH 1 76.15 105.32 32.75 0.00 0.00
292
+ ATOM 292 C PTH 1 76.15 105.32 33.75 0.00 0.00
293
+ ATOM 293 C PTH 1 76.15 105.32 34.75 0.00 0.00
294
+ ATOM 294 C PTH 1 76.15 105.32 35.75 0.00 0.00
295
+ ATOM 295 C PTH 1 76.15 105.32 36.75 0.00 0.00
296
+ ATOM 296 C PTH 1 76.15 105.32 37.75 0.00 0.00
297
+ ATOM 297 C PTH 1 76.15 105.32 38.75 0.00 0.00
298
+ ATOM 298 C PTH 1 76.15 106.32 29.75 0.00 0.00
299
+ ATOM 299 C PTH 1 76.15 106.32 30.75 0.00 0.00
300
+ ATOM 300 C PTH 1 76.15 106.32 31.75 0.00 0.00
301
+ ATOM 301 C PTH 1 76.15 106.32 32.75 0.00 0.00
302
+ ATOM 302 C PTH 1 76.15 106.32 33.75 0.00 0.00
303
+ ATOM 303 C PTH 1 76.15 106.32 34.75 0.00 0.00
304
+ ATOM 304 C PTH 1 76.15 106.32 35.75 0.00 0.00
305
+ ATOM 305 C PTH 1 76.15 106.32 36.75 0.00 0.00
306
+ ATOM 306 C PTH 1 76.15 106.32 37.75 0.00 0.00
307
+ ATOM 307 C PTH 1 76.15 106.32 38.75 0.00 0.00
308
+ ATOM 308 C PTH 1 76.15 107.32 28.75 0.00 0.00
309
+ ATOM 309 C PTH 1 76.15 107.32 29.75 0.00 0.00
310
+ ATOM 310 C PTH 1 76.15 107.32 30.75 0.00 0.00
311
+ ATOM 311 C PTH 1 76.15 107.32 31.75 0.00 0.00
312
+ ATOM 312 C PTH 1 76.15 107.32 32.75 0.00 0.00
313
+ ATOM 313 C PTH 1 76.15 107.32 33.75 0.00 0.00
314
+ ATOM 314 C PTH 1 76.15 107.32 34.75 0.00 0.00
315
+ ATOM 315 C PTH 1 76.15 107.32 35.75 0.00 0.00
316
+ ATOM 316 C PTH 1 76.15 107.32 36.75 0.00 0.00
317
+ ATOM 317 C PTH 1 76.15 107.32 37.75 0.00 0.00
318
+ ATOM 318 C PTH 1 76.15 107.32 38.75 0.00 0.00
319
+ ATOM 319 C PTH 1 76.15 107.32 39.75 0.00 0.00
320
+ ATOM 320 C PTH 1 76.15 108.32 28.75 0.00 0.00
321
+ ATOM 321 C PTH 1 76.15 108.32 29.75 0.00 0.00
322
+ ATOM 322 C PTH 1 76.15 108.32 30.75 0.00 0.00
323
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324
+ ATOM 324 C PTH 1 76.15 108.32 32.75 0.00 0.00
325
+ ATOM 325 C PTH 1 76.15 108.32 33.75 0.00 0.00
326
+ ATOM 326 C PTH 1 76.15 108.32 34.75 0.00 0.00
327
+ ATOM 327 C PTH 1 76.15 108.32 35.75 0.00 0.00
328
+ ATOM 328 C PTH 1 76.15 108.32 36.75 0.00 0.00
329
+ ATOM 329 C PTH 1 76.15 108.32 37.75 0.00 0.00
330
+ ATOM 330 C PTH 1 76.15 108.32 38.75 0.00 0.00
331
+ ATOM 331 C PTH 1 76.15 108.32 39.75 0.00 0.00
332
+ ATOM 332 C PTH 1 76.15 108.32 40.75 0.00 0.00
333
+ ATOM 333 C PTH 1 76.15 108.32 41.75 0.00 0.00
334
+ ATOM 334 C PTH 1 76.15 109.32 28.75 0.00 0.00
335
+ ATOM 335 C PTH 1 76.15 109.32 29.75 0.00 0.00
336
+ ATOM 336 C PTH 1 76.15 109.32 30.75 0.00 0.00
337
+ ATOM 337 C PTH 1 76.15 109.32 31.75 0.00 0.00
338
+ ATOM 338 C PTH 1 76.15 109.32 32.75 0.00 0.00
339
+ ATOM 339 C PTH 1 76.15 109.32 33.75 0.00 0.00
340
+ ATOM 340 C PTH 1 76.15 109.32 39.75 0.00 0.00
341
+ ATOM 341 C PTH 1 76.15 109.32 40.75 0.00 0.00
342
+ ATOM 342 C PTH 1 76.15 110.32 28.75 0.00 0.00
343
+ ATOM 343 C PTH 1 76.15 110.32 29.75 0.00 0.00
344
+ ATOM 344 C PTH 1 76.15 110.32 30.75 0.00 0.00
345
+ ATOM 345 C PTH 1 76.15 110.32 31.75 0.00 0.00
346
+ ATOM 346 C PTH 1 77.15 104.32 30.75 0.00 0.00
347
+ ATOM 347 C PTH 1 77.15 104.32 31.75 0.00 0.00
348
+ ATOM 348 C PTH 1 77.15 104.32 32.75 0.00 0.00
349
+ ATOM 349 C PTH 1 77.15 104.32 33.75 0.00 0.00
350
+ ATOM 350 C PTH 1 77.15 104.32 34.75 0.00 0.00
351
+ ATOM 351 C PTH 1 77.15 104.32 35.75 0.00 0.00
352
+ ATOM 352 C PTH 1 77.15 104.32 36.75 0.00 0.00
353
+ ATOM 353 C PTH 1 77.15 105.32 29.75 0.00 0.00
354
+ ATOM 354 C PTH 1 77.15 105.32 30.75 0.00 0.00
355
+ ATOM 355 C PTH 1 77.15 105.32 31.75 0.00 0.00
356
+ ATOM 356 C PTH 1 77.15 105.32 32.75 0.00 0.00
357
+ ATOM 357 C PTH 1 77.15 105.32 33.75 0.00 0.00
358
+ ATOM 358 C PTH 1 77.15 105.32 34.75 0.00 0.00
359
+ ATOM 359 C PTH 1 77.15 105.32 35.75 0.00 0.00
360
+ ATOM 360 C PTH 1 77.15 105.32 36.75 0.00 0.00
361
+ ATOM 361 C PTH 1 77.15 105.32 37.75 0.00 0.00
362
+ ATOM 362 C PTH 1 77.15 106.32 28.75 0.00 0.00
363
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364
+ ATOM 364 C PTH 1 77.15 106.32 30.75 0.00 0.00
365
+ ATOM 365 C PTH 1 77.15 106.32 31.75 0.00 0.00
366
+ ATOM 366 C PTH 1 77.15 106.32 32.75 0.00 0.00
367
+ ATOM 367 C PTH 1 77.15 106.32 33.75 0.00 0.00
368
+ ATOM 368 C PTH 1 77.15 106.32 34.75 0.00 0.00
369
+ ATOM 369 C PTH 1 77.15 106.32 35.75 0.00 0.00
370
+ ATOM 370 C PTH 1 77.15 106.32 36.75 0.00 0.00
371
+ ATOM 371 C PTH 1 77.15 106.32 37.75 0.00 0.00
372
+ ATOM 372 C PTH 1 77.15 107.32 28.75 0.00 0.00
373
+ ATOM 373 C PTH 1 77.15 107.32 29.75 0.00 0.00
374
+ ATOM 374 C PTH 1 77.15 107.32 30.75 0.00 0.00
375
+ ATOM 375 C PTH 1 77.15 107.32 31.75 0.00 0.00
376
+ ATOM 376 C PTH 1 77.15 107.32 32.75 0.00 0.00
377
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378
+ ATOM 378 C PTH 1 77.15 107.32 34.75 0.00 0.00
379
+ ATOM 379 C PTH 1 77.15 107.32 35.75 0.00 0.00
380
+ ATOM 380 C PTH 1 77.15 107.32 36.75 0.00 0.00
381
+ ATOM 381 C PTH 1 77.15 107.32 37.75 0.00 0.00
382
+ ATOM 382 C PTH 1 77.15 107.32 38.75 0.00 0.00
383
+ ATOM 383 C PTH 1 77.15 108.32 27.75 0.00 0.00
384
+ ATOM 384 C PTH 1 77.15 108.32 28.75 0.00 0.00
385
+ ATOM 385 C PTH 1 77.15 108.32 29.75 0.00 0.00
386
+ ATOM 386 C PTH 1 77.15 108.32 30.75 0.00 0.00
387
+ ATOM 387 C PTH 1 77.15 108.32 31.75 0.00 0.00
388
+ ATOM 388 C PTH 1 77.15 108.32 32.75 0.00 0.00
389
+ ATOM 389 C PTH 1 77.15 108.32 33.75 0.00 0.00
390
+ ATOM 390 C PTH 1 77.15 108.32 34.75 0.00 0.00
391
+ ATOM 391 C PTH 1 77.15 108.32 35.75 0.00 0.00
392
+ ATOM 392 C PTH 1 77.15 109.32 27.75 0.00 0.00
393
+ ATOM 393 C PTH 1 77.15 109.32 28.75 0.00 0.00
394
+ ATOM 394 C PTH 1 77.15 109.32 29.75 0.00 0.00
395
+ ATOM 395 C PTH 1 77.15 109.32 30.75 0.00 0.00
396
+ ATOM 396 C PTH 1 77.15 109.32 31.75 0.00 0.00
397
+ ATOM 397 C PTH 1 77.15 109.32 32.75 0.00 0.00
398
+ ATOM 398 C PTH 1 77.15 109.32 33.75 0.00 0.00
399
+ ATOM 399 C PTH 1 77.15 110.32 27.75 0.00 0.00
400
+ ATOM 400 C PTH 1 77.15 110.32 28.75 0.00 0.00
401
+ ATOM 401 C PTH 1 77.15 110.32 29.75 0.00 0.00
402
+ ATOM 402 C PTH 1 77.15 110.32 30.75 0.00 0.00
403
+ ATOM 403 C PTH 1 77.15 110.32 31.75 0.00 0.00
404
+ ATOM 404 C PTH 1 78.15 104.32 30.75 0.00 0.00
405
+ ATOM 405 C PTH 1 78.15 104.32 31.75 0.00 0.00
406
+ ATOM 406 C PTH 1 78.15 104.32 32.75 0.00 0.00
407
+ ATOM 407 C PTH 1 78.15 104.32 33.75 0.00 0.00
408
+ ATOM 408 C PTH 1 78.15 104.32 34.75 0.00 0.00
409
+ ATOM 409 C PTH 1 78.15 105.32 29.75 0.00 0.00
410
+ ATOM 410 C PTH 1 78.15 105.32 30.75 0.00 0.00
411
+ ATOM 411 C PTH 1 78.15 105.32 31.75 0.00 0.00
412
+ ATOM 412 C PTH 1 78.15 105.32 32.75 0.00 0.00
413
+ ATOM 413 C PTH 1 78.15 105.32 33.75 0.00 0.00
414
+ ATOM 414 C PTH 1 78.15 105.32 34.75 0.00 0.00
415
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416
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417
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418
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419
+ ATOM 419 C PTH 1 78.15 106.32 30.75 0.00 0.00
420
+ ATOM 420 C PTH 1 78.15 106.32 31.75 0.00 0.00
421
+ ATOM 421 C PTH 1 78.15 106.32 32.75 0.00 0.00
422
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423
+ ATOM 423 C PTH 1 78.15 106.32 34.75 0.00 0.00
424
+ ATOM 424 C PTH 1 78.15 106.32 35.75 0.00 0.00
425
+ ATOM 425 C PTH 1 78.15 106.32 36.75 0.00 0.00
426
+ ATOM 426 C PTH 1 78.15 106.32 37.75 0.00 0.00
427
+ ATOM 427 C PTH 1 78.15 107.32 28.75 0.00 0.00
428
+ ATOM 428 C PTH 1 78.15 107.32 29.75 0.00 0.00
429
+ ATOM 429 C PTH 1 78.15 107.32 30.75 0.00 0.00
430
+ ATOM 430 C PTH 1 78.15 107.32 31.75 0.00 0.00
431
+ ATOM 431 C PTH 1 78.15 107.32 32.75 0.00 0.00
432
+ ATOM 432 C PTH 1 78.15 107.32 33.75 0.00 0.00
433
+ ATOM 433 C PTH 1 78.15 107.32 34.75 0.00 0.00
434
+ ATOM 434 C PTH 1 78.15 107.32 35.75 0.00 0.00
435
+ ATOM 435 C PTH 1 78.15 107.32 36.75 0.00 0.00
436
+ ATOM 436 C PTH 1 78.15 108.32 27.75 0.00 0.00
437
+ ATOM 437 C PTH 1 78.15 108.32 28.75 0.00 0.00
438
+ ATOM 438 C PTH 1 78.15 108.32 29.75 0.00 0.00
439
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440
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441
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442
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443
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444
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445
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446
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447
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448
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449
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450
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451
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452
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453
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454
+ ATOM 454 C PTH 1 79.15 104.32 30.75 0.00 0.00
455
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456
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457
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458
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459
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460
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461
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462
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463
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464
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465
+ ATOM 465 C PTH 1 79.15 106.32 29.75 0.00 0.00
466
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467
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468
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469
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470
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471
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472
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473
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474
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475
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476
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477
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478
+ ATOM 478 C PTH 1 79.15 107.32 34.75 0.00 0.00
479
+ ATOM 479 C PTH 1 79.15 108.32 27.75 0.00 0.00
480
+ ATOM 480 C PTH 1 79.15 108.32 28.75 0.00 0.00
481
+ ATOM 481 C PTH 1 79.15 108.32 29.75 0.00 0.00
482
+ ATOM 482 C PTH 1 79.15 108.32 30.75 0.00 0.00
483
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484
+ ATOM 484 C PTH 1 79.15 109.32 27.75 0.00 0.00
485
+ ATOM 485 C PTH 1 79.15 109.32 28.75 0.00 0.00
486
+ ATOM 486 C PTH 1 79.15 109.32 29.75 0.00 0.00
487
+ ATOM 487 C PTH 1 79.15 109.32 30.75 0.00 0.00
488
+ ATOM 488 C PTH 1 79.15 110.32 27.75 0.00 0.00
489
+ ATOM 489 C PTH 1 79.15 110.32 28.75 0.00 0.00
490
+ ATOM 490 C PTH 1 80.15 107.32 29.75 0.00 0.00
491
+ ATOM 491 C PTH 1 80.15 108.32 28.75 0.00 0.00
492
+ ATOM 492 C PTH 1 80.15 108.32 29.75 0.00 0.00
493
+ ATOM 493 C PTH 1 80.15 109.32 27.75 0.00 0.00
494
+ ATOM 494 C PTH 1 80.15 109.32 28.75 0.00 0.00
495
+ ATOM 495 C PTH 1 80.15 110.32 27.75 0.00 0.00
data/files/A001M/pocket_02.pdb ADDED
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1
+ ATOM 1 C PTH 1 128.15 91.32 28.75 0.00 0.00
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255
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256
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265
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267
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268
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269
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271
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272
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273
+ ATOM 273 C PTH 1 134.15 105.32 28.75 0.00 0.00
274
+ ATOM 274 C PTH 1 135.15 96.32 24.75 0.00 0.00
275
+ ATOM 275 C PTH 1 135.15 97.32 23.75 0.00 0.00
276
+ ATOM 276 C PTH 1 135.15 97.32 24.75 0.00 0.00
277
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278
+ ATOM 278 C PTH 1 135.15 98.32 22.75 0.00 0.00
279
+ ATOM 279 C PTH 1 135.15 98.32 23.75 0.00 0.00
280
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281
+ ATOM 281 C PTH 1 135.15 98.32 25.75 0.00 0.00
282
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283
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284
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285
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286
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287
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288
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289
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290
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291
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292
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293
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294
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295
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296
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297
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298
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299
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300
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301
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302
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303
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304
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305
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306
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307
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308
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309
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310
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311
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312
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313
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314
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315
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316
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317
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318
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319
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320
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321
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322
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323
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324
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325
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326
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327
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328
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329
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330
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331
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332
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333
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334
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335
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336
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337
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338
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339
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340
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341
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342
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343
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344
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345
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346
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347
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348
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349
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350
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351
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352
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353
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354
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355
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356
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357
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358
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359
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360
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361
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362
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363
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364
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365
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366
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367
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368
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369
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370
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371
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372
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373
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374
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375
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377
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379
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380
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381
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382
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383
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384
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385
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386
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387
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388
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389
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390
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391
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392
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393
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394
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395
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396
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397
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398
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399
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400
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401
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402
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403
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404
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405
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406
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407
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408
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410
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411
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412
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413
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414
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415
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416
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417
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418
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419
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420
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421
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422
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423
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424
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425
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426
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427
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428
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430
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431
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432
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433
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458
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459
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460
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469
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471
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472
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473
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475
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476
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477
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478
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479
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480
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481
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482
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483
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484
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485
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487
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490
+ ATOM 490 C PTH 1 139.15 101.32 25.75 0.00 0.00
data/files/A001M/pocket_03.pdb ADDED
@@ -0,0 +1,193 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 139.15 128.32 32.75 0.00 0.00
2
+ ATOM 2 C PTH 1 139.15 128.32 33.75 0.00 0.00
3
+ ATOM 3 C PTH 1 139.15 129.32 31.75 0.00 0.00
4
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5
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6
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7
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9
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11
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12
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13
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14
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15
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18
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19
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20
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21
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25
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27
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28
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29
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30
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31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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43
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45
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
+ ATOM 63 C PTH 1 140.15 134.32 34.75 0.00 0.00
64
+ ATOM 64 C PTH 1 140.15 135.32 32.75 0.00 0.00
65
+ ATOM 65 C PTH 1 140.15 135.32 33.75 0.00 0.00
66
+ ATOM 66 C PTH 1 140.15 135.32 34.75 0.00 0.00
67
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68
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179
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180
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181
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+ ATOM 193 C PTH 1 144.15 130.32 31.75 0.00 0.00
data/files/A001M/pocket_04.pdb ADDED
@@ -0,0 +1,190 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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2
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56
+ ATOM 56 C PTH 1 158.15 108.32 56.75 0.00 0.00
57
+ ATOM 57 C PTH 1 158.15 108.32 57.75 0.00 0.00
58
+ ATOM 58 C PTH 1 158.15 108.32 58.75 0.00 0.00
59
+ ATOM 59 C PTH 1 158.15 108.32 59.75 0.00 0.00
60
+ ATOM 60 C PTH 1 158.15 109.32 52.75 0.00 0.00
61
+ ATOM 61 C PTH 1 158.15 109.32 53.75 0.00 0.00
62
+ ATOM 62 C PTH 1 158.15 109.32 54.75 0.00 0.00
63
+ ATOM 63 C PTH 1 158.15 109.32 55.75 0.00 0.00
64
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65
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66
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67
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68
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69
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70
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71
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72
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73
+ ATOM 73 C PTH 1 159.15 103.32 58.75 0.00 0.00
74
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75
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76
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77
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78
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79
+ ATOM 79 C PTH 1 159.15 105.32 55.75 0.00 0.00
80
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81
+ ATOM 81 C PTH 1 159.15 105.32 57.75 0.00 0.00
82
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83
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84
+ ATOM 84 C PTH 1 159.15 106.32 53.75 0.00 0.00
85
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86
+ ATOM 86 C PTH 1 159.15 106.32 55.75 0.00 0.00
87
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88
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89
+ ATOM 89 C PTH 1 159.15 106.32 58.75 0.00 0.00
90
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91
+ ATOM 91 C PTH 1 159.15 107.32 53.75 0.00 0.00
92
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93
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94
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95
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96
+ ATOM 96 C PTH 1 159.15 107.32 58.75 0.00 0.00
97
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98
+ ATOM 98 C PTH 1 159.15 108.32 52.75 0.00 0.00
99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
+ ATOM 121 C PTH 1 160.15 104.32 56.75 0.00 0.00
122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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139
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140
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141
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142
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143
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
+ ATOM 157 C PTH 1 160.15 110.32 52.75 0.00 0.00
158
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159
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160
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161
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162
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163
+ ATOM 163 C PTH 1 161.15 105.32 55.75 0.00 0.00
164
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165
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166
+ ATOM 166 C PTH 1 161.15 105.32 58.75 0.00 0.00
167
+ ATOM 167 C PTH 1 161.15 106.32 55.75 0.00 0.00
168
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169
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170
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171
+ ATOM 171 C PTH 1 161.15 107.32 54.75 0.00 0.00
172
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173
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174
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175
+ ATOM 175 C PTH 1 161.15 107.32 58.75 0.00 0.00
176
+ ATOM 176 C PTH 1 161.15 108.32 54.75 0.00 0.00
177
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178
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179
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180
+ ATOM 180 C PTH 1 161.15 108.32 58.75 0.00 0.00
181
+ ATOM 181 C PTH 1 161.15 109.32 54.75 0.00 0.00
182
+ ATOM 182 C PTH 1 161.15 109.32 55.75 0.00 0.00
183
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184
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185
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186
+ ATOM 186 C PTH 1 161.15 110.32 56.75 0.00 0.00
data/files/A001M/pocket_07.pdb ADDED
@@ -0,0 +1,177 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 138.15 101.32 74.75 0.00 0.00
2
+ ATOM 2 C PTH 1 139.15 99.32 74.75 0.00 0.00
3
+ ATOM 3 C PTH 1 139.15 99.32 75.75 0.00 0.00
4
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5
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6
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7
+ ATOM 7 C PTH 1 139.15 100.32 75.75 0.00 0.00
8
+ ATOM 8 C PTH 1 139.15 100.32 76.75 0.00 0.00
9
+ ATOM 9 C PTH 1 139.15 100.32 77.75 0.00 0.00
10
+ ATOM 10 C PTH 1 139.15 101.32 71.75 0.00 0.00
11
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12
+ ATOM 12 C PTH 1 139.15 101.32 73.75 0.00 0.00
13
+ ATOM 13 C PTH 1 139.15 101.32 74.75 0.00 0.00
14
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15
+ ATOM 15 C PTH 1 139.15 101.32 76.75 0.00 0.00
16
+ ATOM 16 C PTH 1 139.15 101.32 77.75 0.00 0.00
17
+ ATOM 17 C PTH 1 139.15 102.32 71.75 0.00 0.00
18
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19
+ ATOM 19 C PTH 1 139.15 102.32 73.75 0.00 0.00
20
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21
+ ATOM 21 C PTH 1 139.15 102.32 75.75 0.00 0.00
22
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23
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24
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25
+ ATOM 25 C PTH 1 139.15 103.32 73.75 0.00 0.00
26
+ ATOM 26 C PTH 1 140.15 99.32 73.75 0.00 0.00
27
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28
+ ATOM 28 C PTH 1 140.15 99.32 75.75 0.00 0.00
29
+ ATOM 29 C PTH 1 140.15 99.32 76.75 0.00 0.00
30
+ ATOM 30 C PTH 1 140.15 100.32 71.75 0.00 0.00
31
+ ATOM 31 C PTH 1 140.15 100.32 72.75 0.00 0.00
32
+ ATOM 32 C PTH 1 140.15 100.32 73.75 0.00 0.00
33
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34
+ ATOM 34 C PTH 1 140.15 100.32 75.75 0.00 0.00
35
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36
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37
+ ATOM 37 C PTH 1 140.15 101.32 69.75 0.00 0.00
38
+ ATOM 38 C PTH 1 140.15 101.32 70.75 0.00 0.00
39
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40
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41
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42
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43
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44
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45
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46
+ ATOM 46 C PTH 1 140.15 102.32 69.75 0.00 0.00
47
+ ATOM 47 C PTH 1 140.15 102.32 70.75 0.00 0.00
48
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49
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50
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51
+ ATOM 51 C PTH 1 140.15 102.32 74.75 0.00 0.00
52
+ ATOM 52 C PTH 1 140.15 102.32 75.75 0.00 0.00
53
+ ATOM 53 C PTH 1 140.15 102.32 76.75 0.00 0.00
54
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55
+ ATOM 55 C PTH 1 140.15 103.32 69.75 0.00 0.00
56
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57
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58
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59
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60
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61
+ ATOM 61 C PTH 1 140.15 103.32 75.75 0.00 0.00
62
+ ATOM 62 C PTH 1 140.15 104.32 70.75 0.00 0.00
63
+ ATOM 63 C PTH 1 141.15 99.32 73.75 0.00 0.00
64
+ ATOM 64 C PTH 1 141.15 99.32 74.75 0.00 0.00
65
+ ATOM 65 C PTH 1 141.15 99.32 75.75 0.00 0.00
66
+ ATOM 66 C PTH 1 141.15 99.32 76.75 0.00 0.00
67
+ ATOM 67 C PTH 1 141.15 100.32 70.75 0.00 0.00
68
+ ATOM 68 C PTH 1 141.15 100.32 71.75 0.00 0.00
69
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70
+ ATOM 70 C PTH 1 141.15 100.32 73.75 0.00 0.00
71
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72
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73
+ ATOM 73 C PTH 1 141.15 100.32 76.75 0.00 0.00
74
+ ATOM 74 C PTH 1 141.15 100.32 77.75 0.00 0.00
75
+ ATOM 75 C PTH 1 141.15 101.32 69.75 0.00 0.00
76
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77
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78
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79
+ ATOM 79 C PTH 1 141.15 101.32 73.75 0.00 0.00
80
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81
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82
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83
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84
+ ATOM 84 C PTH 1 141.15 102.32 68.75 0.00 0.00
85
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86
+ ATOM 86 C PTH 1 141.15 102.32 70.75 0.00 0.00
87
+ ATOM 87 C PTH 1 141.15 102.32 71.75 0.00 0.00
88
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89
+ ATOM 89 C PTH 1 141.15 102.32 73.75 0.00 0.00
90
+ ATOM 90 C PTH 1 141.15 102.32 74.75 0.00 0.00
91
+ ATOM 91 C PTH 1 141.15 102.32 75.75 0.00 0.00
92
+ ATOM 92 C PTH 1 141.15 102.32 76.75 0.00 0.00
93
+ ATOM 93 C PTH 1 141.15 102.32 77.75 0.00 0.00
94
+ ATOM 94 C PTH 1 141.15 103.32 69.75 0.00 0.00
95
+ ATOM 95 C PTH 1 141.15 103.32 70.75 0.00 0.00
96
+ ATOM 96 C PTH 1 141.15 103.32 71.75 0.00 0.00
97
+ ATOM 97 C PTH 1 141.15 103.32 72.75 0.00 0.00
98
+ ATOM 98 C PTH 1 141.15 103.32 73.75 0.00 0.00
99
+ ATOM 99 C PTH 1 141.15 103.32 74.75 0.00 0.00
100
+ ATOM 100 C PTH 1 141.15 103.32 75.75 0.00 0.00
101
+ ATOM 101 C PTH 1 141.15 104.32 69.75 0.00 0.00
102
+ ATOM 102 C PTH 1 141.15 104.32 70.75 0.00 0.00
103
+ ATOM 103 C PTH 1 141.15 104.32 71.75 0.00 0.00
104
+ ATOM 104 C PTH 1 141.15 104.32 72.75 0.00 0.00
105
+ ATOM 105 C PTH 1 142.15 99.32 74.75 0.00 0.00
106
+ ATOM 106 C PTH 1 142.15 99.32 75.75 0.00 0.00
107
+ ATOM 107 C PTH 1 142.15 99.32 76.75 0.00 0.00
108
+ ATOM 108 C PTH 1 142.15 100.32 69.75 0.00 0.00
109
+ ATOM 109 C PTH 1 142.15 100.32 70.75 0.00 0.00
110
+ ATOM 110 C PTH 1 142.15 100.32 71.75 0.00 0.00
111
+ ATOM 111 C PTH 1 142.15 100.32 72.75 0.00 0.00
112
+ ATOM 112 C PTH 1 142.15 100.32 73.75 0.00 0.00
113
+ ATOM 113 C PTH 1 142.15 100.32 74.75 0.00 0.00
114
+ ATOM 114 C PTH 1 142.15 100.32 75.75 0.00 0.00
115
+ ATOM 115 C PTH 1 142.15 100.32 76.75 0.00 0.00
116
+ ATOM 116 C PTH 1 142.15 100.32 77.75 0.00 0.00
117
+ ATOM 117 C PTH 1 142.15 101.32 68.75 0.00 0.00
118
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119
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120
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121
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122
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123
+ ATOM 123 C PTH 1 142.15 101.32 74.75 0.00 0.00
124
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125
+ ATOM 125 C PTH 1 142.15 101.32 76.75 0.00 0.00
126
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127
+ ATOM 127 C PTH 1 142.15 102.32 68.75 0.00 0.00
128
+ ATOM 128 C PTH 1 142.15 102.32 69.75 0.00 0.00
129
+ ATOM 129 C PTH 1 142.15 102.32 70.75 0.00 0.00
130
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131
+ ATOM 131 C PTH 1 142.15 102.32 72.75 0.00 0.00
132
+ ATOM 132 C PTH 1 142.15 102.32 73.75 0.00 0.00
133
+ ATOM 133 C PTH 1 142.15 102.32 74.75 0.00 0.00
134
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135
+ ATOM 135 C PTH 1 142.15 102.32 76.75 0.00 0.00
136
+ ATOM 136 C PTH 1 142.15 102.32 77.75 0.00 0.00
137
+ ATOM 137 C PTH 1 142.15 103.32 68.75 0.00 0.00
138
+ ATOM 138 C PTH 1 142.15 103.32 69.75 0.00 0.00
139
+ ATOM 139 C PTH 1 142.15 103.32 70.75 0.00 0.00
140
+ ATOM 140 C PTH 1 142.15 103.32 71.75 0.00 0.00
141
+ ATOM 141 C PTH 1 142.15 103.32 72.75 0.00 0.00
142
+ ATOM 142 C PTH 1 142.15 103.32 73.75 0.00 0.00
143
+ ATOM 143 C PTH 1 142.15 103.32 74.75 0.00 0.00
144
+ ATOM 144 C PTH 1 142.15 104.32 69.75 0.00 0.00
145
+ ATOM 145 C PTH 1 142.15 104.32 70.75 0.00 0.00
146
+ ATOM 146 C PTH 1 142.15 104.32 71.75 0.00 0.00
147
+ ATOM 147 C PTH 1 142.15 104.32 72.75 0.00 0.00
148
+ ATOM 148 C PTH 1 142.15 105.32 69.75 0.00 0.00
149
+ ATOM 149 C PTH 1 142.15 105.32 70.75 0.00 0.00
150
+ ATOM 150 C PTH 1 143.15 100.32 73.75 0.00 0.00
151
+ ATOM 151 C PTH 1 143.15 100.32 74.75 0.00 0.00
152
+ ATOM 152 C PTH 1 143.15 100.32 75.75 0.00 0.00
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data/files/A001M/pocket_08.pdb ADDED
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data/files/A001M/pocket_09.pdb ADDED
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83
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95
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96
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100
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107
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135
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140
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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158
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159
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160
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164
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165
+ ATOM 165 C PTH 1 120.15 104.32 36.75 0.00 0.00
166
+ ATOM 166 C PTH 1 120.15 104.32 37.75 0.00 0.00
data/files/A001M/pocket_10.pdb ADDED
@@ -0,0 +1,165 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 143.15 115.32 61.75 0.00 0.00
2
+ ATOM 2 C PTH 1 143.15 115.32 62.75 0.00 0.00
3
+ ATOM 3 C PTH 1 143.15 116.32 60.75 0.00 0.00
4
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5
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6
+ ATOM 6 C PTH 1 144.15 114.32 59.75 0.00 0.00
7
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8
+ ATOM 8 C PTH 1 144.15 114.32 61.75 0.00 0.00
9
+ ATOM 9 C PTH 1 144.15 114.32 62.75 0.00 0.00
10
+ ATOM 10 C PTH 1 144.15 115.32 58.75 0.00 0.00
11
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12
+ ATOM 12 C PTH 1 144.15 115.32 60.75 0.00 0.00
13
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14
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15
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16
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17
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18
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19
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20
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21
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22
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23
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24
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25
+ ATOM 25 C PTH 1 144.15 118.32 59.75 0.00 0.00
26
+ ATOM 26 C PTH 1 145.15 114.32 58.75 0.00 0.00
27
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28
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29
+ ATOM 29 C PTH 1 145.15 114.32 61.75 0.00 0.00
30
+ ATOM 30 C PTH 1 145.15 115.32 58.75 0.00 0.00
31
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32
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34
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37
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38
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39
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40
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47
+ ATOM 47 C PTH 1 146.15 114.32 58.75 0.00 0.00
48
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49
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52
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53
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
+ ATOM 65 C PTH 1 146.15 117.32 62.75 0.00 0.00
66
+ ATOM 66 C PTH 1 146.15 118.32 58.75 0.00 0.00
67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
+ ATOM 93 C PTH 1 147.15 118.32 61.75 0.00 0.00
94
+ ATOM 94 C PTH 1 147.15 118.32 62.75 0.00 0.00
95
+ ATOM 95 C PTH 1 148.15 114.32 59.75 0.00 0.00
96
+ ATOM 96 C PTH 1 148.15 114.32 60.75 0.00 0.00
97
+ ATOM 97 C PTH 1 148.15 115.32 58.75 0.00 0.00
98
+ ATOM 98 C PTH 1 148.15 115.32 59.75 0.00 0.00
99
+ ATOM 99 C PTH 1 148.15 115.32 60.75 0.00 0.00
100
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101
+ ATOM 101 C PTH 1 148.15 115.32 62.75 0.00 0.00
102
+ ATOM 102 C PTH 1 148.15 116.32 58.75 0.00 0.00
103
+ ATOM 103 C PTH 1 148.15 116.32 59.75 0.00 0.00
104
+ ATOM 104 C PTH 1 148.15 116.32 60.75 0.00 0.00
105
+ ATOM 105 C PTH 1 148.15 116.32 61.75 0.00 0.00
106
+ ATOM 106 C PTH 1 148.15 116.32 62.75 0.00 0.00
107
+ ATOM 107 C PTH 1 148.15 117.32 58.75 0.00 0.00
108
+ ATOM 108 C PTH 1 148.15 117.32 59.75 0.00 0.00
109
+ ATOM 109 C PTH 1 148.15 117.32 60.75 0.00 0.00
110
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111
+ ATOM 111 C PTH 1 148.15 117.32 62.75 0.00 0.00
112
+ ATOM 112 C PTH 1 148.15 117.32 63.75 0.00 0.00
113
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114
+ ATOM 114 C PTH 1 148.15 118.32 59.75 0.00 0.00
115
+ ATOM 115 C PTH 1 148.15 118.32 60.75 0.00 0.00
116
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117
+ ATOM 117 C PTH 1 148.15 118.32 62.75 0.00 0.00
118
+ ATOM 118 C PTH 1 149.15 115.32 58.75 0.00 0.00
119
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120
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124
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130
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132
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133
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135
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136
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137
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138
+ ATOM 138 C PTH 1 150.15 115.32 59.75 0.00 0.00
139
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140
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141
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142
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143
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144
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145
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146
+ ATOM 146 C PTH 1 150.15 117.32 59.75 0.00 0.00
147
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148
+ ATOM 148 C PTH 1 150.15 117.32 61.75 0.00 0.00
149
+ ATOM 149 C PTH 1 150.15 117.32 62.75 0.00 0.00
150
+ ATOM 150 C PTH 1 150.15 118.32 59.75 0.00 0.00
151
+ ATOM 151 C PTH 1 150.15 118.32 60.75 0.00 0.00
152
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153
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154
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155
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156
+ ATOM 156 C PTH 1 151.15 115.32 61.75 0.00 0.00
157
+ ATOM 157 C PTH 1 151.15 116.32 59.75 0.00 0.00
158
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159
+ ATOM 159 C PTH 1 151.15 116.32 61.75 0.00 0.00
160
+ ATOM 160 C PTH 1 151.15 117.32 59.75 0.00 0.00
161
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162
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163
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164
+ ATOM 164 C PTH 1 151.15 118.32 60.75 0.00 0.00
165
+ ATOM 165 C PTH 1 151.15 118.32 61.75 0.00 0.00
data/files/A001M/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A001T/pocket_01.pdb ADDED
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1
+ ATOM 1 C PTH 1 62.32 91.79 40.4 0.00 0.00
2
+ ATOM 2 C PTH 1 62.32 91.79 41.4 0.00 0.00
3
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4
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5
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6
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7
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11
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12
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16
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17
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18
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19
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20
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21
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24
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25
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29
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30
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31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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43
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45
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47
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48
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49
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
+ ATOM 159 C PTH 1 66.32 94.79 45.4 0.00 0.00
160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
+ ATOM 174 C PTH 1 67.32 73.79 44.4 0.00 0.00
175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
+ ATOM 188 C PTH 1 67.32 77.79 51.4 0.00 0.00
189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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228
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229
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230
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231
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232
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233
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234
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235
+ ATOM 235 C PTH 1 67.32 94.79 35.4 0.00 0.00
236
+ ATOM 236 C PTH 1 67.32 94.79 36.4 0.00 0.00
237
+ ATOM 237 C PTH 1 67.32 94.79 37.4 0.00 0.00
238
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239
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240
+ ATOM 240 C PTH 1 67.32 94.79 40.4 0.00 0.00
241
+ ATOM 241 C PTH 1 67.32 94.79 41.4 0.00 0.00
242
+ ATOM 242 C PTH 1 67.32 94.79 42.4 0.00 0.00
243
+ ATOM 243 C PTH 1 67.32 94.79 43.4 0.00 0.00
244
+ ATOM 244 C PTH 1 67.32 94.79 44.4 0.00 0.00
245
+ ATOM 245 C PTH 1 67.32 94.79 45.4 0.00 0.00
246
+ ATOM 246 C PTH 1 67.32 94.79 46.4 0.00 0.00
247
+ ATOM 247 C PTH 1 67.32 95.79 38.4 0.00 0.00
248
+ ATOM 248 C PTH 1 67.32 95.79 39.4 0.00 0.00
249
+ ATOM 249 C PTH 1 67.32 95.79 40.4 0.00 0.00
250
+ ATOM 250 C PTH 1 67.32 95.79 41.4 0.00 0.00
251
+ ATOM 251 C PTH 1 67.32 95.79 42.4 0.00 0.00
252
+ ATOM 252 C PTH 1 67.32 95.79 43.4 0.00 0.00
253
+ ATOM 253 C PTH 1 67.32 95.79 44.4 0.00 0.00
254
+ ATOM 254 C PTH 1 67.32 95.79 45.4 0.00 0.00
255
+ ATOM 255 C PTH 1 67.32 95.79 46.4 0.00 0.00
256
+ ATOM 256 C PTH 1 67.32 96.79 40.4 0.00 0.00
257
+ ATOM 257 C PTH 1 67.32 96.79 41.4 0.00 0.00
258
+ ATOM 258 C PTH 1 67.32 96.79 42.4 0.00 0.00
259
+ ATOM 259 C PTH 1 67.32 96.79 43.4 0.00 0.00
260
+ ATOM 260 C PTH 1 67.32 96.79 44.4 0.00 0.00
261
+ ATOM 261 C PTH 1 68.32 73.79 44.4 0.00 0.00
262
+ ATOM 262 C PTH 1 68.32 73.79 45.4 0.00 0.00
263
+ ATOM 263 C PTH 1 68.32 73.79 46.4 0.00 0.00
264
+ ATOM 264 C PTH 1 68.32 73.79 47.4 0.00 0.00
265
+ ATOM 265 C PTH 1 68.32 74.79 44.4 0.00 0.00
266
+ ATOM 266 C PTH 1 68.32 74.79 45.4 0.00 0.00
267
+ ATOM 267 C PTH 1 68.32 74.79 46.4 0.00 0.00
268
+ ATOM 268 C PTH 1 68.32 74.79 47.4 0.00 0.00
269
+ ATOM 269 C PTH 1 68.32 75.79 44.4 0.00 0.00
270
+ ATOM 270 C PTH 1 68.32 75.79 45.4 0.00 0.00
271
+ ATOM 271 C PTH 1 68.32 75.79 46.4 0.00 0.00
272
+ ATOM 272 C PTH 1 68.32 75.79 47.4 0.00 0.00
273
+ ATOM 273 C PTH 1 68.32 76.79 43.4 0.00 0.00
274
+ ATOM 274 C PTH 1 68.32 76.79 44.4 0.00 0.00
275
+ ATOM 275 C PTH 1 68.32 76.79 45.4 0.00 0.00
276
+ ATOM 276 C PTH 1 68.32 76.79 46.4 0.00 0.00
277
+ ATOM 277 C PTH 1 68.32 76.79 47.4 0.00 0.00
278
+ ATOM 278 C PTH 1 68.32 76.79 52.4 0.00 0.00
279
+ ATOM 279 C PTH 1 68.32 77.79 50.4 0.00 0.00
280
+ ATOM 280 C PTH 1 68.32 77.79 51.4 0.00 0.00
281
+ ATOM 281 C PTH 1 68.32 77.79 52.4 0.00 0.00
282
+ ATOM 282 C PTH 1 68.32 77.79 53.4 0.00 0.00
283
+ ATOM 283 C PTH 1 68.32 77.79 54.4 0.00 0.00
284
+ ATOM 284 C PTH 1 68.32 78.79 49.4 0.00 0.00
285
+ ATOM 285 C PTH 1 68.32 78.79 50.4 0.00 0.00
286
+ ATOM 286 C PTH 1 68.32 78.79 51.4 0.00 0.00
287
+ ATOM 287 C PTH 1 68.32 78.79 52.4 0.00 0.00
288
+ ATOM 288 C PTH 1 68.32 78.79 53.4 0.00 0.00
289
+ ATOM 289 C PTH 1 68.32 78.79 54.4 0.00 0.00
290
+ ATOM 290 C PTH 1 68.32 79.79 41.4 0.00 0.00
291
+ ATOM 291 C PTH 1 68.32 79.79 50.4 0.00 0.00
292
+ ATOM 292 C PTH 1 68.32 79.79 51.4 0.00 0.00
293
+ ATOM 293 C PTH 1 68.32 79.79 52.4 0.00 0.00
294
+ ATOM 294 C PTH 1 68.32 79.79 53.4 0.00 0.00
295
+ ATOM 295 C PTH 1 68.32 79.79 54.4 0.00 0.00
296
+ ATOM 296 C PTH 1 68.32 80.79 50.4 0.00 0.00
297
+ ATOM 297 C PTH 1 68.32 80.79 51.4 0.00 0.00
298
+ ATOM 298 C PTH 1 68.32 80.79 52.4 0.00 0.00
299
+ ATOM 299 C PTH 1 68.32 80.79 53.4 0.00 0.00
300
+ ATOM 300 C PTH 1 68.32 85.79 43.4 0.00 0.00
301
+ ATOM 301 C PTH 1 68.32 85.79 44.4 0.00 0.00
302
+ ATOM 302 C PTH 1 68.32 86.79 43.4 0.00 0.00
303
+ ATOM 303 C PTH 1 68.32 86.79 44.4 0.00 0.00
304
+ ATOM 304 C PTH 1 68.32 86.79 45.4 0.00 0.00
305
+ ATOM 305 C PTH 1 68.32 87.79 44.4 0.00 0.00
306
+ ATOM 306 C PTH 1 68.32 87.79 45.4 0.00 0.00
307
+ ATOM 307 C PTH 1 68.32 87.79 46.4 0.00 0.00
308
+ ATOM 308 C PTH 1 68.32 88.79 44.4 0.00 0.00
309
+ ATOM 309 C PTH 1 68.32 88.79 45.4 0.00 0.00
310
+ ATOM 310 C PTH 1 68.32 88.79 46.4 0.00 0.00
311
+ ATOM 311 C PTH 1 68.32 89.79 45.4 0.00 0.00
312
+ ATOM 312 C PTH 1 68.32 90.79 43.4 0.00 0.00
313
+ ATOM 313 C PTH 1 68.32 90.79 44.4 0.00 0.00
314
+ ATOM 314 C PTH 1 68.32 91.79 36.4 0.00 0.00
315
+ ATOM 315 C PTH 1 68.32 91.79 37.4 0.00 0.00
316
+ ATOM 316 C PTH 1 68.32 91.79 38.4 0.00 0.00
317
+ ATOM 317 C PTH 1 68.32 91.79 39.4 0.00 0.00
318
+ ATOM 318 C PTH 1 68.32 91.79 40.4 0.00 0.00
319
+ ATOM 319 C PTH 1 68.32 91.79 41.4 0.00 0.00
320
+ ATOM 320 C PTH 1 68.32 91.79 42.4 0.00 0.00
321
+ ATOM 321 C PTH 1 68.32 91.79 43.4 0.00 0.00
322
+ ATOM 322 C PTH 1 68.32 91.79 44.4 0.00 0.00
323
+ ATOM 323 C PTH 1 68.32 91.79 45.4 0.00 0.00
324
+ ATOM 324 C PTH 1 68.32 92.79 35.4 0.00 0.00
325
+ ATOM 325 C PTH 1 68.32 92.79 36.4 0.00 0.00
326
+ ATOM 326 C PTH 1 68.32 92.79 37.4 0.00 0.00
327
+ ATOM 327 C PTH 1 68.32 92.79 38.4 0.00 0.00
328
+ ATOM 328 C PTH 1 68.32 92.79 39.4 0.00 0.00
329
+ ATOM 329 C PTH 1 68.32 92.79 40.4 0.00 0.00
330
+ ATOM 330 C PTH 1 68.32 92.79 41.4 0.00 0.00
331
+ ATOM 331 C PTH 1 68.32 92.79 42.4 0.00 0.00
332
+ ATOM 332 C PTH 1 68.32 92.79 43.4 0.00 0.00
333
+ ATOM 333 C PTH 1 68.32 92.79 44.4 0.00 0.00
334
+ ATOM 334 C PTH 1 68.32 92.79 45.4 0.00 0.00
335
+ ATOM 335 C PTH 1 68.32 93.79 35.4 0.00 0.00
336
+ ATOM 336 C PTH 1 68.32 93.79 36.4 0.00 0.00
337
+ ATOM 337 C PTH 1 68.32 93.79 37.4 0.00 0.00
338
+ ATOM 338 C PTH 1 68.32 93.79 38.4 0.00 0.00
339
+ ATOM 339 C PTH 1 68.32 93.79 39.4 0.00 0.00
340
+ ATOM 340 C PTH 1 68.32 93.79 40.4 0.00 0.00
341
+ ATOM 341 C PTH 1 68.32 93.79 41.4 0.00 0.00
342
+ ATOM 342 C PTH 1 68.32 93.79 42.4 0.00 0.00
343
+ ATOM 343 C PTH 1 68.32 93.79 43.4 0.00 0.00
344
+ ATOM 344 C PTH 1 68.32 93.79 44.4 0.00 0.00
345
+ ATOM 345 C PTH 1 68.32 93.79 45.4 0.00 0.00
346
+ ATOM 346 C PTH 1 68.32 93.79 46.4 0.00 0.00
347
+ ATOM 347 C PTH 1 68.32 94.79 35.4 0.00 0.00
348
+ ATOM 348 C PTH 1 68.32 94.79 36.4 0.00 0.00
349
+ ATOM 349 C PTH 1 68.32 94.79 37.4 0.00 0.00
350
+ ATOM 350 C PTH 1 68.32 94.79 38.4 0.00 0.00
351
+ ATOM 351 C PTH 1 68.32 94.79 39.4 0.00 0.00
352
+ ATOM 352 C PTH 1 68.32 94.79 40.4 0.00 0.00
353
+ ATOM 353 C PTH 1 68.32 94.79 41.4 0.00 0.00
354
+ ATOM 354 C PTH 1 68.32 94.79 42.4 0.00 0.00
355
+ ATOM 355 C PTH 1 68.32 94.79 43.4 0.00 0.00
356
+ ATOM 356 C PTH 1 68.32 94.79 44.4 0.00 0.00
357
+ ATOM 357 C PTH 1 68.32 94.79 45.4 0.00 0.00
358
+ ATOM 358 C PTH 1 68.32 94.79 46.4 0.00 0.00
359
+ ATOM 359 C PTH 1 68.32 95.79 35.4 0.00 0.00
360
+ ATOM 360 C PTH 1 68.32 95.79 36.4 0.00 0.00
361
+ ATOM 361 C PTH 1 68.32 95.79 37.4 0.00 0.00
362
+ ATOM 362 C PTH 1 68.32 95.79 38.4 0.00 0.00
363
+ ATOM 363 C PTH 1 68.32 95.79 39.4 0.00 0.00
364
+ ATOM 364 C PTH 1 68.32 95.79 40.4 0.00 0.00
365
+ ATOM 365 C PTH 1 68.32 95.79 41.4 0.00 0.00
366
+ ATOM 366 C PTH 1 68.32 95.79 42.4 0.00 0.00
367
+ ATOM 367 C PTH 1 68.32 95.79 43.4 0.00 0.00
368
+ ATOM 368 C PTH 1 68.32 95.79 44.4 0.00 0.00
369
+ ATOM 369 C PTH 1 68.32 95.79 45.4 0.00 0.00
370
+ ATOM 370 C PTH 1 69.32 72.79 45.4 0.00 0.00
371
+ ATOM 371 C PTH 1 69.32 73.79 44.4 0.00 0.00
372
+ ATOM 372 C PTH 1 69.32 73.79 45.4 0.00 0.00
373
+ ATOM 373 C PTH 1 69.32 73.79 46.4 0.00 0.00
374
+ ATOM 374 C PTH 1 69.32 73.79 47.4 0.00 0.00
375
+ ATOM 375 C PTH 1 69.32 74.79 44.4 0.00 0.00
376
+ ATOM 376 C PTH 1 69.32 74.79 45.4 0.00 0.00
377
+ ATOM 377 C PTH 1 69.32 74.79 46.4 0.00 0.00
378
+ ATOM 378 C PTH 1 69.32 74.79 47.4 0.00 0.00
379
+ ATOM 379 C PTH 1 69.32 75.79 43.4 0.00 0.00
380
+ ATOM 380 C PTH 1 69.32 75.79 44.4 0.00 0.00
381
+ ATOM 381 C PTH 1 69.32 75.79 45.4 0.00 0.00
382
+ ATOM 382 C PTH 1 69.32 75.79 46.4 0.00 0.00
383
+ ATOM 383 C PTH 1 69.32 75.79 47.4 0.00 0.00
384
+ ATOM 384 C PTH 1 69.32 76.79 42.4 0.00 0.00
385
+ ATOM 385 C PTH 1 69.32 76.79 43.4 0.00 0.00
386
+ ATOM 386 C PTH 1 69.32 76.79 44.4 0.00 0.00
387
+ ATOM 387 C PTH 1 69.32 76.79 45.4 0.00 0.00
388
+ ATOM 388 C PTH 1 69.32 76.79 46.4 0.00 0.00
389
+ ATOM 389 C PTH 1 69.32 76.79 47.4 0.00 0.00
390
+ ATOM 390 C PTH 1 69.32 76.79 52.4 0.00 0.00
391
+ ATOM 391 C PTH 1 69.32 76.79 53.4 0.00 0.00
392
+ ATOM 392 C PTH 1 69.32 77.79 41.4 0.00 0.00
393
+ ATOM 393 C PTH 1 69.32 77.79 42.4 0.00 0.00
394
+ ATOM 394 C PTH 1 69.32 77.79 49.4 0.00 0.00
395
+ ATOM 395 C PTH 1 69.32 77.79 50.4 0.00 0.00
396
+ ATOM 396 C PTH 1 69.32 77.79 51.4 0.00 0.00
397
+ ATOM 397 C PTH 1 69.32 77.79 52.4 0.00 0.00
398
+ ATOM 398 C PTH 1 69.32 77.79 53.4 0.00 0.00
399
+ ATOM 399 C PTH 1 69.32 77.79 54.4 0.00 0.00
400
+ ATOM 400 C PTH 1 69.32 78.79 40.4 0.00 0.00
401
+ ATOM 401 C PTH 1 69.32 78.79 41.4 0.00 0.00
402
+ ATOM 402 C PTH 1 69.32 78.79 42.4 0.00 0.00
403
+ ATOM 403 C PTH 1 69.32 78.79 43.4 0.00 0.00
404
+ ATOM 404 C PTH 1 69.32 78.79 49.4 0.00 0.00
405
+ ATOM 405 C PTH 1 69.32 78.79 50.4 0.00 0.00
406
+ ATOM 406 C PTH 1 69.32 78.79 51.4 0.00 0.00
407
+ ATOM 407 C PTH 1 69.32 78.79 52.4 0.00 0.00
408
+ ATOM 408 C PTH 1 69.32 78.79 53.4 0.00 0.00
409
+ ATOM 409 C PTH 1 69.32 78.79 54.4 0.00 0.00
410
+ ATOM 410 C PTH 1 69.32 78.79 55.4 0.00 0.00
411
+ ATOM 411 C PTH 1 69.32 79.79 40.4 0.00 0.00
412
+ ATOM 412 C PTH 1 69.32 79.79 41.4 0.00 0.00
413
+ ATOM 413 C PTH 1 69.32 79.79 42.4 0.00 0.00
414
+ ATOM 414 C PTH 1 69.32 79.79 43.4 0.00 0.00
415
+ ATOM 415 C PTH 1 69.32 79.79 49.4 0.00 0.00
416
+ ATOM 416 C PTH 1 69.32 79.79 50.4 0.00 0.00
417
+ ATOM 417 C PTH 1 69.32 79.79 51.4 0.00 0.00
418
+ ATOM 418 C PTH 1 69.32 79.79 52.4 0.00 0.00
419
+ ATOM 419 C PTH 1 69.32 79.79 53.4 0.00 0.00
420
+ ATOM 420 C PTH 1 69.32 79.79 54.4 0.00 0.00
421
+ ATOM 421 C PTH 1 69.32 80.79 40.4 0.00 0.00
422
+ ATOM 422 C PTH 1 69.32 80.79 41.4 0.00 0.00
423
+ ATOM 423 C PTH 1 69.32 80.79 42.4 0.00 0.00
424
+ ATOM 424 C PTH 1 69.32 80.79 43.4 0.00 0.00
425
+ ATOM 425 C PTH 1 69.32 80.79 49.4 0.00 0.00
426
+ ATOM 426 C PTH 1 69.32 80.79 50.4 0.00 0.00
427
+ ATOM 427 C PTH 1 69.32 80.79 51.4 0.00 0.00
428
+ ATOM 428 C PTH 1 69.32 80.79 52.4 0.00 0.00
429
+ ATOM 429 C PTH 1 69.32 80.79 53.4 0.00 0.00
430
+ ATOM 430 C PTH 1 69.32 81.79 43.4 0.00 0.00
431
+ ATOM 431 C PTH 1 69.32 81.79 50.4 0.00 0.00
432
+ ATOM 432 C PTH 1 69.32 81.79 51.4 0.00 0.00
433
+ ATOM 433 C PTH 1 69.32 81.79 52.4 0.00 0.00
434
+ ATOM 434 C PTH 1 69.32 82.79 43.4 0.00 0.00
435
+ ATOM 435 C PTH 1 69.32 84.79 43.4 0.00 0.00
436
+ ATOM 436 C PTH 1 69.32 84.79 44.4 0.00 0.00
437
+ ATOM 437 C PTH 1 69.32 84.79 45.4 0.00 0.00
438
+ ATOM 438 C PTH 1 69.32 85.79 42.4 0.00 0.00
439
+ ATOM 439 C PTH 1 69.32 85.79 43.4 0.00 0.00
440
+ ATOM 440 C PTH 1 69.32 85.79 44.4 0.00 0.00
441
+ ATOM 441 C PTH 1 69.32 85.79 45.4 0.00 0.00
442
+ ATOM 442 C PTH 1 69.32 86.79 42.4 0.00 0.00
443
+ ATOM 443 C PTH 1 69.32 86.79 43.4 0.00 0.00
444
+ ATOM 444 C PTH 1 69.32 86.79 44.4 0.00 0.00
445
+ ATOM 445 C PTH 1 69.32 86.79 45.4 0.00 0.00
446
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447
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448
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449
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450
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451
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452
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453
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454
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455
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456
+ ATOM 456 C PTH 1 69.32 89.79 45.4 0.00 0.00
457
+ ATOM 457 C PTH 1 69.32 89.79 46.4 0.00 0.00
458
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459
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460
+ ATOM 460 C PTH 1 69.32 90.79 44.4 0.00 0.00
461
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462
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463
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464
+ ATOM 464 C PTH 1 69.32 91.79 36.4 0.00 0.00
465
+ ATOM 465 C PTH 1 69.32 91.79 37.4 0.00 0.00
466
+ ATOM 466 C PTH 1 69.32 91.79 38.4 0.00 0.00
467
+ ATOM 467 C PTH 1 69.32 91.79 39.4 0.00 0.00
468
+ ATOM 468 C PTH 1 69.32 91.79 40.4 0.00 0.00
469
+ ATOM 469 C PTH 1 69.32 91.79 41.4 0.00 0.00
470
+ ATOM 470 C PTH 1 69.32 91.79 42.4 0.00 0.00
471
+ ATOM 471 C PTH 1 69.32 91.79 43.4 0.00 0.00
472
+ ATOM 472 C PTH 1 69.32 91.79 44.4 0.00 0.00
473
+ ATOM 473 C PTH 1 69.32 91.79 45.4 0.00 0.00
474
+ ATOM 474 C PTH 1 69.32 91.79 46.4 0.00 0.00
475
+ ATOM 475 C PTH 1 69.32 92.79 35.4 0.00 0.00
476
+ ATOM 476 C PTH 1 69.32 92.79 36.4 0.00 0.00
477
+ ATOM 477 C PTH 1 69.32 92.79 37.4 0.00 0.00
478
+ ATOM 478 C PTH 1 69.32 92.79 38.4 0.00 0.00
479
+ ATOM 479 C PTH 1 69.32 92.79 39.4 0.00 0.00
480
+ ATOM 480 C PTH 1 69.32 92.79 40.4 0.00 0.00
481
+ ATOM 481 C PTH 1 69.32 92.79 41.4 0.00 0.00
482
+ ATOM 482 C PTH 1 69.32 92.79 42.4 0.00 0.00
483
+ ATOM 483 C PTH 1 69.32 92.79 43.4 0.00 0.00
484
+ ATOM 484 C PTH 1 69.32 92.79 44.4 0.00 0.00
485
+ ATOM 485 C PTH 1 69.32 92.79 45.4 0.00 0.00
486
+ ATOM 486 C PTH 1 69.32 92.79 46.4 0.00 0.00
487
+ ATOM 487 C PTH 1 69.32 93.79 35.4 0.00 0.00
488
+ ATOM 488 C PTH 1 69.32 93.79 36.4 0.00 0.00
489
+ ATOM 489 C PTH 1 69.32 93.79 37.4 0.00 0.00
490
+ ATOM 490 C PTH 1 69.32 93.79 38.4 0.00 0.00
491
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492
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493
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494
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495
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496
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497
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498
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499
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500
+ ATOM 500 C PTH 1 69.32 94.79 36.4 0.00 0.00
501
+ ATOM 501 C PTH 1 69.32 94.79 37.4 0.00 0.00
502
+ ATOM 502 C PTH 1 69.32 94.79 38.4 0.00 0.00
503
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504
+ ATOM 504 C PTH 1 69.32 94.79 40.4 0.00 0.00
505
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506
+ ATOM 506 C PTH 1 69.32 94.79 42.4 0.00 0.00
507
+ ATOM 507 C PTH 1 69.32 94.79 43.4 0.00 0.00
508
+ ATOM 508 C PTH 1 69.32 94.79 44.4 0.00 0.00
509
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510
+ ATOM 510 C PTH 1 69.32 94.79 46.4 0.00 0.00
511
+ ATOM 511 C PTH 1 69.32 95.79 37.4 0.00 0.00
512
+ ATOM 512 C PTH 1 69.32 95.79 38.4 0.00 0.00
513
+ ATOM 513 C PTH 1 69.32 95.79 39.4 0.00 0.00
514
+ ATOM 514 C PTH 1 69.32 95.79 40.4 0.00 0.00
515
+ ATOM 515 C PTH 1 69.32 95.79 41.4 0.00 0.00
516
+ ATOM 516 C PTH 1 69.32 95.79 42.4 0.00 0.00
517
+ ATOM 517 C PTH 1 69.32 95.79 43.4 0.00 0.00
518
+ ATOM 518 C PTH 1 70.32 72.79 44.4 0.00 0.00
519
+ ATOM 519 C PTH 1 70.32 72.79 45.4 0.00 0.00
520
+ ATOM 520 C PTH 1 70.32 73.79 43.4 0.00 0.00
521
+ ATOM 521 C PTH 1 70.32 73.79 44.4 0.00 0.00
522
+ ATOM 522 C PTH 1 70.32 73.79 45.4 0.00 0.00
523
+ ATOM 523 C PTH 1 70.32 73.79 46.4 0.00 0.00
524
+ ATOM 524 C PTH 1 70.32 73.79 47.4 0.00 0.00
525
+ ATOM 525 C PTH 1 70.32 74.79 43.4 0.00 0.00
526
+ ATOM 526 C PTH 1 70.32 74.79 44.4 0.00 0.00
527
+ ATOM 527 C PTH 1 70.32 74.79 45.4 0.00 0.00
528
+ ATOM 528 C PTH 1 70.32 74.79 46.4 0.00 0.00
529
+ ATOM 529 C PTH 1 70.32 74.79 47.4 0.00 0.00
530
+ ATOM 530 C PTH 1 70.32 75.79 43.4 0.00 0.00
531
+ ATOM 531 C PTH 1 70.32 75.79 44.4 0.00 0.00
532
+ ATOM 532 C PTH 1 70.32 75.79 45.4 0.00 0.00
533
+ ATOM 533 C PTH 1 70.32 75.79 46.4 0.00 0.00
534
+ ATOM 534 C PTH 1 70.32 75.79 47.4 0.00 0.00
535
+ ATOM 535 C PTH 1 70.32 76.79 41.4 0.00 0.00
536
+ ATOM 536 C PTH 1 70.32 76.79 42.4 0.00 0.00
537
+ ATOM 537 C PTH 1 70.32 76.79 43.4 0.00 0.00
538
+ ATOM 538 C PTH 1 70.32 76.79 44.4 0.00 0.00
539
+ ATOM 539 C PTH 1 70.32 76.79 45.4 0.00 0.00
540
+ ATOM 540 C PTH 1 70.32 76.79 46.4 0.00 0.00
541
+ ATOM 541 C PTH 1 70.32 76.79 52.4 0.00 0.00
542
+ ATOM 542 C PTH 1 70.32 76.79 53.4 0.00 0.00
543
+ ATOM 543 C PTH 1 70.32 77.79 40.4 0.00 0.00
544
+ ATOM 544 C PTH 1 70.32 77.79 41.4 0.00 0.00
545
+ ATOM 545 C PTH 1 70.32 77.79 42.4 0.00 0.00
546
+ ATOM 546 C PTH 1 70.32 77.79 43.4 0.00 0.00
547
+ ATOM 547 C PTH 1 70.32 77.79 50.4 0.00 0.00
548
+ ATOM 548 C PTH 1 70.32 77.79 51.4 0.00 0.00
549
+ ATOM 549 C PTH 1 70.32 77.79 52.4 0.00 0.00
550
+ ATOM 550 C PTH 1 70.32 77.79 53.4 0.00 0.00
551
+ ATOM 551 C PTH 1 70.32 77.79 54.4 0.00 0.00
552
+ ATOM 552 C PTH 1 70.32 78.79 40.4 0.00 0.00
553
+ ATOM 553 C PTH 1 70.32 78.79 41.4 0.00 0.00
554
+ ATOM 554 C PTH 1 70.32 78.79 42.4 0.00 0.00
555
+ ATOM 555 C PTH 1 70.32 78.79 43.4 0.00 0.00
556
+ ATOM 556 C PTH 1 70.32 78.79 48.4 0.00 0.00
557
+ ATOM 557 C PTH 1 70.32 78.79 49.4 0.00 0.00
558
+ ATOM 558 C PTH 1 70.32 78.79 50.4 0.00 0.00
559
+ ATOM 559 C PTH 1 70.32 78.79 51.4 0.00 0.00
560
+ ATOM 560 C PTH 1 70.32 78.79 52.4 0.00 0.00
561
+ ATOM 561 C PTH 1 70.32 78.79 53.4 0.00 0.00
562
+ ATOM 562 C PTH 1 70.32 78.79 54.4 0.00 0.00
563
+ ATOM 563 C PTH 1 70.32 79.79 40.4 0.00 0.00
564
+ ATOM 564 C PTH 1 70.32 79.79 41.4 0.00 0.00
565
+ ATOM 565 C PTH 1 70.32 79.79 42.4 0.00 0.00
566
+ ATOM 566 C PTH 1 70.32 79.79 43.4 0.00 0.00
567
+ ATOM 567 C PTH 1 70.32 79.79 44.4 0.00 0.00
568
+ ATOM 568 C PTH 1 70.32 79.79 48.4 0.00 0.00
569
+ ATOM 569 C PTH 1 70.32 79.79 49.4 0.00 0.00
570
+ ATOM 570 C PTH 1 70.32 79.79 50.4 0.00 0.00
571
+ ATOM 571 C PTH 1 70.32 79.79 51.4 0.00 0.00
572
+ ATOM 572 C PTH 1 70.32 79.79 52.4 0.00 0.00
573
+ ATOM 573 C PTH 1 70.32 79.79 53.4 0.00 0.00
574
+ ATOM 574 C PTH 1 70.32 79.79 54.4 0.00 0.00
575
+ ATOM 575 C PTH 1 70.32 80.79 40.4 0.00 0.00
576
+ ATOM 576 C PTH 1 70.32 80.79 41.4 0.00 0.00
577
+ ATOM 577 C PTH 1 70.32 80.79 42.4 0.00 0.00
578
+ ATOM 578 C PTH 1 70.32 80.79 43.4 0.00 0.00
579
+ ATOM 579 C PTH 1 70.32 80.79 44.4 0.00 0.00
580
+ ATOM 580 C PTH 1 70.32 80.79 45.4 0.00 0.00
581
+ ATOM 581 C PTH 1 70.32 80.79 47.4 0.00 0.00
582
+ ATOM 582 C PTH 1 70.32 80.79 48.4 0.00 0.00
583
+ ATOM 583 C PTH 1 70.32 80.79 49.4 0.00 0.00
584
+ ATOM 584 C PTH 1 70.32 80.79 50.4 0.00 0.00
585
+ ATOM 585 C PTH 1 70.32 80.79 51.4 0.00 0.00
586
+ ATOM 586 C PTH 1 70.32 80.79 52.4 0.00 0.00
587
+ ATOM 587 C PTH 1 70.32 80.79 53.4 0.00 0.00
588
+ ATOM 588 C PTH 1 70.32 81.79 42.4 0.00 0.00
589
+ ATOM 589 C PTH 1 70.32 81.79 43.4 0.00 0.00
590
+ ATOM 590 C PTH 1 70.32 81.79 44.4 0.00 0.00
591
+ ATOM 591 C PTH 1 70.32 81.79 45.4 0.00 0.00
592
+ ATOM 592 C PTH 1 70.32 81.79 48.4 0.00 0.00
593
+ ATOM 593 C PTH 1 70.32 81.79 49.4 0.00 0.00
594
+ ATOM 594 C PTH 1 70.32 81.79 50.4 0.00 0.00
595
+ ATOM 595 C PTH 1 70.32 81.79 51.4 0.00 0.00
596
+ ATOM 596 C PTH 1 70.32 81.79 52.4 0.00 0.00
597
+ ATOM 597 C PTH 1 70.32 82.79 42.4 0.00 0.00
598
+ ATOM 598 C PTH 1 70.32 82.79 43.4 0.00 0.00
599
+ ATOM 599 C PTH 1 70.32 82.79 44.4 0.00 0.00
600
+ ATOM 600 C PTH 1 70.32 82.79 45.4 0.00 0.00
601
+ ATOM 601 C PTH 1 70.32 82.79 50.4 0.00 0.00
602
+ ATOM 602 C PTH 1 70.32 82.79 51.4 0.00 0.00
603
+ ATOM 603 C PTH 1 70.32 83.79 43.4 0.00 0.00
604
+ ATOM 604 C PTH 1 70.32 83.79 44.4 0.00 0.00
605
+ ATOM 605 C PTH 1 70.32 83.79 45.4 0.00 0.00
606
+ ATOM 606 C PTH 1 70.32 84.79 42.4 0.00 0.00
607
+ ATOM 607 C PTH 1 70.32 84.79 43.4 0.00 0.00
608
+ ATOM 608 C PTH 1 70.32 84.79 44.4 0.00 0.00
609
+ ATOM 609 C PTH 1 70.32 84.79 45.4 0.00 0.00
610
+ ATOM 610 C PTH 1 70.32 85.79 42.4 0.00 0.00
611
+ ATOM 611 C PTH 1 70.32 85.79 43.4 0.00 0.00
612
+ ATOM 612 C PTH 1 70.32 85.79 44.4 0.00 0.00
613
+ ATOM 613 C PTH 1 70.32 85.79 45.4 0.00 0.00
614
+ ATOM 614 C PTH 1 70.32 85.79 46.4 0.00 0.00
615
+ ATOM 615 C PTH 1 70.32 86.79 42.4 0.00 0.00
616
+ ATOM 616 C PTH 1 70.32 86.79 43.4 0.00 0.00
617
+ ATOM 617 C PTH 1 70.32 86.79 44.4 0.00 0.00
618
+ ATOM 618 C PTH 1 70.32 86.79 45.4 0.00 0.00
619
+ ATOM 619 C PTH 1 70.32 86.79 46.4 0.00 0.00
620
+ ATOM 620 C PTH 1 70.32 87.79 42.4 0.00 0.00
621
+ ATOM 621 C PTH 1 70.32 87.79 43.4 0.00 0.00
622
+ ATOM 622 C PTH 1 70.32 87.79 44.4 0.00 0.00
623
+ ATOM 623 C PTH 1 70.32 87.79 45.4 0.00 0.00
624
+ ATOM 624 C PTH 1 70.32 87.79 46.4 0.00 0.00
625
+ ATOM 625 C PTH 1 70.32 88.79 43.4 0.00 0.00
626
+ ATOM 626 C PTH 1 70.32 88.79 44.4 0.00 0.00
627
+ ATOM 627 C PTH 1 70.32 88.79 45.4 0.00 0.00
628
+ ATOM 628 C PTH 1 70.32 88.79 46.4 0.00 0.00
629
+ ATOM 629 C PTH 1 70.32 88.79 47.4 0.00 0.00
630
+ ATOM 630 C PTH 1 70.32 89.79 44.4 0.00 0.00
631
+ ATOM 631 C PTH 1 70.32 89.79 45.4 0.00 0.00
632
+ ATOM 632 C PTH 1 70.32 89.79 46.4 0.00 0.00
633
+ ATOM 633 C PTH 1 70.32 89.79 47.4 0.00 0.00
634
+ ATOM 634 C PTH 1 70.32 89.79 48.4 0.00 0.00
635
+ ATOM 635 C PTH 1 70.32 90.79 39.4 0.00 0.00
636
+ ATOM 636 C PTH 1 70.32 90.79 40.4 0.00 0.00
637
+ ATOM 637 C PTH 1 70.32 90.79 43.4 0.00 0.00
638
+ ATOM 638 C PTH 1 70.32 90.79 44.4 0.00 0.00
639
+ ATOM 639 C PTH 1 70.32 90.79 45.4 0.00 0.00
640
+ ATOM 640 C PTH 1 70.32 90.79 46.4 0.00 0.00
641
+ ATOM 641 C PTH 1 70.32 90.79 47.4 0.00 0.00
642
+ ATOM 642 C PTH 1 70.32 90.79 48.4 0.00 0.00
643
+ ATOM 643 C PTH 1 70.32 91.79 38.4 0.00 0.00
644
+ ATOM 644 C PTH 1 70.32 91.79 39.4 0.00 0.00
645
+ ATOM 645 C PTH 1 70.32 91.79 40.4 0.00 0.00
646
+ ATOM 646 C PTH 1 70.32 91.79 41.4 0.00 0.00
647
+ ATOM 647 C PTH 1 70.32 91.79 42.4 0.00 0.00
648
+ ATOM 648 C PTH 1 70.32 91.79 43.4 0.00 0.00
649
+ ATOM 649 C PTH 1 70.32 91.79 44.4 0.00 0.00
650
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651
+ ATOM 651 C PTH 1 70.32 91.79 46.4 0.00 0.00
652
+ ATOM 652 C PTH 1 70.32 91.79 47.4 0.00 0.00
653
+ ATOM 653 C PTH 1 70.32 91.79 48.4 0.00 0.00
654
+ ATOM 654 C PTH 1 70.32 92.79 37.4 0.00 0.00
655
+ ATOM 655 C PTH 1 70.32 92.79 38.4 0.00 0.00
656
+ ATOM 656 C PTH 1 70.32 92.79 39.4 0.00 0.00
657
+ ATOM 657 C PTH 1 70.32 92.79 40.4 0.00 0.00
658
+ ATOM 658 C PTH 1 70.32 92.79 41.4 0.00 0.00
659
+ ATOM 659 C PTH 1 70.32 92.79 42.4 0.00 0.00
660
+ ATOM 660 C PTH 1 70.32 92.79 43.4 0.00 0.00
661
+ ATOM 661 C PTH 1 70.32 92.79 44.4 0.00 0.00
662
+ ATOM 662 C PTH 1 70.32 92.79 45.4 0.00 0.00
663
+ ATOM 663 C PTH 1 70.32 92.79 46.4 0.00 0.00
664
+ ATOM 664 C PTH 1 70.32 92.79 47.4 0.00 0.00
665
+ ATOM 665 C PTH 1 70.32 93.79 37.4 0.00 0.00
666
+ ATOM 666 C PTH 1 70.32 93.79 38.4 0.00 0.00
667
+ ATOM 667 C PTH 1 70.32 93.79 39.4 0.00 0.00
668
+ ATOM 668 C PTH 1 70.32 93.79 40.4 0.00 0.00
669
+ ATOM 669 C PTH 1 70.32 93.79 41.4 0.00 0.00
670
+ ATOM 670 C PTH 1 70.32 93.79 42.4 0.00 0.00
671
+ ATOM 671 C PTH 1 70.32 93.79 43.4 0.00 0.00
672
+ ATOM 672 C PTH 1 70.32 93.79 44.4 0.00 0.00
673
+ ATOM 673 C PTH 1 70.32 93.79 45.4 0.00 0.00
674
+ ATOM 674 C PTH 1 70.32 93.79 46.4 0.00 0.00
675
+ ATOM 675 C PTH 1 70.32 94.79 37.4 0.00 0.00
676
+ ATOM 676 C PTH 1 70.32 94.79 38.4 0.00 0.00
677
+ ATOM 677 C PTH 1 70.32 94.79 39.4 0.00 0.00
678
+ ATOM 678 C PTH 1 70.32 94.79 40.4 0.00 0.00
679
+ ATOM 679 C PTH 1 70.32 94.79 41.4 0.00 0.00
680
+ ATOM 680 C PTH 1 70.32 94.79 42.4 0.00 0.00
681
+ ATOM 681 C PTH 1 70.32 94.79 43.4 0.00 0.00
682
+ ATOM 682 C PTH 1 70.32 94.79 44.4 0.00 0.00
683
+ ATOM 683 C PTH 1 70.32 94.79 45.4 0.00 0.00
684
+ ATOM 684 C PTH 1 70.32 95.79 38.4 0.00 0.00
685
+ ATOM 685 C PTH 1 70.32 95.79 39.4 0.00 0.00
686
+ ATOM 686 C PTH 1 71.32 72.79 44.4 0.00 0.00
687
+ ATOM 687 C PTH 1 71.32 72.79 45.4 0.00 0.00
688
+ ATOM 688 C PTH 1 71.32 73.79 43.4 0.00 0.00
689
+ ATOM 689 C PTH 1 71.32 73.79 44.4 0.00 0.00
690
+ ATOM 690 C PTH 1 71.32 73.79 45.4 0.00 0.00
691
+ ATOM 691 C PTH 1 71.32 73.79 46.4 0.00 0.00
692
+ ATOM 692 C PTH 1 71.32 73.79 47.4 0.00 0.00
693
+ ATOM 693 C PTH 1 71.32 74.79 42.4 0.00 0.00
694
+ ATOM 694 C PTH 1 71.32 74.79 43.4 0.00 0.00
695
+ ATOM 695 C PTH 1 71.32 74.79 44.4 0.00 0.00
696
+ ATOM 696 C PTH 1 71.32 74.79 45.4 0.00 0.00
697
+ ATOM 697 C PTH 1 71.32 74.79 46.4 0.00 0.00
698
+ ATOM 698 C PTH 1 71.32 74.79 47.4 0.00 0.00
699
+ ATOM 699 C PTH 1 71.32 75.79 41.4 0.00 0.00
700
+ ATOM 700 C PTH 1 71.32 75.79 42.4 0.00 0.00
701
+ ATOM 701 C PTH 1 71.32 75.79 43.4 0.00 0.00
702
+ ATOM 702 C PTH 1 71.32 75.79 44.4 0.00 0.00
703
+ ATOM 703 C PTH 1 71.32 75.79 45.4 0.00 0.00
704
+ ATOM 704 C PTH 1 71.32 75.79 46.4 0.00 0.00
705
+ ATOM 705 C PTH 1 71.32 75.79 47.4 0.00 0.00
706
+ ATOM 706 C PTH 1 71.32 76.79 40.4 0.00 0.00
707
+ ATOM 707 C PTH 1 71.32 76.79 41.4 0.00 0.00
708
+ ATOM 708 C PTH 1 71.32 76.79 42.4 0.00 0.00
709
+ ATOM 709 C PTH 1 71.32 76.79 43.4 0.00 0.00
710
+ ATOM 710 C PTH 1 71.32 76.79 44.4 0.00 0.00
711
+ ATOM 711 C PTH 1 71.32 76.79 45.4 0.00 0.00
712
+ ATOM 712 C PTH 1 71.32 77.79 39.4 0.00 0.00
713
+ ATOM 713 C PTH 1 71.32 77.79 40.4 0.00 0.00
714
+ ATOM 714 C PTH 1 71.32 77.79 41.4 0.00 0.00
715
+ ATOM 715 C PTH 1 71.32 77.79 42.4 0.00 0.00
716
+ ATOM 716 C PTH 1 71.32 77.79 43.4 0.00 0.00
717
+ ATOM 717 C PTH 1 71.32 77.79 44.4 0.00 0.00
718
+ ATOM 718 C PTH 1 71.32 77.79 50.4 0.00 0.00
719
+ ATOM 719 C PTH 1 71.32 77.79 51.4 0.00 0.00
720
+ ATOM 720 C PTH 1 71.32 77.79 52.4 0.00 0.00
721
+ ATOM 721 C PTH 1 71.32 77.79 53.4 0.00 0.00
722
+ ATOM 722 C PTH 1 71.32 78.79 39.4 0.00 0.00
723
+ ATOM 723 C PTH 1 71.32 78.79 40.4 0.00 0.00
724
+ ATOM 724 C PTH 1 71.32 78.79 41.4 0.00 0.00
725
+ ATOM 725 C PTH 1 71.32 78.79 42.4 0.00 0.00
726
+ ATOM 726 C PTH 1 71.32 78.79 43.4 0.00 0.00
727
+ ATOM 727 C PTH 1 71.32 78.79 48.4 0.00 0.00
728
+ ATOM 728 C PTH 1 71.32 78.79 49.4 0.00 0.00
729
+ ATOM 729 C PTH 1 71.32 78.79 50.4 0.00 0.00
730
+ ATOM 730 C PTH 1 71.32 78.79 51.4 0.00 0.00
731
+ ATOM 731 C PTH 1 71.32 78.79 52.4 0.00 0.00
732
+ ATOM 732 C PTH 1 71.32 78.79 53.4 0.00 0.00
733
+ ATOM 733 C PTH 1 71.32 79.79 40.4 0.00 0.00
734
+ ATOM 734 C PTH 1 71.32 79.79 41.4 0.00 0.00
735
+ ATOM 735 C PTH 1 71.32 79.79 42.4 0.00 0.00
736
+ ATOM 736 C PTH 1 71.32 79.79 43.4 0.00 0.00
737
+ ATOM 737 C PTH 1 71.32 79.79 44.4 0.00 0.00
738
+ ATOM 738 C PTH 1 71.32 79.79 45.4 0.00 0.00
739
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740
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741
+ ATOM 741 C PTH 1 71.32 79.79 48.4 0.00 0.00
742
+ ATOM 742 C PTH 1 71.32 79.79 49.4 0.00 0.00
743
+ ATOM 743 C PTH 1 71.32 79.79 50.4 0.00 0.00
744
+ ATOM 744 C PTH 1 71.32 79.79 51.4 0.00 0.00
745
+ ATOM 745 C PTH 1 71.32 79.79 52.4 0.00 0.00
746
+ ATOM 746 C PTH 1 71.32 79.79 53.4 0.00 0.00
747
+ ATOM 747 C PTH 1 71.32 80.79 40.4 0.00 0.00
748
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749
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750
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751
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752
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753
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754
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755
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756
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757
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758
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759
+ ATOM 759 C PTH 1 71.32 80.79 52.4 0.00 0.00
760
+ ATOM 760 C PTH 1 71.32 80.79 53.4 0.00 0.00
761
+ ATOM 761 C PTH 1 71.32 81.79 42.4 0.00 0.00
762
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763
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764
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765
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766
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767
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768
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769
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770
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771
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772
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773
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774
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775
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776
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777
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778
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779
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780
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781
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782
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783
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784
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785
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786
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787
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788
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789
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790
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791
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792
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793
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794
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795
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796
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797
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798
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799
+ ATOM 799 C PTH 1 71.32 86.79 44.4 0.00 0.00
800
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801
+ ATOM 801 C PTH 1 71.32 86.79 46.4 0.00 0.00
802
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803
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804
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805
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806
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807
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808
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809
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810
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811
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812
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813
+ ATOM 813 C PTH 1 71.32 89.79 43.4 0.00 0.00
814
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815
+ ATOM 815 C PTH 1 71.32 89.79 45.4 0.00 0.00
816
+ ATOM 816 C PTH 1 71.32 89.79 46.4 0.00 0.00
817
+ ATOM 817 C PTH 1 71.32 89.79 47.4 0.00 0.00
818
+ ATOM 818 C PTH 1 71.32 89.79 48.4 0.00 0.00
819
+ ATOM 819 C PTH 1 71.32 90.79 39.4 0.00 0.00
820
+ ATOM 820 C PTH 1 71.32 90.79 40.4 0.00 0.00
821
+ ATOM 821 C PTH 1 71.32 90.79 43.4 0.00 0.00
822
+ ATOM 822 C PTH 1 71.32 90.79 44.4 0.00 0.00
823
+ ATOM 823 C PTH 1 71.32 90.79 45.4 0.00 0.00
824
+ ATOM 824 C PTH 1 71.32 90.79 46.4 0.00 0.00
825
+ ATOM 825 C PTH 1 71.32 90.79 47.4 0.00 0.00
826
+ ATOM 826 C PTH 1 71.32 90.79 48.4 0.00 0.00
827
+ ATOM 827 C PTH 1 71.32 91.79 39.4 0.00 0.00
828
+ ATOM 828 C PTH 1 71.32 91.79 40.4 0.00 0.00
829
+ ATOM 829 C PTH 1 71.32 91.79 41.4 0.00 0.00
830
+ ATOM 830 C PTH 1 71.32 91.79 42.4 0.00 0.00
831
+ ATOM 831 C PTH 1 71.32 91.79 43.4 0.00 0.00
832
+ ATOM 832 C PTH 1 71.32 91.79 44.4 0.00 0.00
833
+ ATOM 833 C PTH 1 71.32 91.79 45.4 0.00 0.00
834
+ ATOM 834 C PTH 1 71.32 91.79 46.4 0.00 0.00
835
+ ATOM 835 C PTH 1 71.32 91.79 47.4 0.00 0.00
836
+ ATOM 836 C PTH 1 71.32 91.79 48.4 0.00 0.00
837
+ ATOM 837 C PTH 1 71.32 92.79 39.4 0.00 0.00
838
+ ATOM 838 C PTH 1 71.32 92.79 40.4 0.00 0.00
839
+ ATOM 839 C PTH 1 71.32 92.79 41.4 0.00 0.00
840
+ ATOM 840 C PTH 1 71.32 92.79 42.4 0.00 0.00
841
+ ATOM 841 C PTH 1 71.32 92.79 43.4 0.00 0.00
842
+ ATOM 842 C PTH 1 71.32 92.79 44.4 0.00 0.00
843
+ ATOM 843 C PTH 1 71.32 92.79 45.4 0.00 0.00
844
+ ATOM 844 C PTH 1 71.32 92.79 46.4 0.00 0.00
845
+ ATOM 845 C PTH 1 71.32 92.79 47.4 0.00 0.00
846
+ ATOM 846 C PTH 1 71.32 93.79 39.4 0.00 0.00
847
+ ATOM 847 C PTH 1 71.32 93.79 40.4 0.00 0.00
848
+ ATOM 848 C PTH 1 71.32 93.79 41.4 0.00 0.00
849
+ ATOM 849 C PTH 1 71.32 93.79 42.4 0.00 0.00
850
+ ATOM 850 C PTH 1 71.32 93.79 43.4 0.00 0.00
851
+ ATOM 851 C PTH 1 71.32 93.79 44.4 0.00 0.00
852
+ ATOM 852 C PTH 1 71.32 93.79 45.4 0.00 0.00
853
+ ATOM 853 C PTH 1 71.32 94.79 39.4 0.00 0.00
854
+ ATOM 854 C PTH 1 71.32 94.79 40.4 0.00 0.00
855
+ ATOM 855 C PTH 1 71.32 94.79 42.4 0.00 0.00
856
+ ATOM 856 C PTH 1 71.32 94.79 43.4 0.00 0.00
857
+ ATOM 857 C PTH 1 71.32 94.79 44.4 0.00 0.00
858
+ ATOM 858 C PTH 1 71.32 94.79 45.4 0.00 0.00
859
+ ATOM 859 C PTH 1 72.32 73.79 44.4 0.00 0.00
860
+ ATOM 860 C PTH 1 72.32 73.79 45.4 0.00 0.00
861
+ ATOM 861 C PTH 1 72.32 73.79 46.4 0.00 0.00
862
+ ATOM 862 C PTH 1 72.32 74.79 42.4 0.00 0.00
863
+ ATOM 863 C PTH 1 72.32 74.79 43.4 0.00 0.00
864
+ ATOM 864 C PTH 1 72.32 74.79 44.4 0.00 0.00
865
+ ATOM 865 C PTH 1 72.32 74.79 45.4 0.00 0.00
866
+ ATOM 866 C PTH 1 72.32 74.79 46.4 0.00 0.00
867
+ ATOM 867 C PTH 1 72.32 75.79 40.4 0.00 0.00
868
+ ATOM 868 C PTH 1 72.32 75.79 41.4 0.00 0.00
869
+ ATOM 869 C PTH 1 72.32 75.79 42.4 0.00 0.00
870
+ ATOM 870 C PTH 1 72.32 75.79 43.4 0.00 0.00
871
+ ATOM 871 C PTH 1 72.32 75.79 44.4 0.00 0.00
872
+ ATOM 872 C PTH 1 72.32 75.79 45.4 0.00 0.00
873
+ ATOM 873 C PTH 1 72.32 76.79 39.4 0.00 0.00
874
+ ATOM 874 C PTH 1 72.32 76.79 40.4 0.00 0.00
875
+ ATOM 875 C PTH 1 72.32 76.79 41.4 0.00 0.00
876
+ ATOM 876 C PTH 1 72.32 76.79 42.4 0.00 0.00
877
+ ATOM 877 C PTH 1 72.32 76.79 43.4 0.00 0.00
878
+ ATOM 878 C PTH 1 72.32 76.79 44.4 0.00 0.00
879
+ ATOM 879 C PTH 1 72.32 76.79 45.4 0.00 0.00
880
+ ATOM 880 C PTH 1 72.32 77.79 39.4 0.00 0.00
881
+ ATOM 881 C PTH 1 72.32 77.79 40.4 0.00 0.00
882
+ ATOM 882 C PTH 1 72.32 77.79 41.4 0.00 0.00
883
+ ATOM 883 C PTH 1 72.32 77.79 42.4 0.00 0.00
884
+ ATOM 884 C PTH 1 72.32 77.79 43.4 0.00 0.00
885
+ ATOM 885 C PTH 1 72.32 77.79 44.4 0.00 0.00
886
+ ATOM 886 C PTH 1 72.32 78.79 39.4 0.00 0.00
887
+ ATOM 887 C PTH 1 72.32 78.79 40.4 0.00 0.00
888
+ ATOM 888 C PTH 1 72.32 78.79 41.4 0.00 0.00
889
+ ATOM 889 C PTH 1 72.32 78.79 42.4 0.00 0.00
890
+ ATOM 890 C PTH 1 72.32 78.79 43.4 0.00 0.00
891
+ ATOM 891 C PTH 1 72.32 78.79 44.4 0.00 0.00
892
+ ATOM 892 C PTH 1 72.32 78.79 47.4 0.00 0.00
893
+ ATOM 893 C PTH 1 72.32 78.79 48.4 0.00 0.00
894
+ ATOM 894 C PTH 1 72.32 78.79 49.4 0.00 0.00
895
+ ATOM 895 C PTH 1 72.32 78.79 50.4 0.00 0.00
896
+ ATOM 896 C PTH 1 72.32 78.79 51.4 0.00 0.00
897
+ ATOM 897 C PTH 1 72.32 78.79 52.4 0.00 0.00
898
+ ATOM 898 C PTH 1 72.32 79.79 40.4 0.00 0.00
899
+ ATOM 899 C PTH 1 72.32 79.79 41.4 0.00 0.00
900
+ ATOM 900 C PTH 1 72.32 79.79 42.4 0.00 0.00
901
+ ATOM 901 C PTH 1 72.32 79.79 43.4 0.00 0.00
902
+ ATOM 902 C PTH 1 72.32 79.79 44.4 0.00 0.00
903
+ ATOM 903 C PTH 1 72.32 79.79 45.4 0.00 0.00
904
+ ATOM 904 C PTH 1 72.32 79.79 46.4 0.00 0.00
905
+ ATOM 905 C PTH 1 72.32 79.79 47.4 0.00 0.00
906
+ ATOM 906 C PTH 1 72.32 79.79 48.4 0.00 0.00
907
+ ATOM 907 C PTH 1 72.32 79.79 49.4 0.00 0.00
908
+ ATOM 908 C PTH 1 72.32 79.79 50.4 0.00 0.00
909
+ ATOM 909 C PTH 1 72.32 79.79 51.4 0.00 0.00
910
+ ATOM 910 C PTH 1 72.32 79.79 52.4 0.00 0.00
911
+ ATOM 911 C PTH 1 72.32 80.79 40.4 0.00 0.00
912
+ ATOM 912 C PTH 1 72.32 80.79 41.4 0.00 0.00
913
+ ATOM 913 C PTH 1 72.32 80.79 42.4 0.00 0.00
914
+ ATOM 914 C PTH 1 72.32 80.79 43.4 0.00 0.00
915
+ ATOM 915 C PTH 1 72.32 80.79 44.4 0.00 0.00
916
+ ATOM 916 C PTH 1 72.32 80.79 45.4 0.00 0.00
917
+ ATOM 917 C PTH 1 72.32 80.79 46.4 0.00 0.00
918
+ ATOM 918 C PTH 1 72.32 80.79 47.4 0.00 0.00
919
+ ATOM 919 C PTH 1 72.32 80.79 48.4 0.00 0.00
920
+ ATOM 920 C PTH 1 72.32 80.79 49.4 0.00 0.00
921
+ ATOM 921 C PTH 1 72.32 80.79 50.4 0.00 0.00
922
+ ATOM 922 C PTH 1 72.32 80.79 51.4 0.00 0.00
923
+ ATOM 923 C PTH 1 72.32 80.79 52.4 0.00 0.00
924
+ ATOM 924 C PTH 1 72.32 81.79 42.4 0.00 0.00
925
+ ATOM 925 C PTH 1 72.32 81.79 43.4 0.00 0.00
926
+ ATOM 926 C PTH 1 72.32 81.79 44.4 0.00 0.00
927
+ ATOM 927 C PTH 1 72.32 81.79 45.4 0.00 0.00
928
+ ATOM 928 C PTH 1 72.32 81.79 46.4 0.00 0.00
929
+ ATOM 929 C PTH 1 72.32 81.79 47.4 0.00 0.00
930
+ ATOM 930 C PTH 1 72.32 81.79 48.4 0.00 0.00
931
+ ATOM 931 C PTH 1 72.32 81.79 49.4 0.00 0.00
932
+ ATOM 932 C PTH 1 72.32 81.79 50.4 0.00 0.00
933
+ ATOM 933 C PTH 1 72.32 81.79 51.4 0.00 0.00
934
+ ATOM 934 C PTH 1 72.32 81.79 52.4 0.00 0.00
935
+ ATOM 935 C PTH 1 72.32 82.79 42.4 0.00 0.00
936
+ ATOM 936 C PTH 1 72.32 82.79 43.4 0.00 0.00
937
+ ATOM 937 C PTH 1 72.32 82.79 44.4 0.00 0.00
938
+ ATOM 938 C PTH 1 72.32 82.79 45.4 0.00 0.00
939
+ ATOM 939 C PTH 1 72.32 82.79 46.4 0.00 0.00
940
+ ATOM 940 C PTH 1 72.32 82.79 47.4 0.00 0.00
941
+ ATOM 941 C PTH 1 72.32 82.79 48.4 0.00 0.00
942
+ ATOM 942 C PTH 1 72.32 82.79 49.4 0.00 0.00
943
+ ATOM 943 C PTH 1 72.32 82.79 50.4 0.00 0.00
944
+ ATOM 944 C PTH 1 72.32 82.79 51.4 0.00 0.00
945
+ ATOM 945 C PTH 1 72.32 83.79 42.4 0.00 0.00
946
+ ATOM 946 C PTH 1 72.32 83.79 43.4 0.00 0.00
947
+ ATOM 947 C PTH 1 72.32 83.79 44.4 0.00 0.00
948
+ ATOM 948 C PTH 1 72.32 83.79 45.4 0.00 0.00
949
+ ATOM 949 C PTH 1 72.32 83.79 46.4 0.00 0.00
950
+ ATOM 950 C PTH 1 72.32 83.79 47.4 0.00 0.00
951
+ ATOM 951 C PTH 1 72.32 84.79 42.4 0.00 0.00
952
+ ATOM 952 C PTH 1 72.32 84.79 43.4 0.00 0.00
953
+ ATOM 953 C PTH 1 72.32 84.79 44.4 0.00 0.00
954
+ ATOM 954 C PTH 1 72.32 84.79 45.4 0.00 0.00
955
+ ATOM 955 C PTH 1 72.32 84.79 46.4 0.00 0.00
956
+ ATOM 956 C PTH 1 72.32 85.79 42.4 0.00 0.00
957
+ ATOM 957 C PTH 1 72.32 85.79 43.4 0.00 0.00
958
+ ATOM 958 C PTH 1 72.32 85.79 44.4 0.00 0.00
959
+ ATOM 959 C PTH 1 72.32 85.79 45.4 0.00 0.00
960
+ ATOM 960 C PTH 1 72.32 85.79 46.4 0.00 0.00
961
+ ATOM 961 C PTH 1 72.32 86.79 42.4 0.00 0.00
962
+ ATOM 962 C PTH 1 72.32 86.79 43.4 0.00 0.00
963
+ ATOM 963 C PTH 1 72.32 86.79 44.4 0.00 0.00
964
+ ATOM 964 C PTH 1 72.32 86.79 45.4 0.00 0.00
965
+ ATOM 965 C PTH 1 72.32 86.79 46.4 0.00 0.00
966
+ ATOM 966 C PTH 1 72.32 87.79 42.4 0.00 0.00
967
+ ATOM 967 C PTH 1 72.32 87.79 43.4 0.00 0.00
968
+ ATOM 968 C PTH 1 72.32 87.79 44.4 0.00 0.00
969
+ ATOM 969 C PTH 1 72.32 87.79 45.4 0.00 0.00
970
+ ATOM 970 C PTH 1 72.32 87.79 46.4 0.00 0.00
971
+ ATOM 971 C PTH 1 72.32 87.79 47.4 0.00 0.00
972
+ ATOM 972 C PTH 1 72.32 88.79 42.4 0.00 0.00
973
+ ATOM 973 C PTH 1 72.32 88.79 43.4 0.00 0.00
974
+ ATOM 974 C PTH 1 72.32 88.79 44.4 0.00 0.00
975
+ ATOM 975 C PTH 1 72.32 88.79 45.4 0.00 0.00
976
+ ATOM 976 C PTH 1 72.32 88.79 46.4 0.00 0.00
977
+ ATOM 977 C PTH 1 72.32 88.79 47.4 0.00 0.00
978
+ ATOM 978 C PTH 1 72.32 89.79 43.4 0.00 0.00
979
+ ATOM 979 C PTH 1 72.32 89.79 44.4 0.00 0.00
980
+ ATOM 980 C PTH 1 72.32 89.79 45.4 0.00 0.00
981
+ ATOM 981 C PTH 1 72.32 89.79 46.4 0.00 0.00
982
+ ATOM 982 C PTH 1 72.32 89.79 47.4 0.00 0.00
983
+ ATOM 983 C PTH 1 72.32 89.79 48.4 0.00 0.00
984
+ ATOM 984 C PTH 1 72.32 90.79 43.4 0.00 0.00
985
+ ATOM 985 C PTH 1 72.32 90.79 44.4 0.00 0.00
986
+ ATOM 986 C PTH 1 72.32 90.79 45.4 0.00 0.00
987
+ ATOM 987 C PTH 1 72.32 90.79 46.4 0.00 0.00
988
+ ATOM 988 C PTH 1 72.32 90.79 47.4 0.00 0.00
989
+ ATOM 989 C PTH 1 72.32 90.79 48.4 0.00 0.00
990
+ ATOM 990 C PTH 1 72.32 91.79 43.4 0.00 0.00
991
+ ATOM 991 C PTH 1 72.32 91.79 44.4 0.00 0.00
992
+ ATOM 992 C PTH 1 72.32 91.79 45.4 0.00 0.00
993
+ ATOM 993 C PTH 1 72.32 91.79 46.4 0.00 0.00
994
+ ATOM 994 C PTH 1 72.32 91.79 47.4 0.00 0.00
995
+ ATOM 995 C PTH 1 72.32 91.79 48.4 0.00 0.00
996
+ ATOM 996 C PTH 1 72.32 92.79 44.4 0.00 0.00
997
+ ATOM 997 C PTH 1 72.32 92.79 45.4 0.00 0.00
998
+ ATOM 998 C PTH 1 72.32 92.79 46.4 0.00 0.00
999
+ ATOM 999 C PTH 1 72.32 93.79 44.4 0.00 0.00
1000
+ ATOM 1000 C PTH 1 72.32 93.79 45.4 0.00 0.00
1001
+ ATOM 1001 C PTH 1 73.32 74.79 42.4 0.00 0.00
1002
+ ATOM 1002 C PTH 1 73.32 74.79 43.4 0.00 0.00
1003
+ ATOM 1003 C PTH 1 73.32 74.79 44.4 0.00 0.00
1004
+ ATOM 1004 C PTH 1 73.32 74.79 45.4 0.00 0.00
1005
+ ATOM 1005 C PTH 1 73.32 75.79 40.4 0.00 0.00
1006
+ ATOM 1006 C PTH 1 73.32 75.79 41.4 0.00 0.00
1007
+ ATOM 1007 C PTH 1 73.32 75.79 42.4 0.00 0.00
1008
+ ATOM 1008 C PTH 1 73.32 75.79 43.4 0.00 0.00
1009
+ ATOM 1009 C PTH 1 73.32 75.79 44.4 0.00 0.00
1010
+ ATOM 1010 C PTH 1 73.32 76.79 39.4 0.00 0.00
1011
+ ATOM 1011 C PTH 1 73.32 76.79 40.4 0.00 0.00
1012
+ ATOM 1012 C PTH 1 73.32 76.79 41.4 0.00 0.00
1013
+ ATOM 1013 C PTH 1 73.32 76.79 42.4 0.00 0.00
1014
+ ATOM 1014 C PTH 1 73.32 76.79 43.4 0.00 0.00
1015
+ ATOM 1015 C PTH 1 73.32 76.79 44.4 0.00 0.00
1016
+ ATOM 1016 C PTH 1 73.32 77.79 39.4 0.00 0.00
1017
+ ATOM 1017 C PTH 1 73.32 77.79 40.4 0.00 0.00
1018
+ ATOM 1018 C PTH 1 73.32 77.79 41.4 0.00 0.00
1019
+ ATOM 1019 C PTH 1 73.32 77.79 42.4 0.00 0.00
1020
+ ATOM 1020 C PTH 1 73.32 77.79 43.4 0.00 0.00
1021
+ ATOM 1021 C PTH 1 73.32 77.79 44.4 0.00 0.00
1022
+ ATOM 1022 C PTH 1 73.32 78.79 39.4 0.00 0.00
1023
+ ATOM 1023 C PTH 1 73.32 78.79 40.4 0.00 0.00
1024
+ ATOM 1024 C PTH 1 73.32 78.79 41.4 0.00 0.00
1025
+ ATOM 1025 C PTH 1 73.32 78.79 42.4 0.00 0.00
1026
+ ATOM 1026 C PTH 1 73.32 78.79 43.4 0.00 0.00
1027
+ ATOM 1027 C PTH 1 73.32 78.79 44.4 0.00 0.00
1028
+ ATOM 1028 C PTH 1 73.32 78.79 45.4 0.00 0.00
1029
+ ATOM 1029 C PTH 1 73.32 78.79 46.4 0.00 0.00
1030
+ ATOM 1030 C PTH 1 73.32 78.79 47.4 0.00 0.00
1031
+ ATOM 1031 C PTH 1 73.32 78.79 48.4 0.00 0.00
1032
+ ATOM 1032 C PTH 1 73.32 78.79 49.4 0.00 0.00
1033
+ ATOM 1033 C PTH 1 73.32 79.79 42.4 0.00 0.00
1034
+ ATOM 1034 C PTH 1 73.32 79.79 43.4 0.00 0.00
1035
+ ATOM 1035 C PTH 1 73.32 79.79 44.4 0.00 0.00
1036
+ ATOM 1036 C PTH 1 73.32 79.79 45.4 0.00 0.00
1037
+ ATOM 1037 C PTH 1 73.32 79.79 46.4 0.00 0.00
1038
+ ATOM 1038 C PTH 1 73.32 79.79 47.4 0.00 0.00
1039
+ ATOM 1039 C PTH 1 73.32 79.79 48.4 0.00 0.00
1040
+ ATOM 1040 C PTH 1 73.32 79.79 49.4 0.00 0.00
1041
+ ATOM 1041 C PTH 1 73.32 79.79 50.4 0.00 0.00
1042
+ ATOM 1042 C PTH 1 73.32 80.79 42.4 0.00 0.00
1043
+ ATOM 1043 C PTH 1 73.32 80.79 43.4 0.00 0.00
1044
+ ATOM 1044 C PTH 1 73.32 80.79 44.4 0.00 0.00
1045
+ ATOM 1045 C PTH 1 73.32 80.79 45.4 0.00 0.00
1046
+ ATOM 1046 C PTH 1 73.32 80.79 46.4 0.00 0.00
1047
+ ATOM 1047 C PTH 1 73.32 80.79 47.4 0.00 0.00
1048
+ ATOM 1048 C PTH 1 73.32 80.79 48.4 0.00 0.00
1049
+ ATOM 1049 C PTH 1 73.32 80.79 49.4 0.00 0.00
1050
+ ATOM 1050 C PTH 1 73.32 80.79 50.4 0.00 0.00
1051
+ ATOM 1051 C PTH 1 73.32 81.79 42.4 0.00 0.00
1052
+ ATOM 1052 C PTH 1 73.32 81.79 43.4 0.00 0.00
1053
+ ATOM 1053 C PTH 1 73.32 81.79 44.4 0.00 0.00
1054
+ ATOM 1054 C PTH 1 73.32 81.79 45.4 0.00 0.00
1055
+ ATOM 1055 C PTH 1 73.32 81.79 46.4 0.00 0.00
1056
+ ATOM 1056 C PTH 1 73.32 81.79 47.4 0.00 0.00
1057
+ ATOM 1057 C PTH 1 73.32 81.79 48.4 0.00 0.00
1058
+ ATOM 1058 C PTH 1 73.32 81.79 49.4 0.00 0.00
1059
+ ATOM 1059 C PTH 1 73.32 81.79 50.4 0.00 0.00
1060
+ ATOM 1060 C PTH 1 73.32 82.79 42.4 0.00 0.00
1061
+ ATOM 1061 C PTH 1 73.32 82.79 43.4 0.00 0.00
1062
+ ATOM 1062 C PTH 1 73.32 82.79 44.4 0.00 0.00
1063
+ ATOM 1063 C PTH 1 73.32 82.79 45.4 0.00 0.00
1064
+ ATOM 1064 C PTH 1 73.32 82.79 46.4 0.00 0.00
1065
+ ATOM 1065 C PTH 1 73.32 82.79 47.4 0.00 0.00
1066
+ ATOM 1066 C PTH 1 73.32 82.79 48.4 0.00 0.00
1067
+ ATOM 1067 C PTH 1 73.32 82.79 49.4 0.00 0.00
1068
+ ATOM 1068 C PTH 1 73.32 83.79 42.4 0.00 0.00
1069
+ ATOM 1069 C PTH 1 73.32 83.79 43.4 0.00 0.00
1070
+ ATOM 1070 C PTH 1 73.32 83.79 44.4 0.00 0.00
1071
+ ATOM 1071 C PTH 1 73.32 83.79 45.4 0.00 0.00
1072
+ ATOM 1072 C PTH 1 73.32 83.79 46.4 0.00 0.00
1073
+ ATOM 1073 C PTH 1 73.32 84.79 42.4 0.00 0.00
1074
+ ATOM 1074 C PTH 1 73.32 84.79 43.4 0.00 0.00
1075
+ ATOM 1075 C PTH 1 73.32 84.79 44.4 0.00 0.00
1076
+ ATOM 1076 C PTH 1 73.32 84.79 45.4 0.00 0.00
1077
+ ATOM 1077 C PTH 1 73.32 84.79 46.4 0.00 0.00
1078
+ ATOM 1078 C PTH 1 73.32 85.79 42.4 0.00 0.00
1079
+ ATOM 1079 C PTH 1 73.32 85.79 43.4 0.00 0.00
1080
+ ATOM 1080 C PTH 1 73.32 85.79 44.4 0.00 0.00
1081
+ ATOM 1081 C PTH 1 73.32 85.79 45.4 0.00 0.00
1082
+ ATOM 1082 C PTH 1 73.32 85.79 46.4 0.00 0.00
1083
+ ATOM 1083 C PTH 1 73.32 86.79 42.4 0.00 0.00
1084
+ ATOM 1084 C PTH 1 73.32 86.79 43.4 0.00 0.00
1085
+ ATOM 1085 C PTH 1 73.32 86.79 44.4 0.00 0.00
1086
+ ATOM 1086 C PTH 1 73.32 86.79 45.4 0.00 0.00
1087
+ ATOM 1087 C PTH 1 73.32 86.79 46.4 0.00 0.00
1088
+ ATOM 1088 C PTH 1 73.32 87.79 42.4 0.00 0.00
1089
+ ATOM 1089 C PTH 1 73.32 87.79 43.4 0.00 0.00
1090
+ ATOM 1090 C PTH 1 73.32 87.79 44.4 0.00 0.00
1091
+ ATOM 1091 C PTH 1 73.32 87.79 45.4 0.00 0.00
1092
+ ATOM 1092 C PTH 1 73.32 87.79 46.4 0.00 0.00
1093
+ ATOM 1093 C PTH 1 73.32 87.79 47.4 0.00 0.00
1094
+ ATOM 1094 C PTH 1 73.32 88.79 42.4 0.00 0.00
1095
+ ATOM 1095 C PTH 1 73.32 88.79 43.4 0.00 0.00
1096
+ ATOM 1096 C PTH 1 73.32 88.79 44.4 0.00 0.00
1097
+ ATOM 1097 C PTH 1 73.32 88.79 45.4 0.00 0.00
1098
+ ATOM 1098 C PTH 1 73.32 88.79 46.4 0.00 0.00
1099
+ ATOM 1099 C PTH 1 73.32 88.79 47.4 0.00 0.00
1100
+ ATOM 1100 C PTH 1 73.32 88.79 48.4 0.00 0.00
1101
+ ATOM 1101 C PTH 1 73.32 89.79 44.4 0.00 0.00
1102
+ ATOM 1102 C PTH 1 73.32 89.79 45.4 0.00 0.00
1103
+ ATOM 1103 C PTH 1 73.32 89.79 46.4 0.00 0.00
1104
+ ATOM 1104 C PTH 1 73.32 89.79 47.4 0.00 0.00
1105
+ ATOM 1105 C PTH 1 73.32 89.79 48.4 0.00 0.00
1106
+ ATOM 1106 C PTH 1 73.32 90.79 44.4 0.00 0.00
1107
+ ATOM 1107 C PTH 1 73.32 90.79 45.4 0.00 0.00
1108
+ ATOM 1108 C PTH 1 73.32 90.79 46.4 0.00 0.00
1109
+ ATOM 1109 C PTH 1 73.32 90.79 47.4 0.00 0.00
1110
+ ATOM 1110 C PTH 1 73.32 90.79 48.4 0.00 0.00
1111
+ ATOM 1111 C PTH 1 73.32 91.79 44.4 0.00 0.00
1112
+ ATOM 1112 C PTH 1 73.32 91.79 45.4 0.00 0.00
1113
+ ATOM 1113 C PTH 1 73.32 91.79 46.4 0.00 0.00
1114
+ ATOM 1114 C PTH 1 73.32 91.79 47.4 0.00 0.00
1115
+ ATOM 1115 C PTH 1 73.32 92.79 45.4 0.00 0.00
1116
+ ATOM 1116 C PTH 1 74.32 74.79 43.4 0.00 0.00
1117
+ ATOM 1117 C PTH 1 74.32 74.79 44.4 0.00 0.00
1118
+ ATOM 1118 C PTH 1 74.32 75.79 41.4 0.00 0.00
1119
+ ATOM 1119 C PTH 1 74.32 75.79 42.4 0.00 0.00
1120
+ ATOM 1120 C PTH 1 74.32 75.79 43.4 0.00 0.00
1121
+ ATOM 1121 C PTH 1 74.32 75.79 44.4 0.00 0.00
1122
+ ATOM 1122 C PTH 1 74.32 76.79 40.4 0.00 0.00
1123
+ ATOM 1123 C PTH 1 74.32 76.79 41.4 0.00 0.00
1124
+ ATOM 1124 C PTH 1 74.32 76.79 42.4 0.00 0.00
1125
+ ATOM 1125 C PTH 1 74.32 76.79 43.4 0.00 0.00
1126
+ ATOM 1126 C PTH 1 74.32 76.79 44.4 0.00 0.00
1127
+ ATOM 1127 C PTH 1 74.32 77.79 39.4 0.00 0.00
1128
+ ATOM 1128 C PTH 1 74.32 77.79 40.4 0.00 0.00
1129
+ ATOM 1129 C PTH 1 74.32 77.79 41.4 0.00 0.00
1130
+ ATOM 1130 C PTH 1 74.32 77.79 42.4 0.00 0.00
1131
+ ATOM 1131 C PTH 1 74.32 77.79 43.4 0.00 0.00
1132
+ ATOM 1132 C PTH 1 74.32 77.79 44.4 0.00 0.00
1133
+ ATOM 1133 C PTH 1 74.32 78.79 41.4 0.00 0.00
1134
+ ATOM 1134 C PTH 1 74.32 78.79 42.4 0.00 0.00
1135
+ ATOM 1135 C PTH 1 74.32 78.79 43.4 0.00 0.00
1136
+ ATOM 1136 C PTH 1 74.32 78.79 44.4 0.00 0.00
1137
+ ATOM 1137 C PTH 1 74.32 78.79 45.4 0.00 0.00
1138
+ ATOM 1138 C PTH 1 74.32 78.79 46.4 0.00 0.00
1139
+ ATOM 1139 C PTH 1 74.32 79.79 43.4 0.00 0.00
1140
+ ATOM 1140 C PTH 1 74.32 79.79 44.4 0.00 0.00
1141
+ ATOM 1141 C PTH 1 74.32 79.79 45.4 0.00 0.00
1142
+ ATOM 1142 C PTH 1 74.32 79.79 46.4 0.00 0.00
1143
+ ATOM 1143 C PTH 1 74.32 79.79 47.4 0.00 0.00
1144
+ ATOM 1144 C PTH 1 74.32 80.79 43.4 0.00 0.00
1145
+ ATOM 1145 C PTH 1 74.32 80.79 44.4 0.00 0.00
1146
+ ATOM 1146 C PTH 1 74.32 80.79 45.4 0.00 0.00
1147
+ ATOM 1147 C PTH 1 74.32 80.79 46.4 0.00 0.00
1148
+ ATOM 1148 C PTH 1 74.32 80.79 47.4 0.00 0.00
1149
+ ATOM 1149 C PTH 1 74.32 81.79 43.4 0.00 0.00
1150
+ ATOM 1150 C PTH 1 74.32 81.79 44.4 0.00 0.00
1151
+ ATOM 1151 C PTH 1 74.32 81.79 45.4 0.00 0.00
1152
+ ATOM 1152 C PTH 1 74.32 81.79 46.4 0.00 0.00
1153
+ ATOM 1153 C PTH 1 74.32 82.79 42.4 0.00 0.00
1154
+ ATOM 1154 C PTH 1 74.32 82.79 43.4 0.00 0.00
1155
+ ATOM 1155 C PTH 1 74.32 82.79 44.4 0.00 0.00
1156
+ ATOM 1156 C PTH 1 74.32 82.79 45.4 0.00 0.00
1157
+ ATOM 1157 C PTH 1 74.32 82.79 46.4 0.00 0.00
1158
+ ATOM 1158 C PTH 1 74.32 83.79 42.4 0.00 0.00
1159
+ ATOM 1159 C PTH 1 74.32 83.79 43.4 0.00 0.00
1160
+ ATOM 1160 C PTH 1 74.32 83.79 44.4 0.00 0.00
1161
+ ATOM 1161 C PTH 1 74.32 83.79 45.4 0.00 0.00
1162
+ ATOM 1162 C PTH 1 74.32 83.79 46.4 0.00 0.00
1163
+ ATOM 1163 C PTH 1 74.32 84.79 42.4 0.00 0.00
1164
+ ATOM 1164 C PTH 1 74.32 84.79 43.4 0.00 0.00
1165
+ ATOM 1165 C PTH 1 74.32 84.79 44.4 0.00 0.00
1166
+ ATOM 1166 C PTH 1 74.32 84.79 45.4 0.00 0.00
1167
+ ATOM 1167 C PTH 1 74.32 84.79 46.4 0.00 0.00
1168
+ ATOM 1168 C PTH 1 74.32 85.79 42.4 0.00 0.00
1169
+ ATOM 1169 C PTH 1 74.32 85.79 43.4 0.00 0.00
1170
+ ATOM 1170 C PTH 1 74.32 85.79 44.4 0.00 0.00
1171
+ ATOM 1171 C PTH 1 74.32 85.79 45.4 0.00 0.00
1172
+ ATOM 1172 C PTH 1 74.32 85.79 46.4 0.00 0.00
1173
+ ATOM 1173 C PTH 1 74.32 85.79 47.4 0.00 0.00
1174
+ ATOM 1174 C PTH 1 74.32 86.79 42.4 0.00 0.00
1175
+ ATOM 1175 C PTH 1 74.32 86.79 43.4 0.00 0.00
1176
+ ATOM 1176 C PTH 1 74.32 86.79 44.4 0.00 0.00
1177
+ ATOM 1177 C PTH 1 74.32 86.79 45.4 0.00 0.00
1178
+ ATOM 1178 C PTH 1 74.32 86.79 46.4 0.00 0.00
1179
+ ATOM 1179 C PTH 1 74.32 86.79 47.4 0.00 0.00
1180
+ ATOM 1180 C PTH 1 74.32 87.79 42.4 0.00 0.00
1181
+ ATOM 1181 C PTH 1 74.32 87.79 43.4 0.00 0.00
1182
+ ATOM 1182 C PTH 1 74.32 87.79 44.4 0.00 0.00
1183
+ ATOM 1183 C PTH 1 74.32 87.79 45.4 0.00 0.00
1184
+ ATOM 1184 C PTH 1 74.32 87.79 46.4 0.00 0.00
1185
+ ATOM 1185 C PTH 1 74.32 87.79 47.4 0.00 0.00
1186
+ ATOM 1186 C PTH 1 74.32 88.79 43.4 0.00 0.00
1187
+ ATOM 1187 C PTH 1 74.32 88.79 44.4 0.00 0.00
1188
+ ATOM 1188 C PTH 1 74.32 88.79 45.4 0.00 0.00
1189
+ ATOM 1189 C PTH 1 74.32 88.79 46.4 0.00 0.00
1190
+ ATOM 1190 C PTH 1 74.32 88.79 47.4 0.00 0.00
1191
+ ATOM 1191 C PTH 1 74.32 89.79 45.4 0.00 0.00
1192
+ ATOM 1192 C PTH 1 74.32 89.79 46.4 0.00 0.00
1193
+ ATOM 1193 C PTH 1 74.32 89.79 47.4 0.00 0.00
1194
+ ATOM 1194 C PTH 1 74.32 89.79 48.4 0.00 0.00
1195
+ ATOM 1195 C PTH 1 74.32 90.79 45.4 0.00 0.00
1196
+ ATOM 1196 C PTH 1 74.32 90.79 46.4 0.00 0.00
1197
+ ATOM 1197 C PTH 1 74.32 90.79 47.4 0.00 0.00
1198
+ ATOM 1198 C PTH 1 74.32 91.79 45.4 0.00 0.00
1199
+ ATOM 1199 C PTH 1 74.32 91.79 46.4 0.00 0.00
1200
+ ATOM 1200 C PTH 1 75.32 75.79 42.4 0.00 0.00
1201
+ ATOM 1201 C PTH 1 75.32 75.79 43.4 0.00 0.00
1202
+ ATOM 1202 C PTH 1 75.32 75.79 44.4 0.00 0.00
1203
+ ATOM 1203 C PTH 1 75.32 76.79 41.4 0.00 0.00
1204
+ ATOM 1204 C PTH 1 75.32 76.79 42.4 0.00 0.00
1205
+ ATOM 1205 C PTH 1 75.32 76.79 43.4 0.00 0.00
1206
+ ATOM 1206 C PTH 1 75.32 76.79 44.4 0.00 0.00
1207
+ ATOM 1207 C PTH 1 75.32 77.79 41.4 0.00 0.00
1208
+ ATOM 1208 C PTH 1 75.32 77.79 42.4 0.00 0.00
1209
+ ATOM 1209 C PTH 1 75.32 77.79 43.4 0.00 0.00
1210
+ ATOM 1210 C PTH 1 75.32 77.79 44.4 0.00 0.00
1211
+ ATOM 1211 C PTH 1 75.32 78.79 42.4 0.00 0.00
1212
+ ATOM 1212 C PTH 1 75.32 78.79 43.4 0.00 0.00
1213
+ ATOM 1213 C PTH 1 75.32 78.79 44.4 0.00 0.00
1214
+ ATOM 1214 C PTH 1 75.32 78.79 45.4 0.00 0.00
1215
+ ATOM 1215 C PTH 1 75.32 79.79 43.4 0.00 0.00
1216
+ ATOM 1216 C PTH 1 75.32 79.79 44.4 0.00 0.00
1217
+ ATOM 1217 C PTH 1 75.32 79.79 45.4 0.00 0.00
1218
+ ATOM 1218 C PTH 1 75.32 80.79 43.4 0.00 0.00
1219
+ ATOM 1219 C PTH 1 75.32 80.79 44.4 0.00 0.00
1220
+ ATOM 1220 C PTH 1 75.32 80.79 45.4 0.00 0.00
1221
+ ATOM 1221 C PTH 1 75.32 80.79 46.4 0.00 0.00
1222
+ ATOM 1222 C PTH 1 75.32 81.79 43.4 0.00 0.00
1223
+ ATOM 1223 C PTH 1 75.32 81.79 44.4 0.00 0.00
1224
+ ATOM 1224 C PTH 1 75.32 81.79 45.4 0.00 0.00
1225
+ ATOM 1225 C PTH 1 75.32 81.79 46.4 0.00 0.00
1226
+ ATOM 1226 C PTH 1 75.32 82.79 43.4 0.00 0.00
1227
+ ATOM 1227 C PTH 1 75.32 82.79 44.4 0.00 0.00
1228
+ ATOM 1228 C PTH 1 75.32 82.79 45.4 0.00 0.00
1229
+ ATOM 1229 C PTH 1 75.32 82.79 46.4 0.00 0.00
1230
+ ATOM 1230 C PTH 1 75.32 83.79 43.4 0.00 0.00
1231
+ ATOM 1231 C PTH 1 75.32 83.79 44.4 0.00 0.00
1232
+ ATOM 1232 C PTH 1 75.32 83.79 45.4 0.00 0.00
1233
+ ATOM 1233 C PTH 1 75.32 84.79 42.4 0.00 0.00
1234
+ ATOM 1234 C PTH 1 75.32 84.79 43.4 0.00 0.00
1235
+ ATOM 1235 C PTH 1 75.32 84.79 44.4 0.00 0.00
1236
+ ATOM 1236 C PTH 1 75.32 84.79 45.4 0.00 0.00
1237
+ ATOM 1237 C PTH 1 75.32 85.79 42.4 0.00 0.00
1238
+ ATOM 1238 C PTH 1 75.32 85.79 43.4 0.00 0.00
1239
+ ATOM 1239 C PTH 1 75.32 85.79 44.4 0.00 0.00
1240
+ ATOM 1240 C PTH 1 75.32 85.79 45.4 0.00 0.00
1241
+ ATOM 1241 C PTH 1 75.32 85.79 46.4 0.00 0.00
1242
+ ATOM 1242 C PTH 1 75.32 85.79 47.4 0.00 0.00
1243
+ ATOM 1243 C PTH 1 75.32 86.79 42.4 0.00 0.00
1244
+ ATOM 1244 C PTH 1 75.32 86.79 43.4 0.00 0.00
1245
+ ATOM 1245 C PTH 1 75.32 86.79 44.4 0.00 0.00
1246
+ ATOM 1246 C PTH 1 75.32 86.79 45.4 0.00 0.00
1247
+ ATOM 1247 C PTH 1 75.32 86.79 46.4 0.00 0.00
1248
+ ATOM 1248 C PTH 1 75.32 86.79 47.4 0.00 0.00
1249
+ ATOM 1249 C PTH 1 75.32 87.79 44.4 0.00 0.00
1250
+ ATOM 1250 C PTH 1 75.32 87.79 45.4 0.00 0.00
1251
+ ATOM 1251 C PTH 1 75.32 87.79 46.4 0.00 0.00
1252
+ ATOM 1252 C PTH 1 75.32 87.79 47.4 0.00 0.00
1253
+ ATOM 1253 C PTH 1 75.32 88.79 46.4 0.00 0.00
1254
+ ATOM 1254 C PTH 1 75.32 88.79 47.4 0.00 0.00
1255
+ ATOM 1255 C PTH 1 75.32 89.79 46.4 0.00 0.00
1256
+ ATOM 1256 C PTH 1 76.32 75.79 42.4 0.00 0.00
1257
+ ATOM 1257 C PTH 1 76.32 75.79 43.4 0.00 0.00
1258
+ ATOM 1258 C PTH 1 76.32 75.79 44.4 0.00 0.00
1259
+ ATOM 1259 C PTH 1 76.32 76.79 42.4 0.00 0.00
1260
+ ATOM 1260 C PTH 1 76.32 76.79 43.4 0.00 0.00
1261
+ ATOM 1261 C PTH 1 76.32 77.79 42.4 0.00 0.00
1262
+ ATOM 1262 C PTH 1 76.32 77.79 43.4 0.00 0.00
1263
+ ATOM 1263 C PTH 1 76.32 78.79 43.4 0.00 0.00
1264
+ ATOM 1264 C PTH 1 76.32 78.79 44.4 0.00 0.00
1265
+ ATOM 1265 C PTH 1 76.32 79.79 43.4 0.00 0.00
1266
+ ATOM 1266 C PTH 1 76.32 79.79 44.4 0.00 0.00
1267
+ ATOM 1267 C PTH 1 76.32 79.79 45.4 0.00 0.00
1268
+ ATOM 1268 C PTH 1 76.32 80.79 43.4 0.00 0.00
1269
+ ATOM 1269 C PTH 1 76.32 80.79 44.4 0.00 0.00
1270
+ ATOM 1270 C PTH 1 76.32 80.79 45.4 0.00 0.00
1271
+ ATOM 1271 C PTH 1 76.32 81.79 43.4 0.00 0.00
1272
+ ATOM 1272 C PTH 1 76.32 81.79 44.4 0.00 0.00
1273
+ ATOM 1273 C PTH 1 76.32 81.79 45.4 0.00 0.00
1274
+ ATOM 1274 C PTH 1 76.32 81.79 46.4 0.00 0.00
1275
+ ATOM 1275 C PTH 1 76.32 82.79 43.4 0.00 0.00
1276
+ ATOM 1276 C PTH 1 76.32 82.79 44.4 0.00 0.00
1277
+ ATOM 1277 C PTH 1 76.32 82.79 45.4 0.00 0.00
1278
+ ATOM 1278 C PTH 1 76.32 83.79 43.4 0.00 0.00
1279
+ ATOM 1279 C PTH 1 76.32 83.79 44.4 0.00 0.00
1280
+ ATOM 1280 C PTH 1 76.32 85.79 46.4 0.00 0.00
1281
+ ATOM 1281 C PTH 1 76.32 85.79 47.4 0.00 0.00
1282
+ ATOM 1282 C PTH 1 76.32 86.79 46.4 0.00 0.00
1283
+ ATOM 1283 C PTH 1 76.32 86.79 47.4 0.00 0.00
1284
+ ATOM 1284 C PTH 1 76.32 87.79 46.4 0.00 0.00
1285
+ ATOM 1285 C PTH 1 76.32 87.79 47.4 0.00 0.00
1286
+ ATOM 1286 C PTH 1 77.32 79.79 43.4 0.00 0.00
1287
+ ATOM 1287 C PTH 1 77.32 79.79 44.4 0.00 0.00
1288
+ ATOM 1288 C PTH 1 77.32 79.79 45.4 0.00 0.00
1289
+ ATOM 1289 C PTH 1 77.32 80.79 43.4 0.00 0.00
1290
+ ATOM 1290 C PTH 1 77.32 80.79 44.4 0.00 0.00
1291
+ ATOM 1291 C PTH 1 77.32 80.79 45.4 0.00 0.00
1292
+ ATOM 1292 C PTH 1 77.32 81.79 43.4 0.00 0.00
1293
+ ATOM 1293 C PTH 1 77.32 81.79 44.4 0.00 0.00
1294
+ ATOM 1294 C PTH 1 77.32 81.79 45.4 0.00 0.00
1295
+ ATOM 1295 C PTH 1 77.32 82.79 43.4 0.00 0.00
1296
+ ATOM 1296 C PTH 1 77.32 82.79 44.4 0.00 0.00
1297
+ ATOM 1297 C PTH 1 77.32 82.79 45.4 0.00 0.00
1298
+ ATOM 1298 C PTH 1 78.32 79.79 43.4 0.00 0.00
1299
+ ATOM 1299 C PTH 1 78.32 79.79 44.4 0.00 0.00
1300
+ ATOM 1300 C PTH 1 78.32 80.79 43.4 0.00 0.00
1301
+ ATOM 1301 C PTH 1 78.32 80.79 44.4 0.00 0.00
1302
+ ATOM 1302 C PTH 1 78.32 80.79 45.4 0.00 0.00
1303
+ ATOM 1303 C PTH 1 78.32 81.79 43.4 0.00 0.00
1304
+ ATOM 1304 C PTH 1 78.32 81.79 44.4 0.00 0.00
1305
+ ATOM 1305 C PTH 1 78.32 81.79 45.4 0.00 0.00
1306
+ ATOM 1306 C PTH 1 78.32 82.79 43.4 0.00 0.00
1307
+ ATOM 1307 C PTH 1 78.32 82.79 44.4 0.00 0.00
data/files/A001T/pocket_02.pdb ADDED
@@ -0,0 +1,480 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 30.32 84.79 21.4 0.00 0.00
2
+ ATOM 2 C PTH 1 30.32 85.79 21.4 0.00 0.00
3
+ ATOM 3 C PTH 1 30.32 85.79 22.4 0.00 0.00
4
+ ATOM 4 C PTH 1 30.32 85.79 23.4 0.00 0.00
5
+ ATOM 5 C PTH 1 31.32 81.79 19.4 0.00 0.00
6
+ ATOM 6 C PTH 1 31.32 81.79 20.4 0.00 0.00
7
+ ATOM 7 C PTH 1 31.32 81.79 21.4 0.00 0.00
8
+ ATOM 8 C PTH 1 31.32 81.79 22.4 0.00 0.00
9
+ ATOM 9 C PTH 1 31.32 82.79 19.4 0.00 0.00
10
+ ATOM 10 C PTH 1 31.32 82.79 20.4 0.00 0.00
11
+ ATOM 11 C PTH 1 31.32 82.79 21.4 0.00 0.00
12
+ ATOM 12 C PTH 1 31.32 82.79 22.4 0.00 0.00
13
+ ATOM 13 C PTH 1 31.32 83.79 19.4 0.00 0.00
14
+ ATOM 14 C PTH 1 31.32 83.79 20.4 0.00 0.00
15
+ ATOM 15 C PTH 1 31.32 83.79 21.4 0.00 0.00
16
+ ATOM 16 C PTH 1 31.32 83.79 22.4 0.00 0.00
17
+ ATOM 17 C PTH 1 31.32 84.79 19.4 0.00 0.00
18
+ ATOM 18 C PTH 1 31.32 84.79 20.4 0.00 0.00
19
+ ATOM 19 C PTH 1 31.32 84.79 21.4 0.00 0.00
20
+ ATOM 20 C PTH 1 31.32 84.79 22.4 0.00 0.00
21
+ ATOM 21 C PTH 1 31.32 85.79 21.4 0.00 0.00
22
+ ATOM 22 C PTH 1 31.32 85.79 22.4 0.00 0.00
23
+ ATOM 23 C PTH 1 31.32 85.79 23.4 0.00 0.00
24
+ ATOM 24 C PTH 1 31.32 86.79 21.4 0.00 0.00
25
+ ATOM 25 C PTH 1 31.32 86.79 22.4 0.00 0.00
26
+ ATOM 26 C PTH 1 31.32 86.79 23.4 0.00 0.00
27
+ ATOM 27 C PTH 1 32.32 80.79 20.4 0.00 0.00
28
+ ATOM 28 C PTH 1 32.32 80.79 21.4 0.00 0.00
29
+ ATOM 29 C PTH 1 32.32 80.79 22.4 0.00 0.00
30
+ ATOM 30 C PTH 1 32.32 81.79 19.4 0.00 0.00
31
+ ATOM 31 C PTH 1 32.32 81.79 20.4 0.00 0.00
32
+ ATOM 32 C PTH 1 32.32 81.79 21.4 0.00 0.00
33
+ ATOM 33 C PTH 1 32.32 81.79 22.4 0.00 0.00
34
+ ATOM 34 C PTH 1 32.32 81.79 23.4 0.00 0.00
35
+ ATOM 35 C PTH 1 32.32 82.79 19.4 0.00 0.00
36
+ ATOM 36 C PTH 1 32.32 82.79 20.4 0.00 0.00
37
+ ATOM 37 C PTH 1 32.32 82.79 21.4 0.00 0.00
38
+ ATOM 38 C PTH 1 32.32 82.79 22.4 0.00 0.00
39
+ ATOM 39 C PTH 1 32.32 82.79 23.4 0.00 0.00
40
+ ATOM 40 C PTH 1 32.32 83.79 19.4 0.00 0.00
41
+ ATOM 41 C PTH 1 32.32 83.79 20.4 0.00 0.00
42
+ ATOM 42 C PTH 1 32.32 83.79 21.4 0.00 0.00
43
+ ATOM 43 C PTH 1 32.32 83.79 22.4 0.00 0.00
44
+ ATOM 44 C PTH 1 32.32 84.79 19.4 0.00 0.00
45
+ ATOM 45 C PTH 1 32.32 84.79 20.4 0.00 0.00
46
+ ATOM 46 C PTH 1 32.32 84.79 21.4 0.00 0.00
47
+ ATOM 47 C PTH 1 32.32 84.79 22.4 0.00 0.00
48
+ ATOM 48 C PTH 1 32.32 84.79 23.4 0.00 0.00
49
+ ATOM 49 C PTH 1 32.32 85.79 19.4 0.00 0.00
50
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51
+ ATOM 51 C PTH 1 32.32 85.79 21.4 0.00 0.00
52
+ ATOM 52 C PTH 1 32.32 85.79 22.4 0.00 0.00
53
+ ATOM 53 C PTH 1 32.32 85.79 23.4 0.00 0.00
54
+ ATOM 54 C PTH 1 32.32 86.79 21.4 0.00 0.00
55
+ ATOM 55 C PTH 1 32.32 86.79 22.4 0.00 0.00
56
+ ATOM 56 C PTH 1 32.32 86.79 23.4 0.00 0.00
57
+ ATOM 57 C PTH 1 32.32 86.79 24.4 0.00 0.00
58
+ ATOM 58 C PTH 1 33.32 80.79 20.4 0.00 0.00
59
+ ATOM 59 C PTH 1 33.32 80.79 21.4 0.00 0.00
60
+ ATOM 60 C PTH 1 33.32 80.79 22.4 0.00 0.00
61
+ ATOM 61 C PTH 1 33.32 81.79 19.4 0.00 0.00
62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
+ ATOM 84 C PTH 1 33.32 85.79 21.4 0.00 0.00
85
+ ATOM 85 C PTH 1 33.32 85.79 22.4 0.00 0.00
86
+ ATOM 86 C PTH 1 33.32 85.79 23.4 0.00 0.00
87
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88
+ ATOM 88 C PTH 1 33.32 86.79 21.4 0.00 0.00
89
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90
+ ATOM 90 C PTH 1 33.32 86.79 23.4 0.00 0.00
91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
+ ATOM 167 C PTH 1 34.32 91.79 14.4 0.00 0.00
168
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169
+ ATOM 169 C PTH 1 35.32 81.79 20.4 0.00 0.00
170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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228
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229
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230
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
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242
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243
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244
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245
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246
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247
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248
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249
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250
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251
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252
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253
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254
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255
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256
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257
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258
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259
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260
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261
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262
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263
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264
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265
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266
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267
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268
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269
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270
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271
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272
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273
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274
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275
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276
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277
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278
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279
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280
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281
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282
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283
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284
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285
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286
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287
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288
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289
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290
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291
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292
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293
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294
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295
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296
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297
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298
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299
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300
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301
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302
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303
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304
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305
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306
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307
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308
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309
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310
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311
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312
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313
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314
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315
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316
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317
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318
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319
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320
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321
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322
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323
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324
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325
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326
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327
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328
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329
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330
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331
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332
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333
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334
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335
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336
+ ATOM 336 C PTH 1 36.32 90.79 12.4 0.00 0.00
337
+ ATOM 337 C PTH 1 36.32 90.79 13.4 0.00 0.00
338
+ ATOM 338 C PTH 1 36.32 90.79 14.4 0.00 0.00
339
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340
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341
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342
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343
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344
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345
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346
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347
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348
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349
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350
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351
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352
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353
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354
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355
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356
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357
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358
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359
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360
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361
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362
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363
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364
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365
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366
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367
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368
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369
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370
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371
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372
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373
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374
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375
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376
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377
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378
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379
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380
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381
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382
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383
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384
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385
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386
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387
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388
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389
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390
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391
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392
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393
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394
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395
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396
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397
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398
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399
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400
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401
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402
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403
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404
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405
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406
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407
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408
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409
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410
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411
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412
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413
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414
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415
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416
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417
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418
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419
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420
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421
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422
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423
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424
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425
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426
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427
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428
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429
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430
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431
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432
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433
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434
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435
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436
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437
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438
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439
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440
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441
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442
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443
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445
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446
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447
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448
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449
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450
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451
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452
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453
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454
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455
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456
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457
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458
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459
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460
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461
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462
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463
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464
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465
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466
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467
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468
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469
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470
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471
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472
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473
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474
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475
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476
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477
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478
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479
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480
+ ATOM 480 C PTH 1 39.32 87.79 20.4 0.00 0.00
data/files/A001T/pocket_03.pdb ADDED
@@ -0,0 +1,350 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 27.32 92.79 22.4 0.00 0.00
2
+ ATOM 2 C PTH 1 27.32 92.79 23.4 0.00 0.00
3
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4
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5
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6
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7
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8
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9
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10
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11
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12
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13
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14
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15
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16
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17
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18
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19
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20
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21
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22
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23
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24
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25
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26
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27
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28
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29
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30
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31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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45
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
+ ATOM 134 C PTH 1 31.32 98.79 15.4 0.00 0.00
135
+ ATOM 135 C PTH 1 31.32 98.79 16.4 0.00 0.00
136
+ ATOM 136 C PTH 1 31.32 98.79 17.4 0.00 0.00
137
+ ATOM 137 C PTH 1 31.32 99.79 13.4 0.00 0.00
138
+ ATOM 138 C PTH 1 31.32 99.79 14.4 0.00 0.00
139
+ ATOM 139 C PTH 1 31.32 99.79 15.4 0.00 0.00
140
+ ATOM 140 C PTH 1 31.32 99.79 16.4 0.00 0.00
141
+ ATOM 141 C PTH 1 31.32 99.79 17.4 0.00 0.00
142
+ ATOM 142 C PTH 1 31.32 100.79 13.4 0.00 0.00
143
+ ATOM 143 C PTH 1 31.32 100.79 14.4 0.00 0.00
144
+ ATOM 144 C PTH 1 31.32 100.79 15.4 0.00 0.00
145
+ ATOM 145 C PTH 1 31.32 100.79 16.4 0.00 0.00
146
+ ATOM 146 C PTH 1 31.32 101.79 14.4 0.00 0.00
147
+ ATOM 147 C PTH 1 31.32 101.79 15.4 0.00 0.00
148
+ ATOM 148 C PTH 1 32.32 87.79 21.4 0.00 0.00
149
+ ATOM 149 C PTH 1 32.32 87.79 22.4 0.00 0.00
150
+ ATOM 150 C PTH 1 32.32 87.79 23.4 0.00 0.00
151
+ ATOM 151 C PTH 1 32.32 87.79 24.4 0.00 0.00
152
+ ATOM 152 C PTH 1 32.32 88.79 21.4 0.00 0.00
153
+ ATOM 153 C PTH 1 32.32 88.79 22.4 0.00 0.00
154
+ ATOM 154 C PTH 1 32.32 88.79 23.4 0.00 0.00
155
+ ATOM 155 C PTH 1 32.32 89.79 20.4 0.00 0.00
156
+ ATOM 156 C PTH 1 32.32 89.79 21.4 0.00 0.00
157
+ ATOM 157 C PTH 1 32.32 89.79 22.4 0.00 0.00
158
+ ATOM 158 C PTH 1 32.32 89.79 23.4 0.00 0.00
159
+ ATOM 159 C PTH 1 32.32 90.79 19.4 0.00 0.00
160
+ ATOM 160 C PTH 1 32.32 90.79 20.4 0.00 0.00
161
+ ATOM 161 C PTH 1 32.32 90.79 21.4 0.00 0.00
162
+ ATOM 162 C PTH 1 32.32 90.79 22.4 0.00 0.00
163
+ ATOM 163 C PTH 1 32.32 90.79 23.4 0.00 0.00
164
+ ATOM 164 C PTH 1 32.32 90.79 24.4 0.00 0.00
165
+ ATOM 165 C PTH 1 32.32 91.79 18.4 0.00 0.00
166
+ ATOM 166 C PTH 1 32.32 91.79 19.4 0.00 0.00
167
+ ATOM 167 C PTH 1 32.32 91.79 20.4 0.00 0.00
168
+ ATOM 168 C PTH 1 32.32 91.79 21.4 0.00 0.00
169
+ ATOM 169 C PTH 1 32.32 91.79 22.4 0.00 0.00
170
+ ATOM 170 C PTH 1 32.32 91.79 23.4 0.00 0.00
171
+ ATOM 171 C PTH 1 32.32 91.79 24.4 0.00 0.00
172
+ ATOM 172 C PTH 1 32.32 92.79 18.4 0.00 0.00
173
+ ATOM 173 C PTH 1 32.32 92.79 19.4 0.00 0.00
174
+ ATOM 174 C PTH 1 32.32 92.79 20.4 0.00 0.00
175
+ ATOM 175 C PTH 1 32.32 92.79 21.4 0.00 0.00
176
+ ATOM 176 C PTH 1 32.32 92.79 22.4 0.00 0.00
177
+ ATOM 177 C PTH 1 32.32 92.79 23.4 0.00 0.00
178
+ ATOM 178 C PTH 1 32.32 92.79 24.4 0.00 0.00
179
+ ATOM 179 C PTH 1 32.32 93.79 18.4 0.00 0.00
180
+ ATOM 180 C PTH 1 32.32 93.79 19.4 0.00 0.00
181
+ ATOM 181 C PTH 1 32.32 93.79 20.4 0.00 0.00
182
+ ATOM 182 C PTH 1 32.32 93.79 21.4 0.00 0.00
183
+ ATOM 183 C PTH 1 32.32 93.79 22.4 0.00 0.00
184
+ ATOM 184 C PTH 1 32.32 94.79 17.4 0.00 0.00
185
+ ATOM 185 C PTH 1 32.32 94.79 18.4 0.00 0.00
186
+ ATOM 186 C PTH 1 32.32 94.79 19.4 0.00 0.00
187
+ ATOM 187 C PTH 1 32.32 94.79 20.4 0.00 0.00
188
+ ATOM 188 C PTH 1 32.32 95.79 17.4 0.00 0.00
189
+ ATOM 189 C PTH 1 32.32 95.79 18.4 0.00 0.00
190
+ ATOM 190 C PTH 1 32.32 95.79 19.4 0.00 0.00
191
+ ATOM 191 C PTH 1 32.32 95.79 20.4 0.00 0.00
192
+ ATOM 192 C PTH 1 32.32 96.79 13.4 0.00 0.00
193
+ ATOM 193 C PTH 1 32.32 96.79 14.4 0.00 0.00
194
+ ATOM 194 C PTH 1 32.32 96.79 17.4 0.00 0.00
195
+ ATOM 195 C PTH 1 32.32 96.79 18.4 0.00 0.00
196
+ ATOM 196 C PTH 1 32.32 96.79 19.4 0.00 0.00
197
+ ATOM 197 C PTH 1 32.32 96.79 20.4 0.00 0.00
198
+ ATOM 198 C PTH 1 32.32 97.79 12.4 0.00 0.00
199
+ ATOM 199 C PTH 1 32.32 97.79 13.4 0.00 0.00
200
+ ATOM 200 C PTH 1 32.32 97.79 14.4 0.00 0.00
201
+ ATOM 201 C PTH 1 32.32 97.79 15.4 0.00 0.00
202
+ ATOM 202 C PTH 1 32.32 97.79 16.4 0.00 0.00
203
+ ATOM 203 C PTH 1 32.32 97.79 17.4 0.00 0.00
204
+ ATOM 204 C PTH 1 32.32 97.79 18.4 0.00 0.00
205
+ ATOM 205 C PTH 1 32.32 97.79 19.4 0.00 0.00
206
+ ATOM 206 C PTH 1 32.32 97.79 20.4 0.00 0.00
207
+ ATOM 207 C PTH 1 32.32 98.79 12.4 0.00 0.00
208
+ ATOM 208 C PTH 1 32.32 98.79 13.4 0.00 0.00
209
+ ATOM 209 C PTH 1 32.32 98.79 14.4 0.00 0.00
210
+ ATOM 210 C PTH 1 32.32 98.79 15.4 0.00 0.00
211
+ ATOM 211 C PTH 1 32.32 98.79 16.4 0.00 0.00
212
+ ATOM 212 C PTH 1 32.32 98.79 17.4 0.00 0.00
213
+ ATOM 213 C PTH 1 32.32 98.79 18.4 0.00 0.00
214
+ ATOM 214 C PTH 1 32.32 98.79 19.4 0.00 0.00
215
+ ATOM 215 C PTH 1 32.32 98.79 20.4 0.00 0.00
216
+ ATOM 216 C PTH 1 32.32 99.79 13.4 0.00 0.00
217
+ ATOM 217 C PTH 1 32.32 99.79 14.4 0.00 0.00
218
+ ATOM 218 C PTH 1 32.32 99.79 15.4 0.00 0.00
219
+ ATOM 219 C PTH 1 32.32 99.79 16.4 0.00 0.00
220
+ ATOM 220 C PTH 1 32.32 99.79 17.4 0.00 0.00
221
+ ATOM 221 C PTH 1 32.32 99.79 18.4 0.00 0.00
222
+ ATOM 222 C PTH 1 32.32 100.79 13.4 0.00 0.00
223
+ ATOM 223 C PTH 1 32.32 100.79 14.4 0.00 0.00
224
+ ATOM 224 C PTH 1 32.32 100.79 15.4 0.00 0.00
225
+ ATOM 225 C PTH 1 32.32 100.79 16.4 0.00 0.00
226
+ ATOM 226 C PTH 1 32.32 100.79 17.4 0.00 0.00
227
+ ATOM 227 C PTH 1 33.32 88.79 21.4 0.00 0.00
228
+ ATOM 228 C PTH 1 33.32 89.79 21.4 0.00 0.00
229
+ ATOM 229 C PTH 1 33.32 89.79 22.4 0.00 0.00
230
+ ATOM 230 C PTH 1 33.32 90.79 21.4 0.00 0.00
231
+ ATOM 231 C PTH 1 33.32 90.79 22.4 0.00 0.00
232
+ ATOM 232 C PTH 1 33.32 91.79 18.4 0.00 0.00
233
+ ATOM 233 C PTH 1 33.32 91.79 19.4 0.00 0.00
234
+ ATOM 234 C PTH 1 33.32 91.79 20.4 0.00 0.00
235
+ ATOM 235 C PTH 1 33.32 91.79 21.4 0.00 0.00
236
+ ATOM 236 C PTH 1 33.32 91.79 22.4 0.00 0.00
237
+ ATOM 237 C PTH 1 33.32 92.79 18.4 0.00 0.00
238
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239
+ ATOM 239 C PTH 1 33.32 92.79 20.4 0.00 0.00
240
+ ATOM 240 C PTH 1 33.32 92.79 21.4 0.00 0.00
241
+ ATOM 241 C PTH 1 33.32 92.79 22.4 0.00 0.00
242
+ ATOM 242 C PTH 1 33.32 93.79 17.4 0.00 0.00
243
+ ATOM 243 C PTH 1 33.32 93.79 18.4 0.00 0.00
244
+ ATOM 244 C PTH 1 33.32 93.79 19.4 0.00 0.00
245
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246
+ ATOM 246 C PTH 1 33.32 93.79 21.4 0.00 0.00
247
+ ATOM 247 C PTH 1 33.32 94.79 17.4 0.00 0.00
248
+ ATOM 248 C PTH 1 33.32 94.79 18.4 0.00 0.00
249
+ ATOM 249 C PTH 1 33.32 94.79 19.4 0.00 0.00
250
+ ATOM 250 C PTH 1 33.32 94.79 20.4 0.00 0.00
251
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252
+ ATOM 252 C PTH 1 33.32 95.79 17.4 0.00 0.00
253
+ ATOM 253 C PTH 1 33.32 95.79 18.4 0.00 0.00
254
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255
+ ATOM 255 C PTH 1 33.32 95.79 20.4 0.00 0.00
256
+ ATOM 256 C PTH 1 33.32 96.79 13.4 0.00 0.00
257
+ ATOM 257 C PTH 1 33.32 96.79 16.4 0.00 0.00
258
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259
+ ATOM 259 C PTH 1 33.32 96.79 18.4 0.00 0.00
260
+ ATOM 260 C PTH 1 33.32 96.79 19.4 0.00 0.00
261
+ ATOM 261 C PTH 1 33.32 96.79 20.4 0.00 0.00
262
+ ATOM 262 C PTH 1 33.32 97.79 13.4 0.00 0.00
263
+ ATOM 263 C PTH 1 33.32 97.79 14.4 0.00 0.00
264
+ ATOM 264 C PTH 1 33.32 97.79 15.4 0.00 0.00
265
+ ATOM 265 C PTH 1 33.32 97.79 16.4 0.00 0.00
266
+ ATOM 266 C PTH 1 33.32 97.79 17.4 0.00 0.00
267
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268
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269
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270
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271
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272
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273
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274
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275
+ ATOM 275 C PTH 1 33.32 98.79 18.4 0.00 0.00
276
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277
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278
+ ATOM 278 C PTH 1 33.32 99.79 13.4 0.00 0.00
279
+ ATOM 279 C PTH 1 33.32 99.79 14.4 0.00 0.00
280
+ ATOM 280 C PTH 1 33.32 99.79 15.4 0.00 0.00
281
+ ATOM 281 C PTH 1 33.32 99.79 16.4 0.00 0.00
282
+ ATOM 282 C PTH 1 33.32 99.79 17.4 0.00 0.00
283
+ ATOM 283 C PTH 1 33.32 99.79 18.4 0.00 0.00
284
+ ATOM 284 C PTH 1 33.32 99.79 19.4 0.00 0.00
285
+ ATOM 285 C PTH 1 33.32 100.79 14.4 0.00 0.00
286
+ ATOM 286 C PTH 1 33.32 100.79 15.4 0.00 0.00
287
+ ATOM 287 C PTH 1 33.32 100.79 16.4 0.00 0.00
288
+ ATOM 288 C PTH 1 33.32 100.79 17.4 0.00 0.00
289
+ ATOM 289 C PTH 1 34.32 90.79 21.4 0.00 0.00
290
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291
+ ATOM 291 C PTH 1 34.32 91.79 19.4 0.00 0.00
292
+ ATOM 292 C PTH 1 34.32 91.79 20.4 0.00 0.00
293
+ ATOM 293 C PTH 1 34.32 91.79 21.4 0.00 0.00
294
+ ATOM 294 C PTH 1 34.32 92.79 18.4 0.00 0.00
295
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296
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297
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298
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299
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300
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301
+ ATOM 301 C PTH 1 34.32 93.79 21.4 0.00 0.00
302
+ ATOM 302 C PTH 1 34.32 94.79 18.4 0.00 0.00
303
+ ATOM 303 C PTH 1 34.32 94.79 19.4 0.00 0.00
304
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305
+ ATOM 305 C PTH 1 34.32 95.79 17.4 0.00 0.00
306
+ ATOM 306 C PTH 1 34.32 95.79 18.4 0.00 0.00
307
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308
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309
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310
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311
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312
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313
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314
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315
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316
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317
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318
+ ATOM 318 C PTH 1 34.32 97.79 19.4 0.00 0.00
319
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320
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321
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322
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323
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324
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325
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326
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327
+ ATOM 327 C PTH 1 34.32 99.79 15.4 0.00 0.00
328
+ ATOM 328 C PTH 1 34.32 99.79 16.4 0.00 0.00
329
+ ATOM 329 C PTH 1 34.32 99.79 17.4 0.00 0.00
330
+ ATOM 330 C PTH 1 34.32 99.79 18.4 0.00 0.00
331
+ ATOM 331 C PTH 1 35.32 91.79 18.4 0.00 0.00
332
+ ATOM 332 C PTH 1 35.32 91.79 19.4 0.00 0.00
333
+ ATOM 333 C PTH 1 35.32 91.79 20.4 0.00 0.00
334
+ ATOM 334 C PTH 1 35.32 92.79 19.4 0.00 0.00
335
+ ATOM 335 C PTH 1 35.32 92.79 20.4 0.00 0.00
336
+ ATOM 336 C PTH 1 35.32 95.79 17.4 0.00 0.00
337
+ ATOM 337 C PTH 1 35.32 95.79 18.4 0.00 0.00
338
+ ATOM 338 C PTH 1 35.32 95.79 19.4 0.00 0.00
339
+ ATOM 339 C PTH 1 35.32 95.79 20.4 0.00 0.00
340
+ ATOM 340 C PTH 1 35.32 96.79 17.4 0.00 0.00
341
+ ATOM 341 C PTH 1 35.32 96.79 18.4 0.00 0.00
342
+ ATOM 342 C PTH 1 35.32 96.79 19.4 0.00 0.00
343
+ ATOM 343 C PTH 1 35.32 96.79 20.4 0.00 0.00
344
+ ATOM 344 C PTH 1 35.32 97.79 17.4 0.00 0.00
345
+ ATOM 345 C PTH 1 35.32 97.79 18.4 0.00 0.00
346
+ ATOM 346 C PTH 1 35.32 97.79 19.4 0.00 0.00
347
+ ATOM 347 C PTH 1 35.32 97.79 20.4 0.00 0.00
348
+ ATOM 348 C PTH 1 35.32 98.79 17.4 0.00 0.00
349
+ ATOM 349 C PTH 1 35.32 98.79 18.4 0.00 0.00
350
+ ATOM 350 C PTH 1 35.32 98.79 19.4 0.00 0.00
data/files/A001T/pocket_04.pdb ADDED
@@ -0,0 +1,317 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 67.32 68.79 58.4 0.00 0.00
2
+ ATOM 2 C PTH 1 67.32 68.79 59.4 0.00 0.00
3
+ ATOM 3 C PTH 1 67.32 69.79 52.4 0.00 0.00
4
+ ATOM 4 C PTH 1 67.32 69.79 58.4 0.00 0.00
5
+ ATOM 5 C PTH 1 67.32 69.79 59.4 0.00 0.00
6
+ ATOM 6 C PTH 1 67.32 70.79 52.4 0.00 0.00
7
+ ATOM 7 C PTH 1 67.32 70.79 53.4 0.00 0.00
8
+ ATOM 8 C PTH 1 67.32 70.79 58.4 0.00 0.00
9
+ ATOM 9 C PTH 1 67.32 70.79 59.4 0.00 0.00
10
+ ATOM 10 C PTH 1 67.32 71.79 58.4 0.00 0.00
11
+ ATOM 11 C PTH 1 67.32 71.79 59.4 0.00 0.00
12
+ ATOM 12 C PTH 1 68.32 67.79 50.4 0.00 0.00
13
+ ATOM 13 C PTH 1 68.32 67.79 51.4 0.00 0.00
14
+ ATOM 14 C PTH 1 68.32 68.79 50.4 0.00 0.00
15
+ ATOM 15 C PTH 1 68.32 68.79 51.4 0.00 0.00
16
+ ATOM 16 C PTH 1 68.32 68.79 52.4 0.00 0.00
17
+ ATOM 17 C PTH 1 68.32 68.79 53.4 0.00 0.00
18
+ ATOM 18 C PTH 1 68.32 68.79 56.4 0.00 0.00
19
+ ATOM 19 C PTH 1 68.32 68.79 57.4 0.00 0.00
20
+ ATOM 20 C PTH 1 68.32 68.79 58.4 0.00 0.00
21
+ ATOM 21 C PTH 1 68.32 69.79 49.4 0.00 0.00
22
+ ATOM 22 C PTH 1 68.32 69.79 50.4 0.00 0.00
23
+ ATOM 23 C PTH 1 68.32 69.79 51.4 0.00 0.00
24
+ ATOM 24 C PTH 1 68.32 69.79 52.4 0.00 0.00
25
+ ATOM 25 C PTH 1 68.32 69.79 53.4 0.00 0.00
26
+ ATOM 26 C PTH 1 68.32 69.79 54.4 0.00 0.00
27
+ ATOM 27 C PTH 1 68.32 69.79 55.4 0.00 0.00
28
+ ATOM 28 C PTH 1 68.32 69.79 56.4 0.00 0.00
29
+ ATOM 29 C PTH 1 68.32 69.79 57.4 0.00 0.00
30
+ ATOM 30 C PTH 1 68.32 69.79 58.4 0.00 0.00
31
+ ATOM 31 C PTH 1 68.32 69.79 59.4 0.00 0.00
32
+ ATOM 32 C PTH 1 68.32 70.79 50.4 0.00 0.00
33
+ ATOM 33 C PTH 1 68.32 70.79 51.4 0.00 0.00
34
+ ATOM 34 C PTH 1 68.32 70.79 52.4 0.00 0.00
35
+ ATOM 35 C PTH 1 68.32 70.79 53.4 0.00 0.00
36
+ ATOM 36 C PTH 1 68.32 70.79 54.4 0.00 0.00
37
+ ATOM 37 C PTH 1 68.32 70.79 55.4 0.00 0.00
38
+ ATOM 38 C PTH 1 68.32 70.79 56.4 0.00 0.00
39
+ ATOM 39 C PTH 1 68.32 70.79 57.4 0.00 0.00
40
+ ATOM 40 C PTH 1 68.32 70.79 58.4 0.00 0.00
41
+ ATOM 41 C PTH 1 68.32 70.79 59.4 0.00 0.00
42
+ ATOM 42 C PTH 1 68.32 71.79 50.4 0.00 0.00
43
+ ATOM 43 C PTH 1 68.32 71.79 51.4 0.00 0.00
44
+ ATOM 44 C PTH 1 68.32 71.79 52.4 0.00 0.00
45
+ ATOM 45 C PTH 1 68.32 71.79 53.4 0.00 0.00
46
+ ATOM 46 C PTH 1 68.32 71.79 54.4 0.00 0.00
47
+ ATOM 47 C PTH 1 68.32 71.79 55.4 0.00 0.00
48
+ ATOM 48 C PTH 1 68.32 71.79 56.4 0.00 0.00
49
+ ATOM 49 C PTH 1 68.32 71.79 57.4 0.00 0.00
50
+ ATOM 50 C PTH 1 68.32 71.79 58.4 0.00 0.00
51
+ ATOM 51 C PTH 1 68.32 71.79 59.4 0.00 0.00
52
+ ATOM 52 C PTH 1 68.32 72.79 47.4 0.00 0.00
53
+ ATOM 53 C PTH 1 68.32 72.79 51.4 0.00 0.00
54
+ ATOM 54 C PTH 1 68.32 72.79 52.4 0.00 0.00
55
+ ATOM 55 C PTH 1 68.32 72.79 53.4 0.00 0.00
56
+ ATOM 56 C PTH 1 68.32 72.79 54.4 0.00 0.00
57
+ ATOM 57 C PTH 1 68.32 72.79 59.4 0.00 0.00
58
+ ATOM 58 C PTH 1 69.32 66.79 48.4 0.00 0.00
59
+ ATOM 59 C PTH 1 69.32 66.79 49.4 0.00 0.00
60
+ ATOM 60 C PTH 1 69.32 66.79 50.4 0.00 0.00
61
+ ATOM 61 C PTH 1 69.32 67.79 47.4 0.00 0.00
62
+ ATOM 62 C PTH 1 69.32 67.79 48.4 0.00 0.00
63
+ ATOM 63 C PTH 1 69.32 67.79 49.4 0.00 0.00
64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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228
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229
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230
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
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242
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243
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244
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245
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246
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247
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248
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249
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250
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251
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252
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253
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254
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255
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256
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257
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258
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259
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260
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261
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262
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263
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264
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265
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266
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267
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268
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269
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270
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271
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272
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273
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274
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275
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276
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277
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278
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279
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280
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281
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282
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283
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284
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285
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286
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287
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288
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289
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290
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291
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292
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293
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294
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295
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296
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297
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298
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299
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300
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301
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302
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303
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304
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305
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306
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307
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308
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309
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310
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311
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312
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313
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314
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315
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317
+ ATOM 317 C PTH 1 73.32 66.79 49.4 0.00 0.00
data/files/A001T/pocket_05.pdb ADDED
@@ -0,0 +1,308 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 54.32 89.79 31.4 0.00 0.00
2
+ ATOM 2 C PTH 1 54.32 89.79 32.4 0.00 0.00
3
+ ATOM 3 C PTH 1 54.32 90.79 32.4 0.00 0.00
4
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5
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6
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7
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8
+ ATOM 8 C PTH 1 54.32 95.79 34.4 0.00 0.00
9
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10
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11
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12
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13
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14
+ ATOM 14 C PTH 1 54.32 96.79 36.4 0.00 0.00
15
+ ATOM 15 C PTH 1 54.32 97.79 33.4 0.00 0.00
16
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17
+ ATOM 17 C PTH 1 54.32 97.79 35.4 0.00 0.00
18
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19
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20
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21
+ ATOM 21 C PTH 1 55.32 89.79 29.4 0.00 0.00
22
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23
+ ATOM 23 C PTH 1 55.32 89.79 31.4 0.00 0.00
24
+ ATOM 24 C PTH 1 55.32 89.79 32.4 0.00 0.00
25
+ ATOM 25 C PTH 1 55.32 89.79 33.4 0.00 0.00
26
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27
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28
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29
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30
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31
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32
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33
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35
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38
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41
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53
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54
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55
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57
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61
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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122
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123
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124
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125
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126
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127
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128
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129
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130
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132
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134
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135
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136
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137
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138
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139
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141
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143
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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191
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192
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193
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195
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196
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197
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198
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199
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200
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201
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202
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210
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211
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213
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214
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215
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216
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217
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218
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219
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220
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221
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223
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224
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227
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228
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229
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230
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
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242
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243
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244
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245
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246
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247
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248
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249
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250
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251
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252
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254
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255
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256
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258
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259
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260
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261
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263
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264
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268
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274
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275
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276
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277
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278
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279
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280
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281
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282
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285
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286
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287
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290
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292
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293
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294
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295
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296
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297
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299
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300
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308
+ ATOM 308 C PTH 1 61.32 98.79 34.4 0.00 0.00
data/files/A001T/pocket_06.pdb ADDED
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67
+ ATOM 67 C PTH 1 37.32 103.79 40.4 0.00 0.00
68
+ ATOM 68 C PTH 1 37.32 103.79 41.4 0.00 0.00
69
+ ATOM 69 C PTH 1 37.32 103.79 42.4 0.00 0.00
70
+ ATOM 70 C PTH 1 37.32 103.79 43.4 0.00 0.00
71
+ ATOM 71 C PTH 1 37.32 103.79 44.4 0.00 0.00
72
+ ATOM 72 C PTH 1 37.32 104.79 39.4 0.00 0.00
73
+ ATOM 73 C PTH 1 37.32 104.79 40.4 0.00 0.00
74
+ ATOM 74 C PTH 1 37.32 104.79 41.4 0.00 0.00
75
+ ATOM 75 C PTH 1 37.32 104.79 42.4 0.00 0.00
76
+ ATOM 76 C PTH 1 37.32 104.79 43.4 0.00 0.00
77
+ ATOM 77 C PTH 1 37.32 104.79 44.4 0.00 0.00
78
+ ATOM 78 C PTH 1 37.32 105.79 41.4 0.00 0.00
79
+ ATOM 79 C PTH 1 37.32 105.79 42.4 0.00 0.00
80
+ ATOM 80 C PTH 1 37.32 105.79 43.4 0.00 0.00
81
+ ATOM 81 C PTH 1 37.32 105.79 44.4 0.00 0.00
82
+ ATOM 82 C PTH 1 37.32 106.79 41.4 0.00 0.00
83
+ ATOM 83 C PTH 1 37.32 106.79 42.4 0.00 0.00
84
+ ATOM 84 C PTH 1 37.32 106.79 43.4 0.00 0.00
85
+ ATOM 85 C PTH 1 37.32 106.79 44.4 0.00 0.00
86
+ ATOM 86 C PTH 1 37.32 107.79 41.4 0.00 0.00
87
+ ATOM 87 C PTH 1 37.32 107.79 42.4 0.00 0.00
88
+ ATOM 88 C PTH 1 37.32 107.79 43.4 0.00 0.00
89
+ ATOM 89 C PTH 1 37.32 107.79 44.4 0.00 0.00
90
+ ATOM 90 C PTH 1 37.32 108.79 42.4 0.00 0.00
91
+ ATOM 91 C PTH 1 37.32 108.79 43.4 0.00 0.00
92
+ ATOM 92 C PTH 1 38.32 100.79 45.4 0.00 0.00
93
+ ATOM 93 C PTH 1 38.32 101.79 38.4 0.00 0.00
94
+ ATOM 94 C PTH 1 38.32 101.79 39.4 0.00 0.00
95
+ ATOM 95 C PTH 1 38.32 101.79 40.4 0.00 0.00
96
+ ATOM 96 C PTH 1 38.32 101.79 41.4 0.00 0.00
97
+ ATOM 97 C PTH 1 38.32 101.79 42.4 0.00 0.00
98
+ ATOM 98 C PTH 1 38.32 101.79 43.4 0.00 0.00
99
+ ATOM 99 C PTH 1 38.32 101.79 44.4 0.00 0.00
100
+ ATOM 100 C PTH 1 38.32 102.79 38.4 0.00 0.00
101
+ ATOM 101 C PTH 1 38.32 102.79 39.4 0.00 0.00
102
+ ATOM 102 C PTH 1 38.32 102.79 40.4 0.00 0.00
103
+ ATOM 103 C PTH 1 38.32 102.79 41.4 0.00 0.00
104
+ ATOM 104 C PTH 1 38.32 102.79 42.4 0.00 0.00
105
+ ATOM 105 C PTH 1 38.32 102.79 43.4 0.00 0.00
106
+ ATOM 106 C PTH 1 38.32 102.79 44.4 0.00 0.00
107
+ ATOM 107 C PTH 1 38.32 103.79 38.4 0.00 0.00
108
+ ATOM 108 C PTH 1 38.32 103.79 39.4 0.00 0.00
109
+ ATOM 109 C PTH 1 38.32 103.79 40.4 0.00 0.00
110
+ ATOM 110 C PTH 1 38.32 103.79 41.4 0.00 0.00
111
+ ATOM 111 C PTH 1 38.32 103.79 42.4 0.00 0.00
112
+ ATOM 112 C PTH 1 38.32 103.79 43.4 0.00 0.00
113
+ ATOM 113 C PTH 1 38.32 103.79 44.4 0.00 0.00
114
+ ATOM 114 C PTH 1 38.32 104.79 39.4 0.00 0.00
115
+ ATOM 115 C PTH 1 38.32 104.79 40.4 0.00 0.00
116
+ ATOM 116 C PTH 1 38.32 104.79 41.4 0.00 0.00
117
+ ATOM 117 C PTH 1 38.32 104.79 42.4 0.00 0.00
118
+ ATOM 118 C PTH 1 38.32 104.79 43.4 0.00 0.00
119
+ ATOM 119 C PTH 1 38.32 104.79 44.4 0.00 0.00
120
+ ATOM 120 C PTH 1 38.32 105.79 40.4 0.00 0.00
121
+ ATOM 121 C PTH 1 38.32 105.79 41.4 0.00 0.00
122
+ ATOM 122 C PTH 1 38.32 105.79 42.4 0.00 0.00
123
+ ATOM 123 C PTH 1 38.32 105.79 43.4 0.00 0.00
124
+ ATOM 124 C PTH 1 38.32 105.79 44.4 0.00 0.00
125
+ ATOM 125 C PTH 1 38.32 106.79 41.4 0.00 0.00
126
+ ATOM 126 C PTH 1 38.32 106.79 42.4 0.00 0.00
127
+ ATOM 127 C PTH 1 38.32 106.79 43.4 0.00 0.00
128
+ ATOM 128 C PTH 1 38.32 106.79 44.4 0.00 0.00
129
+ ATOM 129 C PTH 1 38.32 107.79 41.4 0.00 0.00
130
+ ATOM 130 C PTH 1 38.32 107.79 42.4 0.00 0.00
131
+ ATOM 131 C PTH 1 38.32 107.79 43.4 0.00 0.00
132
+ ATOM 132 C PTH 1 38.32 107.79 44.4 0.00 0.00
133
+ ATOM 133 C PTH 1 38.32 108.79 42.4 0.00 0.00
134
+ ATOM 134 C PTH 1 38.32 108.79 43.4 0.00 0.00
135
+ ATOM 135 C PTH 1 39.32 100.79 43.4 0.00 0.00
136
+ ATOM 136 C PTH 1 39.32 100.79 44.4 0.00 0.00
137
+ ATOM 137 C PTH 1 39.32 100.79 45.4 0.00 0.00
138
+ ATOM 138 C PTH 1 39.32 100.79 46.4 0.00 0.00
139
+ ATOM 139 C PTH 1 39.32 101.79 38.4 0.00 0.00
140
+ ATOM 140 C PTH 1 39.32 101.79 39.4 0.00 0.00
141
+ ATOM 141 C PTH 1 39.32 101.79 40.4 0.00 0.00
142
+ ATOM 142 C PTH 1 39.32 101.79 41.4 0.00 0.00
143
+ ATOM 143 C PTH 1 39.32 101.79 42.4 0.00 0.00
144
+ ATOM 144 C PTH 1 39.32 101.79 43.4 0.00 0.00
145
+ ATOM 145 C PTH 1 39.32 101.79 44.4 0.00 0.00
146
+ ATOM 146 C PTH 1 39.32 101.79 45.4 0.00 0.00
147
+ ATOM 147 C PTH 1 39.32 102.79 38.4 0.00 0.00
148
+ ATOM 148 C PTH 1 39.32 102.79 39.4 0.00 0.00
149
+ ATOM 149 C PTH 1 39.32 102.79 40.4 0.00 0.00
150
+ ATOM 150 C PTH 1 39.32 102.79 41.4 0.00 0.00
151
+ ATOM 151 C PTH 1 39.32 102.79 42.4 0.00 0.00
152
+ ATOM 152 C PTH 1 39.32 102.79 43.4 0.00 0.00
153
+ ATOM 153 C PTH 1 39.32 102.79 44.4 0.00 0.00
154
+ ATOM 154 C PTH 1 39.32 102.79 45.4 0.00 0.00
155
+ ATOM 155 C PTH 1 39.32 103.79 39.4 0.00 0.00
156
+ ATOM 156 C PTH 1 39.32 103.79 40.4 0.00 0.00
157
+ ATOM 157 C PTH 1 39.32 103.79 41.4 0.00 0.00
158
+ ATOM 158 C PTH 1 39.32 103.79 42.4 0.00 0.00
159
+ ATOM 159 C PTH 1 39.32 103.79 43.4 0.00 0.00
160
+ ATOM 160 C PTH 1 39.32 103.79 44.4 0.00 0.00
161
+ ATOM 161 C PTH 1 39.32 104.79 40.4 0.00 0.00
162
+ ATOM 162 C PTH 1 39.32 104.79 41.4 0.00 0.00
163
+ ATOM 163 C PTH 1 39.32 104.79 42.4 0.00 0.00
164
+ ATOM 164 C PTH 1 39.32 104.79 43.4 0.00 0.00
165
+ ATOM 165 C PTH 1 39.32 104.79 44.4 0.00 0.00
166
+ ATOM 166 C PTH 1 39.32 105.79 41.4 0.00 0.00
167
+ ATOM 167 C PTH 1 39.32 105.79 42.4 0.00 0.00
168
+ ATOM 168 C PTH 1 39.32 105.79 43.4 0.00 0.00
169
+ ATOM 169 C PTH 1 39.32 105.79 44.4 0.00 0.00
170
+ ATOM 170 C PTH 1 39.32 106.79 41.4 0.00 0.00
171
+ ATOM 171 C PTH 1 39.32 106.79 42.4 0.00 0.00
172
+ ATOM 172 C PTH 1 39.32 106.79 43.4 0.00 0.00
173
+ ATOM 173 C PTH 1 39.32 106.79 44.4 0.00 0.00
174
+ ATOM 174 C PTH 1 39.32 107.79 41.4 0.00 0.00
175
+ ATOM 175 C PTH 1 39.32 107.79 42.4 0.00 0.00
176
+ ATOM 176 C PTH 1 39.32 107.79 43.4 0.00 0.00
177
+ ATOM 177 C PTH 1 39.32 107.79 44.4 0.00 0.00
178
+ ATOM 178 C PTH 1 40.32 100.79 43.4 0.00 0.00
179
+ ATOM 179 C PTH 1 40.32 100.79 44.4 0.00 0.00
180
+ ATOM 180 C PTH 1 40.32 100.79 45.4 0.00 0.00
181
+ ATOM 181 C PTH 1 40.32 100.79 46.4 0.00 0.00
182
+ ATOM 182 C PTH 1 40.32 101.79 42.4 0.00 0.00
183
+ ATOM 183 C PTH 1 40.32 101.79 43.4 0.00 0.00
184
+ ATOM 184 C PTH 1 40.32 101.79 44.4 0.00 0.00
185
+ ATOM 185 C PTH 1 40.32 101.79 45.4 0.00 0.00
186
+ ATOM 186 C PTH 1 40.32 102.79 42.4 0.00 0.00
187
+ ATOM 187 C PTH 1 40.32 102.79 43.4 0.00 0.00
188
+ ATOM 188 C PTH 1 40.32 102.79 44.4 0.00 0.00
189
+ ATOM 189 C PTH 1 40.32 102.79 45.4 0.00 0.00
190
+ ATOM 190 C PTH 1 40.32 103.79 42.4 0.00 0.00
191
+ ATOM 191 C PTH 1 40.32 103.79 43.4 0.00 0.00
192
+ ATOM 192 C PTH 1 40.32 103.79 44.4 0.00 0.00
193
+ ATOM 193 C PTH 1 40.32 104.79 42.4 0.00 0.00
194
+ ATOM 194 C PTH 1 40.32 104.79 43.4 0.00 0.00
195
+ ATOM 195 C PTH 1 40.32 104.79 44.4 0.00 0.00
196
+ ATOM 196 C PTH 1 40.32 105.79 42.4 0.00 0.00
197
+ ATOM 197 C PTH 1 40.32 105.79 43.4 0.00 0.00
198
+ ATOM 198 C PTH 1 40.32 105.79 44.4 0.00 0.00
199
+ ATOM 199 C PTH 1 40.32 106.79 42.4 0.00 0.00
200
+ ATOM 200 C PTH 1 41.32 100.79 43.4 0.00 0.00
201
+ ATOM 201 C PTH 1 41.32 100.79 44.4 0.00 0.00
202
+ ATOM 202 C PTH 1 41.32 100.79 45.4 0.00 0.00
203
+ ATOM 203 C PTH 1 41.32 101.79 43.4 0.00 0.00
204
+ ATOM 204 C PTH 1 41.32 101.79 44.4 0.00 0.00
205
+ ATOM 205 C PTH 1 41.32 101.79 45.4 0.00 0.00
206
+ ATOM 206 C PTH 1 41.32 102.79 43.4 0.00 0.00
207
+ ATOM 207 C PTH 1 41.32 102.79 44.4 0.00 0.00
208
+ ATOM 208 C PTH 1 41.32 102.79 45.4 0.00 0.00
data/files/A001T/pocket_08.pdb ADDED
@@ -0,0 +1,160 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 61.32 66.79 33.4 0.00 0.00
2
+ ATOM 2 C PTH 1 61.32 66.79 34.4 0.00 0.00
3
+ ATOM 3 C PTH 1 61.32 67.79 32.4 0.00 0.00
4
+ ATOM 4 C PTH 1 61.32 67.79 33.4 0.00 0.00
5
+ ATOM 5 C PTH 1 61.32 67.79 34.4 0.00 0.00
6
+ ATOM 6 C PTH 1 61.32 68.79 32.4 0.00 0.00
7
+ ATOM 7 C PTH 1 61.32 68.79 33.4 0.00 0.00
8
+ ATOM 8 C PTH 1 61.32 68.79 34.4 0.00 0.00
9
+ ATOM 9 C PTH 1 61.32 68.79 35.4 0.00 0.00
10
+ ATOM 10 C PTH 1 61.32 69.79 32.4 0.00 0.00
11
+ ATOM 11 C PTH 1 61.32 69.79 33.4 0.00 0.00
12
+ ATOM 12 C PTH 1 61.32 69.79 34.4 0.00 0.00
13
+ ATOM 13 C PTH 1 61.32 70.79 32.4 0.00 0.00
14
+ ATOM 14 C PTH 1 61.32 70.79 33.4 0.00 0.00
15
+ ATOM 15 C PTH 1 62.32 65.79 33.4 0.00 0.00
16
+ ATOM 16 C PTH 1 62.32 66.79 32.4 0.00 0.00
17
+ ATOM 17 C PTH 1 62.32 66.79 33.4 0.00 0.00
18
+ ATOM 18 C PTH 1 62.32 66.79 34.4 0.00 0.00
19
+ ATOM 19 C PTH 1 62.32 66.79 35.4 0.00 0.00
20
+ ATOM 20 C PTH 1 62.32 67.79 31.4 0.00 0.00
21
+ ATOM 21 C PTH 1 62.32 67.79 32.4 0.00 0.00
22
+ ATOM 22 C PTH 1 62.32 67.79 33.4 0.00 0.00
23
+ ATOM 23 C PTH 1 62.32 67.79 34.4 0.00 0.00
24
+ ATOM 24 C PTH 1 62.32 67.79 35.4 0.00 0.00
25
+ ATOM 25 C PTH 1 62.32 68.79 31.4 0.00 0.00
26
+ ATOM 26 C PTH 1 62.32 68.79 32.4 0.00 0.00
27
+ ATOM 27 C PTH 1 62.32 68.79 33.4 0.00 0.00
28
+ ATOM 28 C PTH 1 62.32 68.79 34.4 0.00 0.00
29
+ ATOM 29 C PTH 1 62.32 68.79 35.4 0.00 0.00
30
+ ATOM 30 C PTH 1 62.32 69.79 30.4 0.00 0.00
31
+ ATOM 31 C PTH 1 62.32 69.79 31.4 0.00 0.00
32
+ ATOM 32 C PTH 1 62.32 69.79 32.4 0.00 0.00
33
+ ATOM 33 C PTH 1 62.32 69.79 33.4 0.00 0.00
34
+ ATOM 34 C PTH 1 62.32 69.79 34.4 0.00 0.00
35
+ ATOM 35 C PTH 1 62.32 69.79 35.4 0.00 0.00
36
+ ATOM 36 C PTH 1 62.32 70.79 30.4 0.00 0.00
37
+ ATOM 37 C PTH 1 62.32 70.79 31.4 0.00 0.00
38
+ ATOM 38 C PTH 1 62.32 70.79 32.4 0.00 0.00
39
+ ATOM 39 C PTH 1 62.32 70.79 33.4 0.00 0.00
40
+ ATOM 40 C PTH 1 62.32 70.79 34.4 0.00 0.00
41
+ ATOM 41 C PTH 1 62.32 71.79 30.4 0.00 0.00
42
+ ATOM 42 C PTH 1 62.32 71.79 31.4 0.00 0.00
43
+ ATOM 43 C PTH 1 62.32 71.79 32.4 0.00 0.00
44
+ ATOM 44 C PTH 1 62.32 71.79 33.4 0.00 0.00
45
+ ATOM 45 C PTH 1 62.32 71.79 34.4 0.00 0.00
46
+ ATOM 46 C PTH 1 63.32 65.79 32.4 0.00 0.00
47
+ ATOM 47 C PTH 1 63.32 65.79 33.4 0.00 0.00
48
+ ATOM 48 C PTH 1 63.32 65.79 34.4 0.00 0.00
49
+ ATOM 49 C PTH 1 63.32 66.79 31.4 0.00 0.00
50
+ ATOM 50 C PTH 1 63.32 66.79 32.4 0.00 0.00
51
+ ATOM 51 C PTH 1 63.32 66.79 33.4 0.00 0.00
52
+ ATOM 52 C PTH 1 63.32 66.79 34.4 0.00 0.00
53
+ ATOM 53 C PTH 1 63.32 66.79 35.4 0.00 0.00
54
+ ATOM 54 C PTH 1 63.32 67.79 31.4 0.00 0.00
55
+ ATOM 55 C PTH 1 63.32 67.79 32.4 0.00 0.00
56
+ ATOM 56 C PTH 1 63.32 67.79 33.4 0.00 0.00
57
+ ATOM 57 C PTH 1 63.32 67.79 34.4 0.00 0.00
58
+ ATOM 58 C PTH 1 63.32 67.79 35.4 0.00 0.00
59
+ ATOM 59 C PTH 1 63.32 68.79 30.4 0.00 0.00
60
+ ATOM 60 C PTH 1 63.32 68.79 31.4 0.00 0.00
61
+ ATOM 61 C PTH 1 63.32 68.79 32.4 0.00 0.00
62
+ ATOM 62 C PTH 1 63.32 68.79 33.4 0.00 0.00
63
+ ATOM 63 C PTH 1 63.32 68.79 34.4 0.00 0.00
64
+ ATOM 64 C PTH 1 63.32 68.79 35.4 0.00 0.00
65
+ ATOM 65 C PTH 1 63.32 69.79 30.4 0.00 0.00
66
+ ATOM 66 C PTH 1 63.32 69.79 31.4 0.00 0.00
67
+ ATOM 67 C PTH 1 63.32 69.79 32.4 0.00 0.00
68
+ ATOM 68 C PTH 1 63.32 69.79 33.4 0.00 0.00
69
+ ATOM 69 C PTH 1 63.32 69.79 34.4 0.00 0.00
70
+ ATOM 70 C PTH 1 63.32 69.79 35.4 0.00 0.00
71
+ ATOM 71 C PTH 1 63.32 70.79 30.4 0.00 0.00
72
+ ATOM 72 C PTH 1 63.32 70.79 31.4 0.00 0.00
73
+ ATOM 73 C PTH 1 63.32 70.79 32.4 0.00 0.00
74
+ ATOM 74 C PTH 1 63.32 70.79 33.4 0.00 0.00
75
+ ATOM 75 C PTH 1 63.32 70.79 34.4 0.00 0.00
76
+ ATOM 76 C PTH 1 63.32 70.79 35.4 0.00 0.00
77
+ ATOM 77 C PTH 1 63.32 71.79 30.4 0.00 0.00
78
+ ATOM 78 C PTH 1 63.32 71.79 31.4 0.00 0.00
79
+ ATOM 79 C PTH 1 63.32 71.79 32.4 0.00 0.00
80
+ ATOM 80 C PTH 1 63.32 71.79 33.4 0.00 0.00
81
+ ATOM 81 C PTH 1 63.32 71.79 34.4 0.00 0.00
82
+ ATOM 82 C PTH 1 63.32 72.79 32.4 0.00 0.00
83
+ ATOM 83 C PTH 1 63.32 72.79 33.4 0.00 0.00
84
+ ATOM 84 C PTH 1 64.32 65.79 32.4 0.00 0.00
85
+ ATOM 85 C PTH 1 64.32 65.79 33.4 0.00 0.00
86
+ ATOM 86 C PTH 1 64.32 65.79 34.4 0.00 0.00
87
+ ATOM 87 C PTH 1 64.32 66.79 31.4 0.00 0.00
88
+ ATOM 88 C PTH 1 64.32 66.79 32.4 0.00 0.00
89
+ ATOM 89 C PTH 1 64.32 66.79 33.4 0.00 0.00
90
+ ATOM 90 C PTH 1 64.32 66.79 34.4 0.00 0.00
91
+ ATOM 91 C PTH 1 64.32 66.79 35.4 0.00 0.00
92
+ ATOM 92 C PTH 1 64.32 67.79 31.4 0.00 0.00
93
+ ATOM 93 C PTH 1 64.32 67.79 32.4 0.00 0.00
94
+ ATOM 94 C PTH 1 64.32 67.79 33.4 0.00 0.00
95
+ ATOM 95 C PTH 1 64.32 67.79 34.4 0.00 0.00
96
+ ATOM 96 C PTH 1 64.32 67.79 35.4 0.00 0.00
97
+ ATOM 97 C PTH 1 64.32 68.79 30.4 0.00 0.00
98
+ ATOM 98 C PTH 1 64.32 68.79 31.4 0.00 0.00
99
+ ATOM 99 C PTH 1 64.32 68.79 32.4 0.00 0.00
100
+ ATOM 100 C PTH 1 64.32 68.79 33.4 0.00 0.00
101
+ ATOM 101 C PTH 1 64.32 68.79 34.4 0.00 0.00
102
+ ATOM 102 C PTH 1 64.32 68.79 35.4 0.00 0.00
103
+ ATOM 103 C PTH 1 64.32 69.79 30.4 0.00 0.00
104
+ ATOM 104 C PTH 1 64.32 69.79 31.4 0.00 0.00
105
+ ATOM 105 C PTH 1 64.32 69.79 32.4 0.00 0.00
106
+ ATOM 106 C PTH 1 64.32 69.79 33.4 0.00 0.00
107
+ ATOM 107 C PTH 1 64.32 69.79 34.4 0.00 0.00
108
+ ATOM 108 C PTH 1 64.32 69.79 35.4 0.00 0.00
109
+ ATOM 109 C PTH 1 64.32 70.79 30.4 0.00 0.00
110
+ ATOM 110 C PTH 1 64.32 70.79 31.4 0.00 0.00
111
+ ATOM 111 C PTH 1 64.32 70.79 32.4 0.00 0.00
112
+ ATOM 112 C PTH 1 64.32 70.79 33.4 0.00 0.00
113
+ ATOM 113 C PTH 1 64.32 70.79 34.4 0.00 0.00
114
+ ATOM 114 C PTH 1 64.32 70.79 35.4 0.00 0.00
115
+ ATOM 115 C PTH 1 64.32 71.79 30.4 0.00 0.00
116
+ ATOM 116 C PTH 1 64.32 71.79 31.4 0.00 0.00
117
+ ATOM 117 C PTH 1 64.32 71.79 32.4 0.00 0.00
118
+ ATOM 118 C PTH 1 64.32 71.79 33.4 0.00 0.00
119
+ ATOM 119 C PTH 1 64.32 71.79 34.4 0.00 0.00
120
+ ATOM 120 C PTH 1 64.32 72.79 32.4 0.00 0.00
121
+ ATOM 121 C PTH 1 64.32 72.79 33.4 0.00 0.00
122
+ ATOM 122 C PTH 1 65.32 65.79 33.4 0.00 0.00
123
+ ATOM 123 C PTH 1 65.32 65.79 34.4 0.00 0.00
124
+ ATOM 124 C PTH 1 65.32 66.79 32.4 0.00 0.00
125
+ ATOM 125 C PTH 1 65.32 66.79 33.4 0.00 0.00
126
+ ATOM 126 C PTH 1 65.32 66.79 34.4 0.00 0.00
127
+ ATOM 127 C PTH 1 65.32 66.79 35.4 0.00 0.00
128
+ ATOM 128 C PTH 1 65.32 67.79 31.4 0.00 0.00
129
+ ATOM 129 C PTH 1 65.32 67.79 32.4 0.00 0.00
130
+ ATOM 130 C PTH 1 65.32 67.79 33.4 0.00 0.00
131
+ ATOM 131 C PTH 1 65.32 67.79 34.4 0.00 0.00
132
+ ATOM 132 C PTH 1 65.32 67.79 35.4 0.00 0.00
133
+ ATOM 133 C PTH 1 65.32 68.79 31.4 0.00 0.00
134
+ ATOM 134 C PTH 1 65.32 68.79 32.4 0.00 0.00
135
+ ATOM 135 C PTH 1 65.32 68.79 33.4 0.00 0.00
136
+ ATOM 136 C PTH 1 65.32 68.79 34.4 0.00 0.00
137
+ ATOM 137 C PTH 1 65.32 68.79 35.4 0.00 0.00
138
+ ATOM 138 C PTH 1 65.32 69.79 30.4 0.00 0.00
139
+ ATOM 139 C PTH 1 65.32 69.79 31.4 0.00 0.00
140
+ ATOM 140 C PTH 1 65.32 69.79 32.4 0.00 0.00
141
+ ATOM 141 C PTH 1 65.32 69.79 33.4 0.00 0.00
142
+ ATOM 142 C PTH 1 65.32 69.79 34.4 0.00 0.00
143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
+ ATOM 159 C PTH 1 66.32 70.79 33.4 0.00 0.00
160
+ ATOM 160 C PTH 1 66.32 70.79 34.4 0.00 0.00
data/files/A001T/pocket_09.pdb ADDED
@@ -0,0 +1,155 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 65.32 109.79 42.4 0.00 0.00
2
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3
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4
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5
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7
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8
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9
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11
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12
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13
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14
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15
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16
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17
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18
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19
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20
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21
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22
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23
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24
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25
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26
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27
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28
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29
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30
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31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
+ ATOM 79 C PTH 1 69.32 111.79 44.4 0.00 0.00
80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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