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Dyna_Repo_Inria_MDPosit_Files

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Token Classification
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10K<n<100K
Tags:
chemistry
biology
medical
Synthetic
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186
+ ATOM 186 C PTH 1 46.67 89.24 38.89 0.00 0.00
187
+ ATOM 187 C PTH 1 46.67 89.24 39.89 0.00 0.00
188
+ ATOM 188 C PTH 1 46.67 89.24 40.89 0.00 0.00
189
+ ATOM 189 C PTH 1 46.67 89.24 41.89 0.00 0.00
190
+ ATOM 190 C PTH 1 46.67 89.24 42.89 0.00 0.00
191
+ ATOM 191 C PTH 1 46.67 89.24 43.89 0.00 0.00
192
+ ATOM 192 C PTH 1 46.67 89.24 44.89 0.00 0.00
193
+ ATOM 193 C PTH 1 47.67 82.24 41.89 0.00 0.00
194
+ ATOM 194 C PTH 1 47.67 82.24 42.89 0.00 0.00
195
+ ATOM 195 C PTH 1 47.67 82.24 43.89 0.00 0.00
196
+ ATOM 196 C PTH 1 47.67 82.24 44.89 0.00 0.00
197
+ ATOM 197 C PTH 1 47.67 83.24 40.89 0.00 0.00
198
+ ATOM 198 C PTH 1 47.67 83.24 41.89 0.00 0.00
199
+ ATOM 199 C PTH 1 47.67 83.24 42.89 0.00 0.00
200
+ ATOM 200 C PTH 1 47.67 83.24 43.89 0.00 0.00
201
+ ATOM 201 C PTH 1 47.67 83.24 44.89 0.00 0.00
202
+ ATOM 202 C PTH 1 47.67 84.24 40.89 0.00 0.00
203
+ ATOM 203 C PTH 1 47.67 84.24 41.89 0.00 0.00
204
+ ATOM 204 C PTH 1 47.67 84.24 42.89 0.00 0.00
205
+ ATOM 205 C PTH 1 47.67 84.24 43.89 0.00 0.00
206
+ ATOM 206 C PTH 1 47.67 84.24 44.89 0.00 0.00
207
+ ATOM 207 C PTH 1 47.67 85.24 39.89 0.00 0.00
208
+ ATOM 208 C PTH 1 47.67 85.24 40.89 0.00 0.00
209
+ ATOM 209 C PTH 1 47.67 85.24 41.89 0.00 0.00
210
+ ATOM 210 C PTH 1 47.67 85.24 42.89 0.00 0.00
211
+ ATOM 211 C PTH 1 47.67 85.24 43.89 0.00 0.00
212
+ ATOM 212 C PTH 1 47.67 85.24 44.89 0.00 0.00
213
+ ATOM 213 C PTH 1 47.67 85.24 45.89 0.00 0.00
214
+ ATOM 214 C PTH 1 47.67 86.24 37.89 0.00 0.00
215
+ ATOM 215 C PTH 1 47.67 86.24 38.89 0.00 0.00
216
+ ATOM 216 C PTH 1 47.67 86.24 39.89 0.00 0.00
217
+ ATOM 217 C PTH 1 47.67 86.24 40.89 0.00 0.00
218
+ ATOM 218 C PTH 1 47.67 86.24 41.89 0.00 0.00
219
+ ATOM 219 C PTH 1 47.67 86.24 42.89 0.00 0.00
220
+ ATOM 220 C PTH 1 47.67 86.24 43.89 0.00 0.00
221
+ ATOM 221 C PTH 1 47.67 86.24 44.89 0.00 0.00
222
+ ATOM 222 C PTH 1 47.67 86.24 45.89 0.00 0.00
223
+ ATOM 223 C PTH 1 47.67 86.24 46.89 0.00 0.00
224
+ ATOM 224 C PTH 1 47.67 87.24 37.89 0.00 0.00
225
+ ATOM 225 C PTH 1 47.67 87.24 38.89 0.00 0.00
226
+ ATOM 226 C PTH 1 47.67 87.24 39.89 0.00 0.00
227
+ ATOM 227 C PTH 1 47.67 87.24 40.89 0.00 0.00
228
+ ATOM 228 C PTH 1 47.67 87.24 41.89 0.00 0.00
229
+ ATOM 229 C PTH 1 47.67 87.24 42.89 0.00 0.00
230
+ ATOM 230 C PTH 1 47.67 87.24 43.89 0.00 0.00
231
+ ATOM 231 C PTH 1 47.67 87.24 44.89 0.00 0.00
232
+ ATOM 232 C PTH 1 47.67 87.24 45.89 0.00 0.00
233
+ ATOM 233 C PTH 1 47.67 87.24 46.89 0.00 0.00
234
+ ATOM 234 C PTH 1 47.67 88.24 37.89 0.00 0.00
235
+ ATOM 235 C PTH 1 47.67 88.24 38.89 0.00 0.00
236
+ ATOM 236 C PTH 1 47.67 88.24 39.89 0.00 0.00
237
+ ATOM 237 C PTH 1 47.67 88.24 40.89 0.00 0.00
238
+ ATOM 238 C PTH 1 47.67 88.24 41.89 0.00 0.00
239
+ ATOM 239 C PTH 1 47.67 88.24 42.89 0.00 0.00
240
+ ATOM 240 C PTH 1 47.67 88.24 43.89 0.00 0.00
241
+ ATOM 241 C PTH 1 47.67 88.24 44.89 0.00 0.00
242
+ ATOM 242 C PTH 1 47.67 88.24 45.89 0.00 0.00
243
+ ATOM 243 C PTH 1 47.67 88.24 46.89 0.00 0.00
244
+ ATOM 244 C PTH 1 47.67 89.24 37.89 0.00 0.00
245
+ ATOM 245 C PTH 1 47.67 89.24 38.89 0.00 0.00
246
+ ATOM 246 C PTH 1 47.67 89.24 39.89 0.00 0.00
247
+ ATOM 247 C PTH 1 47.67 89.24 40.89 0.00 0.00
248
+ ATOM 248 C PTH 1 47.67 89.24 41.89 0.00 0.00
249
+ ATOM 249 C PTH 1 47.67 89.24 42.89 0.00 0.00
250
+ ATOM 250 C PTH 1 47.67 89.24 43.89 0.00 0.00
251
+ ATOM 251 C PTH 1 47.67 89.24 44.89 0.00 0.00
252
+ ATOM 252 C PTH 1 47.67 89.24 45.89 0.00 0.00
253
+ ATOM 253 C PTH 1 47.67 90.24 37.89 0.00 0.00
254
+ ATOM 254 C PTH 1 47.67 90.24 38.89 0.00 0.00
255
+ ATOM 255 C PTH 1 47.67 90.24 39.89 0.00 0.00
256
+ ATOM 256 C PTH 1 48.67 83.24 40.89 0.00 0.00
257
+ ATOM 257 C PTH 1 48.67 83.24 41.89 0.00 0.00
258
+ ATOM 258 C PTH 1 48.67 83.24 42.89 0.00 0.00
259
+ ATOM 259 C PTH 1 48.67 84.24 39.89 0.00 0.00
260
+ ATOM 260 C PTH 1 48.67 84.24 40.89 0.00 0.00
261
+ ATOM 261 C PTH 1 48.67 84.24 41.89 0.00 0.00
262
+ ATOM 262 C PTH 1 48.67 84.24 42.89 0.00 0.00
263
+ ATOM 263 C PTH 1 48.67 85.24 36.89 0.00 0.00
264
+ ATOM 264 C PTH 1 48.67 85.24 37.89 0.00 0.00
265
+ ATOM 265 C PTH 1 48.67 85.24 38.89 0.00 0.00
266
+ ATOM 266 C PTH 1 48.67 85.24 39.89 0.00 0.00
267
+ ATOM 267 C PTH 1 48.67 85.24 40.89 0.00 0.00
268
+ ATOM 268 C PTH 1 48.67 85.24 41.89 0.00 0.00
269
+ ATOM 269 C PTH 1 48.67 85.24 42.89 0.00 0.00
270
+ ATOM 270 C PTH 1 48.67 85.24 43.89 0.00 0.00
271
+ ATOM 271 C PTH 1 48.67 86.24 36.89 0.00 0.00
272
+ ATOM 272 C PTH 1 48.67 86.24 37.89 0.00 0.00
273
+ ATOM 273 C PTH 1 48.67 86.24 38.89 0.00 0.00
274
+ ATOM 274 C PTH 1 48.67 86.24 39.89 0.00 0.00
275
+ ATOM 275 C PTH 1 48.67 86.24 40.89 0.00 0.00
276
+ ATOM 276 C PTH 1 48.67 86.24 41.89 0.00 0.00
277
+ ATOM 277 C PTH 1 48.67 86.24 42.89 0.00 0.00
278
+ ATOM 278 C PTH 1 48.67 86.24 43.89 0.00 0.00
279
+ ATOM 279 C PTH 1 48.67 86.24 44.89 0.00 0.00
280
+ ATOM 280 C PTH 1 48.67 87.24 36.89 0.00 0.00
281
+ ATOM 281 C PTH 1 48.67 87.24 37.89 0.00 0.00
282
+ ATOM 282 C PTH 1 48.67 87.24 38.89 0.00 0.00
283
+ ATOM 283 C PTH 1 48.67 87.24 39.89 0.00 0.00
284
+ ATOM 284 C PTH 1 48.67 87.24 40.89 0.00 0.00
285
+ ATOM 285 C PTH 1 48.67 87.24 41.89 0.00 0.00
286
+ ATOM 286 C PTH 1 48.67 87.24 42.89 0.00 0.00
287
+ ATOM 287 C PTH 1 48.67 87.24 43.89 0.00 0.00
288
+ ATOM 288 C PTH 1 48.67 87.24 44.89 0.00 0.00
289
+ ATOM 289 C PTH 1 48.67 87.24 45.89 0.00 0.00
290
+ ATOM 290 C PTH 1 48.67 87.24 46.89 0.00 0.00
291
+ ATOM 291 C PTH 1 48.67 88.24 37.89 0.00 0.00
292
+ ATOM 292 C PTH 1 48.67 88.24 38.89 0.00 0.00
293
+ ATOM 293 C PTH 1 48.67 88.24 39.89 0.00 0.00
294
+ ATOM 294 C PTH 1 48.67 88.24 40.89 0.00 0.00
295
+ ATOM 295 C PTH 1 48.67 88.24 41.89 0.00 0.00
296
+ ATOM 296 C PTH 1 48.67 88.24 42.89 0.00 0.00
297
+ ATOM 297 C PTH 1 48.67 88.24 43.89 0.00 0.00
298
+ ATOM 298 C PTH 1 48.67 88.24 44.89 0.00 0.00
299
+ ATOM 299 C PTH 1 48.67 88.24 45.89 0.00 0.00
300
+ ATOM 300 C PTH 1 48.67 88.24 46.89 0.00 0.00
301
+ ATOM 301 C PTH 1 48.67 89.24 37.89 0.00 0.00
302
+ ATOM 302 C PTH 1 48.67 89.24 38.89 0.00 0.00
303
+ ATOM 303 C PTH 1 48.67 89.24 39.89 0.00 0.00
304
+ ATOM 304 C PTH 1 48.67 89.24 40.89 0.00 0.00
305
+ ATOM 305 C PTH 1 48.67 89.24 41.89 0.00 0.00
306
+ ATOM 306 C PTH 1 48.67 89.24 42.89 0.00 0.00
307
+ ATOM 307 C PTH 1 48.67 89.24 43.89 0.00 0.00
308
+ ATOM 308 C PTH 1 48.67 89.24 44.89 0.00 0.00
309
+ ATOM 309 C PTH 1 48.67 89.24 45.89 0.00 0.00
310
+ ATOM 310 C PTH 1 48.67 90.24 37.89 0.00 0.00
311
+ ATOM 311 C PTH 1 48.67 90.24 38.89 0.00 0.00
312
+ ATOM 312 C PTH 1 48.67 90.24 39.89 0.00 0.00
313
+ ATOM 313 C PTH 1 48.67 90.24 40.89 0.00 0.00
314
+ ATOM 314 C PTH 1 49.67 83.24 36.89 0.00 0.00
315
+ ATOM 315 C PTH 1 49.67 83.24 37.89 0.00 0.00
316
+ ATOM 316 C PTH 1 49.67 83.24 38.89 0.00 0.00
317
+ ATOM 317 C PTH 1 49.67 83.24 39.89 0.00 0.00
318
+ ATOM 318 C PTH 1 49.67 83.24 40.89 0.00 0.00
319
+ ATOM 319 C PTH 1 49.67 83.24 41.89 0.00 0.00
320
+ ATOM 320 C PTH 1 49.67 84.24 34.89 0.00 0.00
321
+ ATOM 321 C PTH 1 49.67 84.24 35.89 0.00 0.00
322
+ ATOM 322 C PTH 1 49.67 84.24 36.89 0.00 0.00
323
+ ATOM 323 C PTH 1 49.67 84.24 37.89 0.00 0.00
324
+ ATOM 324 C PTH 1 49.67 84.24 38.89 0.00 0.00
325
+ ATOM 325 C PTH 1 49.67 84.24 39.89 0.00 0.00
326
+ ATOM 326 C PTH 1 49.67 84.24 40.89 0.00 0.00
327
+ ATOM 327 C PTH 1 49.67 84.24 41.89 0.00 0.00
328
+ ATOM 328 C PTH 1 49.67 84.24 42.89 0.00 0.00
329
+ ATOM 329 C PTH 1 49.67 85.24 34.89 0.00 0.00
330
+ ATOM 330 C PTH 1 49.67 85.24 35.89 0.00 0.00
331
+ ATOM 331 C PTH 1 49.67 85.24 36.89 0.00 0.00
332
+ ATOM 332 C PTH 1 49.67 85.24 37.89 0.00 0.00
333
+ ATOM 333 C PTH 1 49.67 85.24 38.89 0.00 0.00
334
+ ATOM 334 C PTH 1 49.67 85.24 39.89 0.00 0.00
335
+ ATOM 335 C PTH 1 49.67 85.24 40.89 0.00 0.00
336
+ ATOM 336 C PTH 1 49.67 85.24 41.89 0.00 0.00
337
+ ATOM 337 C PTH 1 49.67 85.24 42.89 0.00 0.00
338
+ ATOM 338 C PTH 1 49.67 85.24 43.89 0.00 0.00
339
+ ATOM 339 C PTH 1 49.67 86.24 34.89 0.00 0.00
340
+ ATOM 340 C PTH 1 49.67 86.24 35.89 0.00 0.00
341
+ ATOM 341 C PTH 1 49.67 86.24 36.89 0.00 0.00
342
+ ATOM 342 C PTH 1 49.67 86.24 37.89 0.00 0.00
343
+ ATOM 343 C PTH 1 49.67 86.24 38.89 0.00 0.00
344
+ ATOM 344 C PTH 1 49.67 86.24 39.89 0.00 0.00
345
+ ATOM 345 C PTH 1 49.67 86.24 40.89 0.00 0.00
346
+ ATOM 346 C PTH 1 49.67 86.24 41.89 0.00 0.00
347
+ ATOM 347 C PTH 1 49.67 86.24 42.89 0.00 0.00
348
+ ATOM 348 C PTH 1 49.67 86.24 43.89 0.00 0.00
349
+ ATOM 349 C PTH 1 49.67 86.24 44.89 0.00 0.00
350
+ ATOM 350 C PTH 1 49.67 87.24 36.89 0.00 0.00
351
+ ATOM 351 C PTH 1 49.67 87.24 37.89 0.00 0.00
352
+ ATOM 352 C PTH 1 49.67 87.24 38.89 0.00 0.00
353
+ ATOM 353 C PTH 1 49.67 87.24 39.89 0.00 0.00
354
+ ATOM 354 C PTH 1 49.67 87.24 40.89 0.00 0.00
355
+ ATOM 355 C PTH 1 49.67 87.24 41.89 0.00 0.00
356
+ ATOM 356 C PTH 1 49.67 87.24 42.89 0.00 0.00
357
+ ATOM 357 C PTH 1 49.67 87.24 43.89 0.00 0.00
358
+ ATOM 358 C PTH 1 49.67 87.24 44.89 0.00 0.00
359
+ ATOM 359 C PTH 1 49.67 87.24 45.89 0.00 0.00
360
+ ATOM 360 C PTH 1 49.67 88.24 37.89 0.00 0.00
361
+ ATOM 361 C PTH 1 49.67 88.24 38.89 0.00 0.00
362
+ ATOM 362 C PTH 1 49.67 88.24 39.89 0.00 0.00
363
+ ATOM 363 C PTH 1 49.67 88.24 40.89 0.00 0.00
364
+ ATOM 364 C PTH 1 49.67 88.24 41.89 0.00 0.00
365
+ ATOM 365 C PTH 1 49.67 88.24 42.89 0.00 0.00
366
+ ATOM 366 C PTH 1 49.67 88.24 43.89 0.00 0.00
367
+ ATOM 367 C PTH 1 49.67 88.24 44.89 0.00 0.00
368
+ ATOM 368 C PTH 1 49.67 88.24 45.89 0.00 0.00
369
+ ATOM 369 C PTH 1 49.67 88.24 46.89 0.00 0.00
370
+ ATOM 370 C PTH 1 49.67 89.24 37.89 0.00 0.00
371
+ ATOM 371 C PTH 1 49.67 89.24 38.89 0.00 0.00
372
+ ATOM 372 C PTH 1 49.67 89.24 39.89 0.00 0.00
373
+ ATOM 373 C PTH 1 49.67 89.24 40.89 0.00 0.00
374
+ ATOM 374 C PTH 1 49.67 89.24 41.89 0.00 0.00
375
+ ATOM 375 C PTH 1 49.67 89.24 42.89 0.00 0.00
376
+ ATOM 376 C PTH 1 49.67 89.24 43.89 0.00 0.00
377
+ ATOM 377 C PTH 1 49.67 89.24 44.89 0.00 0.00
378
+ ATOM 378 C PTH 1 49.67 89.24 45.89 0.00 0.00
379
+ ATOM 379 C PTH 1 49.67 90.24 38.89 0.00 0.00
380
+ ATOM 380 C PTH 1 49.67 90.24 39.89 0.00 0.00
381
+ ATOM 381 C PTH 1 49.67 90.24 40.89 0.00 0.00
382
+ ATOM 382 C PTH 1 49.67 90.24 41.89 0.00 0.00
383
+ ATOM 383 C PTH 1 49.67 90.24 42.89 0.00 0.00
384
+ ATOM 384 C PTH 1 49.67 90.24 43.89 0.00 0.00
385
+ ATOM 385 C PTH 1 49.67 90.24 44.89 0.00 0.00
386
+ ATOM 386 C PTH 1 50.67 82.24 37.89 0.00 0.00
387
+ ATOM 387 C PTH 1 50.67 82.24 38.89 0.00 0.00
388
+ ATOM 388 C PTH 1 50.67 82.24 39.89 0.00 0.00
389
+ ATOM 389 C PTH 1 50.67 83.24 36.89 0.00 0.00
390
+ ATOM 390 C PTH 1 50.67 83.24 37.89 0.00 0.00
391
+ ATOM 391 C PTH 1 50.67 83.24 38.89 0.00 0.00
392
+ ATOM 392 C PTH 1 50.67 83.24 39.89 0.00 0.00
393
+ ATOM 393 C PTH 1 50.67 83.24 40.89 0.00 0.00
394
+ ATOM 394 C PTH 1 50.67 83.24 41.89 0.00 0.00
395
+ ATOM 395 C PTH 1 50.67 84.24 34.89 0.00 0.00
396
+ ATOM 396 C PTH 1 50.67 84.24 35.89 0.00 0.00
397
+ ATOM 397 C PTH 1 50.67 84.24 36.89 0.00 0.00
398
+ ATOM 398 C PTH 1 50.67 84.24 37.89 0.00 0.00
399
+ ATOM 399 C PTH 1 50.67 84.24 38.89 0.00 0.00
400
+ ATOM 400 C PTH 1 50.67 84.24 39.89 0.00 0.00
401
+ ATOM 401 C PTH 1 50.67 84.24 40.89 0.00 0.00
402
+ ATOM 402 C PTH 1 50.67 84.24 41.89 0.00 0.00
403
+ ATOM 403 C PTH 1 50.67 84.24 42.89 0.00 0.00
404
+ ATOM 404 C PTH 1 50.67 85.24 34.89 0.00 0.00
405
+ ATOM 405 C PTH 1 50.67 85.24 35.89 0.00 0.00
406
+ ATOM 406 C PTH 1 50.67 85.24 36.89 0.00 0.00
407
+ ATOM 407 C PTH 1 50.67 85.24 37.89 0.00 0.00
408
+ ATOM 408 C PTH 1 50.67 85.24 38.89 0.00 0.00
409
+ ATOM 409 C PTH 1 50.67 85.24 39.89 0.00 0.00
410
+ ATOM 410 C PTH 1 50.67 85.24 40.89 0.00 0.00
411
+ ATOM 411 C PTH 1 50.67 85.24 41.89 0.00 0.00
412
+ ATOM 412 C PTH 1 50.67 85.24 42.89 0.00 0.00
413
+ ATOM 413 C PTH 1 50.67 86.24 34.89 0.00 0.00
414
+ ATOM 414 C PTH 1 50.67 86.24 35.89 0.00 0.00
415
+ ATOM 415 C PTH 1 50.67 86.24 36.89 0.00 0.00
416
+ ATOM 416 C PTH 1 50.67 86.24 37.89 0.00 0.00
417
+ ATOM 417 C PTH 1 50.67 86.24 38.89 0.00 0.00
418
+ ATOM 418 C PTH 1 50.67 86.24 39.89 0.00 0.00
419
+ ATOM 419 C PTH 1 50.67 86.24 40.89 0.00 0.00
420
+ ATOM 420 C PTH 1 50.67 86.24 41.89 0.00 0.00
421
+ ATOM 421 C PTH 1 50.67 86.24 42.89 0.00 0.00
422
+ ATOM 422 C PTH 1 50.67 86.24 43.89 0.00 0.00
423
+ ATOM 423 C PTH 1 50.67 87.24 35.89 0.00 0.00
424
+ ATOM 424 C PTH 1 50.67 87.24 36.89 0.00 0.00
425
+ ATOM 425 C PTH 1 50.67 87.24 37.89 0.00 0.00
426
+ ATOM 426 C PTH 1 50.67 87.24 38.89 0.00 0.00
427
+ ATOM 427 C PTH 1 50.67 87.24 39.89 0.00 0.00
428
+ ATOM 428 C PTH 1 50.67 87.24 40.89 0.00 0.00
429
+ ATOM 429 C PTH 1 50.67 87.24 41.89 0.00 0.00
430
+ ATOM 430 C PTH 1 50.67 87.24 42.89 0.00 0.00
431
+ ATOM 431 C PTH 1 50.67 87.24 43.89 0.00 0.00
432
+ ATOM 432 C PTH 1 50.67 87.24 44.89 0.00 0.00
433
+ ATOM 433 C PTH 1 50.67 87.24 45.89 0.00 0.00
434
+ ATOM 434 C PTH 1 50.67 88.24 37.89 0.00 0.00
435
+ ATOM 435 C PTH 1 50.67 88.24 38.89 0.00 0.00
436
+ ATOM 436 C PTH 1 50.67 88.24 39.89 0.00 0.00
437
+ ATOM 437 C PTH 1 50.67 88.24 40.89 0.00 0.00
438
+ ATOM 438 C PTH 1 50.67 88.24 41.89 0.00 0.00
439
+ ATOM 439 C PTH 1 50.67 88.24 42.89 0.00 0.00
440
+ ATOM 440 C PTH 1 50.67 88.24 43.89 0.00 0.00
441
+ ATOM 441 C PTH 1 50.67 88.24 44.89 0.00 0.00
442
+ ATOM 442 C PTH 1 50.67 88.24 45.89 0.00 0.00
443
+ ATOM 443 C PTH 1 50.67 88.24 46.89 0.00 0.00
444
+ ATOM 444 C PTH 1 50.67 89.24 37.89 0.00 0.00
445
+ ATOM 445 C PTH 1 50.67 89.24 38.89 0.00 0.00
446
+ ATOM 446 C PTH 1 50.67 89.24 39.89 0.00 0.00
447
+ ATOM 447 C PTH 1 50.67 89.24 40.89 0.00 0.00
448
+ ATOM 448 C PTH 1 50.67 89.24 41.89 0.00 0.00
449
+ ATOM 449 C PTH 1 50.67 89.24 42.89 0.00 0.00
450
+ ATOM 450 C PTH 1 50.67 89.24 43.89 0.00 0.00
451
+ ATOM 451 C PTH 1 50.67 89.24 44.89 0.00 0.00
452
+ ATOM 452 C PTH 1 50.67 89.24 45.89 0.00 0.00
453
+ ATOM 453 C PTH 1 50.67 90.24 40.89 0.00 0.00
454
+ ATOM 454 C PTH 1 50.67 90.24 41.89 0.00 0.00
455
+ ATOM 455 C PTH 1 50.67 90.24 42.89 0.00 0.00
456
+ ATOM 456 C PTH 1 50.67 90.24 43.89 0.00 0.00
457
+ ATOM 457 C PTH 1 50.67 90.24 44.89 0.00 0.00
458
+ ATOM 458 C PTH 1 51.67 82.24 37.89 0.00 0.00
459
+ ATOM 459 C PTH 1 51.67 82.24 38.89 0.00 0.00
460
+ ATOM 460 C PTH 1 51.67 82.24 39.89 0.00 0.00
461
+ ATOM 461 C PTH 1 51.67 83.24 36.89 0.00 0.00
462
+ ATOM 462 C PTH 1 51.67 83.24 37.89 0.00 0.00
463
+ ATOM 463 C PTH 1 51.67 83.24 38.89 0.00 0.00
464
+ ATOM 464 C PTH 1 51.67 83.24 39.89 0.00 0.00
465
+ ATOM 465 C PTH 1 51.67 83.24 40.89 0.00 0.00
466
+ ATOM 466 C PTH 1 51.67 83.24 41.89 0.00 0.00
467
+ ATOM 467 C PTH 1 51.67 84.24 35.89 0.00 0.00
468
+ ATOM 468 C PTH 1 51.67 84.24 36.89 0.00 0.00
469
+ ATOM 469 C PTH 1 51.67 84.24 37.89 0.00 0.00
470
+ ATOM 470 C PTH 1 51.67 84.24 38.89 0.00 0.00
471
+ ATOM 471 C PTH 1 51.67 84.24 39.89 0.00 0.00
472
+ ATOM 472 C PTH 1 51.67 84.24 40.89 0.00 0.00
473
+ ATOM 473 C PTH 1 51.67 84.24 41.89 0.00 0.00
474
+ ATOM 474 C PTH 1 51.67 85.24 34.89 0.00 0.00
475
+ ATOM 475 C PTH 1 51.67 85.24 35.89 0.00 0.00
476
+ ATOM 476 C PTH 1 51.67 85.24 36.89 0.00 0.00
477
+ ATOM 477 C PTH 1 51.67 85.24 37.89 0.00 0.00
478
+ ATOM 478 C PTH 1 51.67 85.24 38.89 0.00 0.00
479
+ ATOM 479 C PTH 1 51.67 85.24 39.89 0.00 0.00
480
+ ATOM 480 C PTH 1 51.67 85.24 40.89 0.00 0.00
481
+ ATOM 481 C PTH 1 51.67 85.24 41.89 0.00 0.00
482
+ ATOM 482 C PTH 1 51.67 85.24 42.89 0.00 0.00
483
+ ATOM 483 C PTH 1 51.67 86.24 34.89 0.00 0.00
484
+ ATOM 484 C PTH 1 51.67 86.24 35.89 0.00 0.00
485
+ ATOM 485 C PTH 1 51.67 86.24 36.89 0.00 0.00
486
+ ATOM 486 C PTH 1 51.67 86.24 37.89 0.00 0.00
487
+ ATOM 487 C PTH 1 51.67 86.24 38.89 0.00 0.00
488
+ ATOM 488 C PTH 1 51.67 86.24 39.89 0.00 0.00
489
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490
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491
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492
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493
+ ATOM 493 C PTH 1 51.67 87.24 35.89 0.00 0.00
494
+ ATOM 494 C PTH 1 51.67 87.24 36.89 0.00 0.00
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
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501
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502
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503
+ ATOM 503 C PTH 1 51.67 88.24 37.89 0.00 0.00
504
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505
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506
+ ATOM 506 C PTH 1 51.67 88.24 40.89 0.00 0.00
507
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508
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509
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510
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511
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512
+ ATOM 512 C PTH 1 51.67 89.24 37.89 0.00 0.00
513
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514
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515
+ ATOM 515 C PTH 1 51.67 89.24 40.89 0.00 0.00
516
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517
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518
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519
+ ATOM 519 C PTH 1 51.67 89.24 44.89 0.00 0.00
520
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521
+ ATOM 521 C PTH 1 51.67 90.24 40.89 0.00 0.00
522
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523
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524
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525
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526
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527
+ ATOM 527 C PTH 1 52.67 82.24 38.89 0.00 0.00
528
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529
+ ATOM 529 C PTH 1 52.67 83.24 37.89 0.00 0.00
530
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531
+ ATOM 531 C PTH 1 52.67 83.24 39.89 0.00 0.00
532
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533
+ ATOM 533 C PTH 1 52.67 84.24 35.89 0.00 0.00
534
+ ATOM 534 C PTH 1 52.67 84.24 36.89 0.00 0.00
535
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536
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537
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538
+ ATOM 538 C PTH 1 52.67 84.24 40.89 0.00 0.00
539
+ ATOM 539 C PTH 1 52.67 84.24 41.89 0.00 0.00
540
+ ATOM 540 C PTH 1 52.67 85.24 35.89 0.00 0.00
541
+ ATOM 541 C PTH 1 52.67 85.24 36.89 0.00 0.00
542
+ ATOM 542 C PTH 1 52.67 85.24 37.89 0.00 0.00
543
+ ATOM 543 C PTH 1 52.67 85.24 38.89 0.00 0.00
544
+ ATOM 544 C PTH 1 52.67 85.24 39.89 0.00 0.00
545
+ ATOM 545 C PTH 1 52.67 85.24 40.89 0.00 0.00
546
+ ATOM 546 C PTH 1 52.67 85.24 41.89 0.00 0.00
547
+ ATOM 547 C PTH 1 52.67 85.24 42.89 0.00 0.00
548
+ ATOM 548 C PTH 1 52.67 86.24 35.89 0.00 0.00
549
+ ATOM 549 C PTH 1 52.67 86.24 36.89 0.00 0.00
550
+ ATOM 550 C PTH 1 52.67 86.24 37.89 0.00 0.00
551
+ ATOM 551 C PTH 1 52.67 86.24 38.89 0.00 0.00
552
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553
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554
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555
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556
+ ATOM 556 C PTH 1 52.67 87.24 35.89 0.00 0.00
557
+ ATOM 557 C PTH 1 52.67 87.24 36.89 0.00 0.00
558
+ ATOM 558 C PTH 1 52.67 87.24 37.89 0.00 0.00
559
+ ATOM 559 C PTH 1 52.67 87.24 38.89 0.00 0.00
560
+ ATOM 560 C PTH 1 52.67 87.24 39.89 0.00 0.00
561
+ ATOM 561 C PTH 1 52.67 87.24 40.89 0.00 0.00
562
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563
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564
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565
+ ATOM 565 C PTH 1 52.67 88.24 37.89 0.00 0.00
566
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567
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568
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569
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570
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571
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572
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573
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574
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575
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576
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577
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578
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579
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580
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581
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582
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583
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584
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585
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586
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587
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588
+ ATOM 588 C PTH 1 53.67 86.24 39.89 0.00 0.00
589
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590
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591
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592
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593
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594
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595
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596
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597
+ ATOM 597 C PTH 1 53.67 88.24 40.89 0.00 0.00
598
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599
+ ATOM 599 C PTH 1 53.67 88.24 42.89 0.00 0.00
600
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601
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602
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603
+ ATOM 603 C PTH 1 53.67 89.24 41.89 0.00 0.00
604
+ ATOM 604 C PTH 1 53.67 89.24 42.89 0.00 0.00
605
+ ATOM 605 C PTH 1 53.67 89.24 43.89 0.00 0.00
606
+ ATOM 606 C PTH 1 53.67 90.24 42.89 0.00 0.00
607
+ ATOM 607 C PTH 1 53.67 90.24 43.89 0.00 0.00
608
+ ATOM 608 C PTH 1 54.67 88.24 40.89 0.00 0.00
data/files/A000C/pocket_02.pdb ADDED
@@ -0,0 +1,260 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 40.67 81.24 23.89 0.00 0.00
2
+ ATOM 2 C PTH 1 40.67 81.24 24.89 0.00 0.00
3
+ ATOM 3 C PTH 1 40.67 81.24 25.89 0.00 0.00
4
+ ATOM 4 C PTH 1 40.67 82.24 22.89 0.00 0.00
5
+ ATOM 5 C PTH 1 40.67 82.24 23.89 0.00 0.00
6
+ ATOM 6 C PTH 1 40.67 82.24 24.89 0.00 0.00
7
+ ATOM 7 C PTH 1 40.67 82.24 25.89 0.00 0.00
8
+ ATOM 8 C PTH 1 40.67 83.24 22.89 0.00 0.00
9
+ ATOM 9 C PTH 1 40.67 83.24 23.89 0.00 0.00
10
+ ATOM 10 C PTH 1 40.67 83.24 24.89 0.00 0.00
11
+ ATOM 11 C PTH 1 40.67 83.24 25.89 0.00 0.00
12
+ ATOM 12 C PTH 1 41.67 81.24 23.89 0.00 0.00
13
+ ATOM 13 C PTH 1 41.67 81.24 24.89 0.00 0.00
14
+ ATOM 14 C PTH 1 41.67 81.24 25.89 0.00 0.00
15
+ ATOM 15 C PTH 1 41.67 82.24 22.89 0.00 0.00
16
+ ATOM 16 C PTH 1 41.67 82.24 23.89 0.00 0.00
17
+ ATOM 17 C PTH 1 41.67 82.24 24.89 0.00 0.00
18
+ ATOM 18 C PTH 1 41.67 82.24 25.89 0.00 0.00
19
+ ATOM 19 C PTH 1 41.67 83.24 22.89 0.00 0.00
20
+ ATOM 20 C PTH 1 41.67 83.24 23.89 0.00 0.00
21
+ ATOM 21 C PTH 1 41.67 83.24 24.89 0.00 0.00
22
+ ATOM 22 C PTH 1 41.67 83.24 25.89 0.00 0.00
23
+ ATOM 23 C PTH 1 41.67 84.24 22.89 0.00 0.00
24
+ ATOM 24 C PTH 1 41.67 84.24 23.89 0.00 0.00
25
+ ATOM 25 C PTH 1 41.67 84.24 24.89 0.00 0.00
26
+ ATOM 26 C PTH 1 41.67 84.24 25.89 0.00 0.00
27
+ ATOM 27 C PTH 1 42.67 81.24 22.89 0.00 0.00
28
+ ATOM 28 C PTH 1 42.67 81.24 23.89 0.00 0.00
29
+ ATOM 29 C PTH 1 42.67 81.24 24.89 0.00 0.00
30
+ ATOM 30 C PTH 1 42.67 82.24 21.89 0.00 0.00
31
+ ATOM 31 C PTH 1 42.67 82.24 22.89 0.00 0.00
32
+ ATOM 32 C PTH 1 42.67 82.24 23.89 0.00 0.00
33
+ ATOM 33 C PTH 1 42.67 82.24 24.89 0.00 0.00
34
+ ATOM 34 C PTH 1 42.67 82.24 25.89 0.00 0.00
35
+ ATOM 35 C PTH 1 42.67 83.24 20.89 0.00 0.00
36
+ ATOM 36 C PTH 1 42.67 83.24 21.89 0.00 0.00
37
+ ATOM 37 C PTH 1 42.67 83.24 22.89 0.00 0.00
38
+ ATOM 38 C PTH 1 42.67 83.24 23.89 0.00 0.00
39
+ ATOM 39 C PTH 1 42.67 83.24 24.89 0.00 0.00
40
+ ATOM 40 C PTH 1 42.67 83.24 25.89 0.00 0.00
41
+ ATOM 41 C PTH 1 42.67 84.24 21.89 0.00 0.00
42
+ ATOM 42 C PTH 1 42.67 84.24 22.89 0.00 0.00
43
+ ATOM 43 C PTH 1 42.67 84.24 23.89 0.00 0.00
44
+ ATOM 44 C PTH 1 42.67 84.24 24.89 0.00 0.00
45
+ ATOM 45 C PTH 1 42.67 84.24 25.89 0.00 0.00
46
+ ATOM 46 C PTH 1 43.67 81.24 20.89 0.00 0.00
47
+ ATOM 47 C PTH 1 43.67 81.24 21.89 0.00 0.00
48
+ ATOM 48 C PTH 1 43.67 81.24 22.89 0.00 0.00
49
+ ATOM 49 C PTH 1 43.67 81.24 23.89 0.00 0.00
50
+ ATOM 50 C PTH 1 43.67 82.24 20.89 0.00 0.00
51
+ ATOM 51 C PTH 1 43.67 82.24 21.89 0.00 0.00
52
+ ATOM 52 C PTH 1 43.67 82.24 22.89 0.00 0.00
53
+ ATOM 53 C PTH 1 43.67 82.24 23.89 0.00 0.00
54
+ ATOM 54 C PTH 1 43.67 82.24 24.89 0.00 0.00
55
+ ATOM 55 C PTH 1 43.67 82.24 25.89 0.00 0.00
56
+ ATOM 56 C PTH 1 43.67 83.24 20.89 0.00 0.00
57
+ ATOM 57 C PTH 1 43.67 83.24 21.89 0.00 0.00
58
+ ATOM 58 C PTH 1 43.67 83.24 22.89 0.00 0.00
59
+ ATOM 59 C PTH 1 43.67 83.24 23.89 0.00 0.00
60
+ ATOM 60 C PTH 1 43.67 83.24 24.89 0.00 0.00
61
+ ATOM 61 C PTH 1 43.67 83.24 25.89 0.00 0.00
62
+ ATOM 62 C PTH 1 43.67 84.24 20.89 0.00 0.00
63
+ ATOM 63 C PTH 1 43.67 84.24 21.89 0.00 0.00
64
+ ATOM 64 C PTH 1 43.67 84.24 22.89 0.00 0.00
65
+ ATOM 65 C PTH 1 43.67 84.24 23.89 0.00 0.00
66
+ ATOM 66 C PTH 1 43.67 84.24 24.89 0.00 0.00
67
+ ATOM 67 C PTH 1 44.67 75.24 21.89 0.00 0.00
68
+ ATOM 68 C PTH 1 44.67 75.24 22.89 0.00 0.00
69
+ ATOM 69 C PTH 1 44.67 76.24 20.89 0.00 0.00
70
+ ATOM 70 C PTH 1 44.67 76.24 21.89 0.00 0.00
71
+ ATOM 71 C PTH 1 44.67 76.24 22.89 0.00 0.00
72
+ ATOM 72 C PTH 1 44.67 77.24 20.89 0.00 0.00
73
+ ATOM 73 C PTH 1 44.67 77.24 21.89 0.00 0.00
74
+ ATOM 74 C PTH 1 44.67 77.24 22.89 0.00 0.00
75
+ ATOM 75 C PTH 1 44.67 78.24 20.89 0.00 0.00
76
+ ATOM 76 C PTH 1 44.67 78.24 21.89 0.00 0.00
77
+ ATOM 77 C PTH 1 44.67 78.24 22.89 0.00 0.00
78
+ ATOM 78 C PTH 1 44.67 79.24 20.89 0.00 0.00
79
+ ATOM 79 C PTH 1 44.67 79.24 21.89 0.00 0.00
80
+ ATOM 80 C PTH 1 44.67 80.24 19.89 0.00 0.00
81
+ ATOM 81 C PTH 1 44.67 80.24 20.89 0.00 0.00
82
+ ATOM 82 C PTH 1 44.67 80.24 21.89 0.00 0.00
83
+ ATOM 83 C PTH 1 44.67 80.24 22.89 0.00 0.00
84
+ ATOM 84 C PTH 1 44.67 81.24 19.89 0.00 0.00
85
+ ATOM 85 C PTH 1 44.67 81.24 20.89 0.00 0.00
86
+ ATOM 86 C PTH 1 44.67 81.24 21.89 0.00 0.00
87
+ ATOM 87 C PTH 1 44.67 81.24 22.89 0.00 0.00
88
+ ATOM 88 C PTH 1 44.67 81.24 23.89 0.00 0.00
89
+ ATOM 89 C PTH 1 44.67 82.24 19.89 0.00 0.00
90
+ ATOM 90 C PTH 1 44.67 82.24 20.89 0.00 0.00
91
+ ATOM 91 C PTH 1 44.67 82.24 21.89 0.00 0.00
92
+ ATOM 92 C PTH 1 44.67 82.24 22.89 0.00 0.00
93
+ ATOM 93 C PTH 1 44.67 82.24 23.89 0.00 0.00
94
+ ATOM 94 C PTH 1 44.67 82.24 24.89 0.00 0.00
95
+ ATOM 95 C PTH 1 44.67 83.24 19.89 0.00 0.00
96
+ ATOM 96 C PTH 1 44.67 83.24 20.89 0.00 0.00
97
+ ATOM 97 C PTH 1 44.67 83.24 21.89 0.00 0.00
98
+ ATOM 98 C PTH 1 44.67 83.24 22.89 0.00 0.00
99
+ ATOM 99 C PTH 1 44.67 83.24 23.89 0.00 0.00
100
+ ATOM 100 C PTH 1 44.67 83.24 24.89 0.00 0.00
101
+ ATOM 101 C PTH 1 44.67 84.24 20.89 0.00 0.00
102
+ ATOM 102 C PTH 1 44.67 84.24 21.89 0.00 0.00
103
+ ATOM 103 C PTH 1 44.67 84.24 22.89 0.00 0.00
104
+ ATOM 104 C PTH 1 44.67 84.24 23.89 0.00 0.00
105
+ ATOM 105 C PTH 1 44.67 84.24 24.89 0.00 0.00
106
+ ATOM 106 C PTH 1 45.67 75.24 20.89 0.00 0.00
107
+ ATOM 107 C PTH 1 45.67 75.24 21.89 0.00 0.00
108
+ ATOM 108 C PTH 1 45.67 75.24 22.89 0.00 0.00
109
+ ATOM 109 C PTH 1 45.67 76.24 19.89 0.00 0.00
110
+ ATOM 110 C PTH 1 45.67 76.24 20.89 0.00 0.00
111
+ ATOM 111 C PTH 1 45.67 76.24 21.89 0.00 0.00
112
+ ATOM 112 C PTH 1 45.67 76.24 22.89 0.00 0.00
113
+ ATOM 113 C PTH 1 45.67 76.24 23.89 0.00 0.00
114
+ ATOM 114 C PTH 1 45.67 77.24 18.89 0.00 0.00
115
+ ATOM 115 C PTH 1 45.67 77.24 19.89 0.00 0.00
116
+ ATOM 116 C PTH 1 45.67 77.24 20.89 0.00 0.00
117
+ ATOM 117 C PTH 1 45.67 77.24 21.89 0.00 0.00
118
+ ATOM 118 C PTH 1 45.67 77.24 22.89 0.00 0.00
119
+ ATOM 119 C PTH 1 45.67 77.24 23.89 0.00 0.00
120
+ ATOM 120 C PTH 1 45.67 78.24 18.89 0.00 0.00
121
+ ATOM 121 C PTH 1 45.67 78.24 19.89 0.00 0.00
122
+ ATOM 122 C PTH 1 45.67 78.24 20.89 0.00 0.00
123
+ ATOM 123 C PTH 1 45.67 78.24 21.89 0.00 0.00
124
+ ATOM 124 C PTH 1 45.67 78.24 22.89 0.00 0.00
125
+ ATOM 125 C PTH 1 45.67 79.24 18.89 0.00 0.00
126
+ ATOM 126 C PTH 1 45.67 79.24 19.89 0.00 0.00
127
+ ATOM 127 C PTH 1 45.67 79.24 20.89 0.00 0.00
128
+ ATOM 128 C PTH 1 45.67 79.24 21.89 0.00 0.00
129
+ ATOM 129 C PTH 1 45.67 79.24 22.89 0.00 0.00
130
+ ATOM 130 C PTH 1 45.67 80.24 18.89 0.00 0.00
131
+ ATOM 131 C PTH 1 45.67 80.24 19.89 0.00 0.00
132
+ ATOM 132 C PTH 1 45.67 80.24 20.89 0.00 0.00
133
+ ATOM 133 C PTH 1 45.67 80.24 21.89 0.00 0.00
134
+ ATOM 134 C PTH 1 45.67 80.24 22.89 0.00 0.00
135
+ ATOM 135 C PTH 1 45.67 81.24 18.89 0.00 0.00
136
+ ATOM 136 C PTH 1 45.67 81.24 19.89 0.00 0.00
137
+ ATOM 137 C PTH 1 45.67 81.24 20.89 0.00 0.00
138
+ ATOM 138 C PTH 1 45.67 81.24 21.89 0.00 0.00
139
+ ATOM 139 C PTH 1 45.67 81.24 22.89 0.00 0.00
140
+ ATOM 140 C PTH 1 45.67 81.24 23.89 0.00 0.00
141
+ ATOM 141 C PTH 1 45.67 82.24 18.89 0.00 0.00
142
+ ATOM 142 C PTH 1 45.67 82.24 19.89 0.00 0.00
143
+ ATOM 143 C PTH 1 45.67 82.24 20.89 0.00 0.00
144
+ ATOM 144 C PTH 1 45.67 82.24 21.89 0.00 0.00
145
+ ATOM 145 C PTH 1 45.67 82.24 22.89 0.00 0.00
146
+ ATOM 146 C PTH 1 45.67 82.24 23.89 0.00 0.00
147
+ ATOM 147 C PTH 1 45.67 83.24 19.89 0.00 0.00
148
+ ATOM 148 C PTH 1 45.67 83.24 20.89 0.00 0.00
149
+ ATOM 149 C PTH 1 45.67 83.24 21.89 0.00 0.00
150
+ ATOM 150 C PTH 1 45.67 83.24 22.89 0.00 0.00
151
+ ATOM 151 C PTH 1 45.67 83.24 23.89 0.00 0.00
152
+ ATOM 152 C PTH 1 45.67 84.24 20.89 0.00 0.00
153
+ ATOM 153 C PTH 1 45.67 84.24 21.89 0.00 0.00
154
+ ATOM 154 C PTH 1 45.67 84.24 22.89 0.00 0.00
155
+ ATOM 155 C PTH 1 45.67 84.24 23.89 0.00 0.00
156
+ ATOM 156 C PTH 1 46.67 75.24 20.89 0.00 0.00
157
+ ATOM 157 C PTH 1 46.67 75.24 21.89 0.00 0.00
158
+ ATOM 158 C PTH 1 46.67 75.24 22.89 0.00 0.00
159
+ ATOM 159 C PTH 1 46.67 76.24 19.89 0.00 0.00
160
+ ATOM 160 C PTH 1 46.67 76.24 20.89 0.00 0.00
161
+ ATOM 161 C PTH 1 46.67 76.24 21.89 0.00 0.00
162
+ ATOM 162 C PTH 1 46.67 76.24 22.89 0.00 0.00
163
+ ATOM 163 C PTH 1 46.67 76.24 23.89 0.00 0.00
164
+ ATOM 164 C PTH 1 46.67 77.24 18.89 0.00 0.00
165
+ ATOM 165 C PTH 1 46.67 77.24 19.89 0.00 0.00
166
+ ATOM 166 C PTH 1 46.67 77.24 20.89 0.00 0.00
167
+ ATOM 167 C PTH 1 46.67 77.24 21.89 0.00 0.00
168
+ ATOM 168 C PTH 1 46.67 77.24 22.89 0.00 0.00
169
+ ATOM 169 C PTH 1 46.67 77.24 23.89 0.00 0.00
170
+ ATOM 170 C PTH 1 46.67 78.24 18.89 0.00 0.00
171
+ ATOM 171 C PTH 1 46.67 78.24 19.89 0.00 0.00
172
+ ATOM 172 C PTH 1 46.67 78.24 20.89 0.00 0.00
173
+ ATOM 173 C PTH 1 46.67 78.24 21.89 0.00 0.00
174
+ ATOM 174 C PTH 1 46.67 78.24 22.89 0.00 0.00
175
+ ATOM 175 C PTH 1 46.67 78.24 23.89 0.00 0.00
176
+ ATOM 176 C PTH 1 46.67 79.24 18.89 0.00 0.00
177
+ ATOM 177 C PTH 1 46.67 79.24 19.89 0.00 0.00
178
+ ATOM 178 C PTH 1 46.67 79.24 20.89 0.00 0.00
179
+ ATOM 179 C PTH 1 46.67 79.24 21.89 0.00 0.00
180
+ ATOM 180 C PTH 1 46.67 79.24 22.89 0.00 0.00
181
+ ATOM 181 C PTH 1 46.67 80.24 18.89 0.00 0.00
182
+ ATOM 182 C PTH 1 46.67 80.24 19.89 0.00 0.00
183
+ ATOM 183 C PTH 1 46.67 80.24 20.89 0.00 0.00
184
+ ATOM 184 C PTH 1 46.67 80.24 21.89 0.00 0.00
185
+ ATOM 185 C PTH 1 46.67 80.24 22.89 0.00 0.00
186
+ ATOM 186 C PTH 1 46.67 80.24 23.89 0.00 0.00
187
+ ATOM 187 C PTH 1 46.67 81.24 18.89 0.00 0.00
188
+ ATOM 188 C PTH 1 46.67 81.24 19.89 0.00 0.00
189
+ ATOM 189 C PTH 1 46.67 81.24 20.89 0.00 0.00
190
+ ATOM 190 C PTH 1 46.67 81.24 21.89 0.00 0.00
191
+ ATOM 191 C PTH 1 46.67 81.24 22.89 0.00 0.00
192
+ ATOM 192 C PTH 1 46.67 82.24 19.89 0.00 0.00
193
+ ATOM 193 C PTH 1 46.67 82.24 20.89 0.00 0.00
194
+ ATOM 194 C PTH 1 46.67 82.24 21.89 0.00 0.00
195
+ ATOM 195 C PTH 1 46.67 82.24 22.89 0.00 0.00
196
+ ATOM 196 C PTH 1 46.67 83.24 20.89 0.00 0.00
197
+ ATOM 197 C PTH 1 46.67 83.24 21.89 0.00 0.00
198
+ ATOM 198 C PTH 1 46.67 83.24 22.89 0.00 0.00
199
+ ATOM 199 C PTH 1 47.67 75.24 21.89 0.00 0.00
200
+ ATOM 200 C PTH 1 47.67 76.24 19.89 0.00 0.00
201
+ ATOM 201 C PTH 1 47.67 76.24 20.89 0.00 0.00
202
+ ATOM 202 C PTH 1 47.67 76.24 21.89 0.00 0.00
203
+ ATOM 203 C PTH 1 47.67 76.24 22.89 0.00 0.00
204
+ ATOM 204 C PTH 1 47.67 77.24 18.89 0.00 0.00
205
+ ATOM 205 C PTH 1 47.67 77.24 19.89 0.00 0.00
206
+ ATOM 206 C PTH 1 47.67 77.24 20.89 0.00 0.00
207
+ ATOM 207 C PTH 1 47.67 77.24 21.89 0.00 0.00
208
+ ATOM 208 C PTH 1 47.67 77.24 22.89 0.00 0.00
209
+ ATOM 209 C PTH 1 47.67 77.24 23.89 0.00 0.00
210
+ ATOM 210 C PTH 1 47.67 78.24 18.89 0.00 0.00
211
+ ATOM 211 C PTH 1 47.67 78.24 19.89 0.00 0.00
212
+ ATOM 212 C PTH 1 47.67 78.24 20.89 0.00 0.00
213
+ ATOM 213 C PTH 1 47.67 78.24 21.89 0.00 0.00
214
+ ATOM 214 C PTH 1 47.67 78.24 22.89 0.00 0.00
215
+ ATOM 215 C PTH 1 47.67 78.24 23.89 0.00 0.00
216
+ ATOM 216 C PTH 1 47.67 79.24 18.89 0.00 0.00
217
+ ATOM 217 C PTH 1 47.67 79.24 19.89 0.00 0.00
218
+ ATOM 218 C PTH 1 47.67 79.24 20.89 0.00 0.00
219
+ ATOM 219 C PTH 1 47.67 79.24 21.89 0.00 0.00
220
+ ATOM 220 C PTH 1 47.67 79.24 22.89 0.00 0.00
221
+ ATOM 221 C PTH 1 47.67 79.24 23.89 0.00 0.00
222
+ ATOM 222 C PTH 1 47.67 80.24 18.89 0.00 0.00
223
+ ATOM 223 C PTH 1 47.67 80.24 19.89 0.00 0.00
224
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225
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226
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227
+ ATOM 227 C PTH 1 47.67 80.24 23.89 0.00 0.00
228
+ ATOM 228 C PTH 1 47.67 81.24 19.89 0.00 0.00
229
+ ATOM 229 C PTH 1 47.67 81.24 20.89 0.00 0.00
230
+ ATOM 230 C PTH 1 47.67 81.24 21.89 0.00 0.00
231
+ ATOM 231 C PTH 1 47.67 81.24 22.89 0.00 0.00
232
+ ATOM 232 C PTH 1 47.67 82.24 19.89 0.00 0.00
233
+ ATOM 233 C PTH 1 47.67 82.24 20.89 0.00 0.00
234
+ ATOM 234 C PTH 1 47.67 82.24 21.89 0.00 0.00
235
+ ATOM 235 C PTH 1 47.67 82.24 22.89 0.00 0.00
236
+ ATOM 236 C PTH 1 47.67 83.24 20.89 0.00 0.00
237
+ ATOM 237 C PTH 1 47.67 83.24 21.89 0.00 0.00
238
+ ATOM 238 C PTH 1 48.67 76.24 21.89 0.00 0.00
239
+ ATOM 239 C PTH 1 48.67 77.24 19.89 0.00 0.00
240
+ ATOM 240 C PTH 1 48.67 77.24 20.89 0.00 0.00
241
+ ATOM 241 C PTH 1 48.67 77.24 21.89 0.00 0.00
242
+ ATOM 242 C PTH 1 48.67 77.24 22.89 0.00 0.00
243
+ ATOM 243 C PTH 1 48.67 78.24 19.89 0.00 0.00
244
+ ATOM 244 C PTH 1 48.67 78.24 20.89 0.00 0.00
245
+ ATOM 245 C PTH 1 48.67 78.24 21.89 0.00 0.00
246
+ ATOM 246 C PTH 1 48.67 78.24 22.89 0.00 0.00
247
+ ATOM 247 C PTH 1 48.67 78.24 23.89 0.00 0.00
248
+ ATOM 248 C PTH 1 48.67 79.24 19.89 0.00 0.00
249
+ ATOM 249 C PTH 1 48.67 79.24 20.89 0.00 0.00
250
+ ATOM 250 C PTH 1 48.67 79.24 21.89 0.00 0.00
251
+ ATOM 251 C PTH 1 48.67 79.24 22.89 0.00 0.00
252
+ ATOM 252 C PTH 1 48.67 79.24 23.89 0.00 0.00
253
+ ATOM 253 C PTH 1 48.67 80.24 19.89 0.00 0.00
254
+ ATOM 254 C PTH 1 48.67 80.24 20.89 0.00 0.00
255
+ ATOM 255 C PTH 1 48.67 80.24 21.89 0.00 0.00
256
+ ATOM 256 C PTH 1 48.67 80.24 22.89 0.00 0.00
257
+ ATOM 257 C PTH 1 48.67 81.24 19.89 0.00 0.00
258
+ ATOM 258 C PTH 1 48.67 81.24 20.89 0.00 0.00
259
+ ATOM 259 C PTH 1 48.67 81.24 21.89 0.00 0.00
260
+ ATOM 260 C PTH 1 48.67 81.24 22.89 0.00 0.00
data/files/A000C/pocket_03.pdb ADDED
@@ -0,0 +1,232 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 34.67 77.24 26.89 0.00 0.00
2
+ ATOM 2 C PTH 1 34.67 77.24 27.89 0.00 0.00
3
+ ATOM 3 C PTH 1 34.67 78.24 26.89 0.00 0.00
4
+ ATOM 4 C PTH 1 34.67 78.24 27.89 0.00 0.00
5
+ ATOM 5 C PTH 1 34.67 80.24 26.89 0.00 0.00
6
+ ATOM 6 C PTH 1 34.67 80.24 27.89 0.00 0.00
7
+ ATOM 7 C PTH 1 34.67 80.24 28.89 0.00 0.00
8
+ ATOM 8 C PTH 1 34.67 81.24 26.89 0.00 0.00
9
+ ATOM 9 C PTH 1 34.67 81.24 27.89 0.00 0.00
10
+ ATOM 10 C PTH 1 34.67 81.24 28.89 0.00 0.00
11
+ ATOM 11 C PTH 1 34.67 82.24 26.89 0.00 0.00
12
+ ATOM 12 C PTH 1 34.67 82.24 27.89 0.00 0.00
13
+ ATOM 13 C PTH 1 34.67 82.24 28.89 0.00 0.00
14
+ ATOM 14 C PTH 1 34.67 82.24 29.89 0.00 0.00
15
+ ATOM 15 C PTH 1 34.67 82.24 30.89 0.00 0.00
16
+ ATOM 16 C PTH 1 34.67 82.24 31.89 0.00 0.00
17
+ ATOM 17 C PTH 1 34.67 82.24 32.89 0.00 0.00
18
+ ATOM 18 C PTH 1 34.67 83.24 29.89 0.00 0.00
19
+ ATOM 19 C PTH 1 34.67 83.24 30.89 0.00 0.00
20
+ ATOM 20 C PTH 1 34.67 83.24 31.89 0.00 0.00
21
+ ATOM 21 C PTH 1 34.67 83.24 32.89 0.00 0.00
22
+ ATOM 22 C PTH 1 35.67 75.24 28.89 0.00 0.00
23
+ ATOM 23 C PTH 1 35.67 75.24 29.89 0.00 0.00
24
+ ATOM 24 C PTH 1 35.67 76.24 26.89 0.00 0.00
25
+ ATOM 25 C PTH 1 35.67 76.24 27.89 0.00 0.00
26
+ ATOM 26 C PTH 1 35.67 76.24 28.89 0.00 0.00
27
+ ATOM 27 C PTH 1 35.67 76.24 29.89 0.00 0.00
28
+ ATOM 28 C PTH 1 35.67 77.24 25.89 0.00 0.00
29
+ ATOM 29 C PTH 1 35.67 77.24 26.89 0.00 0.00
30
+ ATOM 30 C PTH 1 35.67 77.24 27.89 0.00 0.00
31
+ ATOM 31 C PTH 1 35.67 77.24 28.89 0.00 0.00
32
+ ATOM 32 C PTH 1 35.67 78.24 25.89 0.00 0.00
33
+ ATOM 33 C PTH 1 35.67 78.24 26.89 0.00 0.00
34
+ ATOM 34 C PTH 1 35.67 78.24 27.89 0.00 0.00
35
+ ATOM 35 C PTH 1 35.67 78.24 28.89 0.00 0.00
36
+ ATOM 36 C PTH 1 35.67 79.24 25.89 0.00 0.00
37
+ ATOM 37 C PTH 1 35.67 79.24 26.89 0.00 0.00
38
+ ATOM 38 C PTH 1 35.67 79.24 27.89 0.00 0.00
39
+ ATOM 39 C PTH 1 35.67 79.24 28.89 0.00 0.00
40
+ ATOM 40 C PTH 1 35.67 80.24 25.89 0.00 0.00
41
+ ATOM 41 C PTH 1 35.67 80.24 26.89 0.00 0.00
42
+ ATOM 42 C PTH 1 35.67 80.24 27.89 0.00 0.00
43
+ ATOM 43 C PTH 1 35.67 80.24 28.89 0.00 0.00
44
+ ATOM 44 C PTH 1 35.67 80.24 29.89 0.00 0.00
45
+ ATOM 45 C PTH 1 35.67 81.24 25.89 0.00 0.00
46
+ ATOM 46 C PTH 1 35.67 81.24 26.89 0.00 0.00
47
+ ATOM 47 C PTH 1 35.67 81.24 27.89 0.00 0.00
48
+ ATOM 48 C PTH 1 35.67 81.24 28.89 0.00 0.00
49
+ ATOM 49 C PTH 1 35.67 81.24 29.89 0.00 0.00
50
+ ATOM 50 C PTH 1 35.67 81.24 30.89 0.00 0.00
51
+ ATOM 51 C PTH 1 35.67 81.24 31.89 0.00 0.00
52
+ ATOM 52 C PTH 1 35.67 81.24 32.89 0.00 0.00
53
+ ATOM 53 C PTH 1 35.67 82.24 26.89 0.00 0.00
54
+ ATOM 54 C PTH 1 35.67 82.24 27.89 0.00 0.00
55
+ ATOM 55 C PTH 1 35.67 82.24 28.89 0.00 0.00
56
+ ATOM 56 C PTH 1 35.67 82.24 29.89 0.00 0.00
57
+ ATOM 57 C PTH 1 35.67 82.24 30.89 0.00 0.00
58
+ ATOM 58 C PTH 1 35.67 82.24 31.89 0.00 0.00
59
+ ATOM 59 C PTH 1 35.67 82.24 32.89 0.00 0.00
60
+ ATOM 60 C PTH 1 35.67 83.24 26.89 0.00 0.00
61
+ ATOM 61 C PTH 1 35.67 83.24 27.89 0.00 0.00
62
+ ATOM 62 C PTH 1 35.67 83.24 28.89 0.00 0.00
63
+ ATOM 63 C PTH 1 35.67 83.24 29.89 0.00 0.00
64
+ ATOM 64 C PTH 1 35.67 83.24 30.89 0.00 0.00
65
+ ATOM 65 C PTH 1 35.67 83.24 31.89 0.00 0.00
66
+ ATOM 66 C PTH 1 35.67 83.24 32.89 0.00 0.00
67
+ ATOM 67 C PTH 1 36.67 75.24 28.89 0.00 0.00
68
+ ATOM 68 C PTH 1 36.67 75.24 29.89 0.00 0.00
69
+ ATOM 69 C PTH 1 36.67 76.24 25.89 0.00 0.00
70
+ ATOM 70 C PTH 1 36.67 76.24 26.89 0.00 0.00
71
+ ATOM 71 C PTH 1 36.67 76.24 27.89 0.00 0.00
72
+ ATOM 72 C PTH 1 36.67 76.24 28.89 0.00 0.00
73
+ ATOM 73 C PTH 1 36.67 76.24 29.89 0.00 0.00
74
+ ATOM 74 C PTH 1 36.67 77.24 25.89 0.00 0.00
75
+ ATOM 75 C PTH 1 36.67 77.24 26.89 0.00 0.00
76
+ ATOM 76 C PTH 1 36.67 77.24 27.89 0.00 0.00
77
+ ATOM 77 C PTH 1 36.67 77.24 28.89 0.00 0.00
78
+ ATOM 78 C PTH 1 36.67 78.24 25.89 0.00 0.00
79
+ ATOM 79 C PTH 1 36.67 78.24 26.89 0.00 0.00
80
+ ATOM 80 C PTH 1 36.67 78.24 27.89 0.00 0.00
81
+ ATOM 81 C PTH 1 36.67 78.24 28.89 0.00 0.00
82
+ ATOM 82 C PTH 1 36.67 79.24 25.89 0.00 0.00
83
+ ATOM 83 C PTH 1 36.67 79.24 26.89 0.00 0.00
84
+ ATOM 84 C PTH 1 36.67 79.24 27.89 0.00 0.00
85
+ ATOM 85 C PTH 1 36.67 79.24 28.89 0.00 0.00
86
+ ATOM 86 C PTH 1 36.67 80.24 25.89 0.00 0.00
87
+ ATOM 87 C PTH 1 36.67 80.24 26.89 0.00 0.00
88
+ ATOM 88 C PTH 1 36.67 80.24 27.89 0.00 0.00
89
+ ATOM 89 C PTH 1 36.67 80.24 28.89 0.00 0.00
90
+ ATOM 90 C PTH 1 36.67 80.24 29.89 0.00 0.00
91
+ ATOM 91 C PTH 1 36.67 81.24 25.89 0.00 0.00
92
+ ATOM 92 C PTH 1 36.67 81.24 26.89 0.00 0.00
93
+ ATOM 93 C PTH 1 36.67 81.24 27.89 0.00 0.00
94
+ ATOM 94 C PTH 1 36.67 81.24 28.89 0.00 0.00
95
+ ATOM 95 C PTH 1 36.67 81.24 29.89 0.00 0.00
96
+ ATOM 96 C PTH 1 36.67 81.24 30.89 0.00 0.00
97
+ ATOM 97 C PTH 1 36.67 81.24 31.89 0.00 0.00
98
+ ATOM 98 C PTH 1 36.67 81.24 32.89 0.00 0.00
99
+ ATOM 99 C PTH 1 36.67 82.24 25.89 0.00 0.00
100
+ ATOM 100 C PTH 1 36.67 82.24 26.89 0.00 0.00
101
+ ATOM 101 C PTH 1 36.67 82.24 27.89 0.00 0.00
102
+ ATOM 102 C PTH 1 36.67 82.24 28.89 0.00 0.00
103
+ ATOM 103 C PTH 1 36.67 82.24 29.89 0.00 0.00
104
+ ATOM 104 C PTH 1 36.67 82.24 30.89 0.00 0.00
105
+ ATOM 105 C PTH 1 36.67 82.24 31.89 0.00 0.00
106
+ ATOM 106 C PTH 1 36.67 82.24 32.89 0.00 0.00
107
+ ATOM 107 C PTH 1 36.67 83.24 25.89 0.00 0.00
108
+ ATOM 108 C PTH 1 36.67 83.24 26.89 0.00 0.00
109
+ ATOM 109 C PTH 1 36.67 83.24 27.89 0.00 0.00
110
+ ATOM 110 C PTH 1 36.67 83.24 28.89 0.00 0.00
111
+ ATOM 111 C PTH 1 36.67 83.24 29.89 0.00 0.00
112
+ ATOM 112 C PTH 1 36.67 83.24 30.89 0.00 0.00
113
+ ATOM 113 C PTH 1 36.67 83.24 31.89 0.00 0.00
114
+ ATOM 114 C PTH 1 36.67 83.24 32.89 0.00 0.00
115
+ ATOM 115 C PTH 1 37.67 75.24 28.89 0.00 0.00
116
+ ATOM 116 C PTH 1 37.67 76.24 26.89 0.00 0.00
117
+ ATOM 117 C PTH 1 37.67 76.24 27.89 0.00 0.00
118
+ ATOM 118 C PTH 1 37.67 76.24 28.89 0.00 0.00
119
+ ATOM 119 C PTH 1 37.67 77.24 25.89 0.00 0.00
120
+ ATOM 120 C PTH 1 37.67 77.24 26.89 0.00 0.00
121
+ ATOM 121 C PTH 1 37.67 77.24 27.89 0.00 0.00
122
+ ATOM 122 C PTH 1 37.67 77.24 28.89 0.00 0.00
123
+ ATOM 123 C PTH 1 37.67 78.24 25.89 0.00 0.00
124
+ ATOM 124 C PTH 1 37.67 78.24 26.89 0.00 0.00
125
+ ATOM 125 C PTH 1 37.67 78.24 27.89 0.00 0.00
126
+ ATOM 126 C PTH 1 37.67 78.24 28.89 0.00 0.00
127
+ ATOM 127 C PTH 1 37.67 79.24 25.89 0.00 0.00
128
+ ATOM 128 C PTH 1 37.67 79.24 26.89 0.00 0.00
129
+ ATOM 129 C PTH 1 37.67 79.24 27.89 0.00 0.00
130
+ ATOM 130 C PTH 1 37.67 79.24 28.89 0.00 0.00
131
+ ATOM 131 C PTH 1 37.67 80.24 25.89 0.00 0.00
132
+ ATOM 132 C PTH 1 37.67 80.24 26.89 0.00 0.00
133
+ ATOM 133 C PTH 1 37.67 80.24 27.89 0.00 0.00
134
+ ATOM 134 C PTH 1 37.67 80.24 28.89 0.00 0.00
135
+ ATOM 135 C PTH 1 37.67 80.24 29.89 0.00 0.00
136
+ ATOM 136 C PTH 1 37.67 81.24 24.89 0.00 0.00
137
+ ATOM 137 C PTH 1 37.67 81.24 25.89 0.00 0.00
138
+ ATOM 138 C PTH 1 37.67 81.24 26.89 0.00 0.00
139
+ ATOM 139 C PTH 1 37.67 81.24 27.89 0.00 0.00
140
+ ATOM 140 C PTH 1 37.67 81.24 28.89 0.00 0.00
141
+ ATOM 141 C PTH 1 37.67 81.24 29.89 0.00 0.00
142
+ ATOM 142 C PTH 1 37.67 81.24 30.89 0.00 0.00
143
+ ATOM 143 C PTH 1 37.67 81.24 31.89 0.00 0.00
144
+ ATOM 144 C PTH 1 37.67 81.24 32.89 0.00 0.00
145
+ ATOM 145 C PTH 1 37.67 82.24 24.89 0.00 0.00
146
+ ATOM 146 C PTH 1 37.67 82.24 25.89 0.00 0.00
147
+ ATOM 147 C PTH 1 37.67 82.24 26.89 0.00 0.00
148
+ ATOM 148 C PTH 1 37.67 82.24 27.89 0.00 0.00
149
+ ATOM 149 C PTH 1 37.67 82.24 28.89 0.00 0.00
150
+ ATOM 150 C PTH 1 37.67 82.24 29.89 0.00 0.00
151
+ ATOM 151 C PTH 1 37.67 82.24 30.89 0.00 0.00
152
+ ATOM 152 C PTH 1 37.67 82.24 31.89 0.00 0.00
153
+ ATOM 153 C PTH 1 37.67 82.24 32.89 0.00 0.00
154
+ ATOM 154 C PTH 1 37.67 83.24 25.89 0.00 0.00
155
+ ATOM 155 C PTH 1 37.67 83.24 26.89 0.00 0.00
156
+ ATOM 156 C PTH 1 37.67 83.24 27.89 0.00 0.00
157
+ ATOM 157 C PTH 1 37.67 83.24 28.89 0.00 0.00
158
+ ATOM 158 C PTH 1 37.67 83.24 29.89 0.00 0.00
159
+ ATOM 159 C PTH 1 37.67 83.24 30.89 0.00 0.00
160
+ ATOM 160 C PTH 1 37.67 83.24 31.89 0.00 0.00
161
+ ATOM 161 C PTH 1 38.67 76.24 27.89 0.00 0.00
162
+ ATOM 162 C PTH 1 38.67 77.24 26.89 0.00 0.00
163
+ ATOM 163 C PTH 1 38.67 77.24 27.89 0.00 0.00
164
+ ATOM 164 C PTH 1 38.67 78.24 25.89 0.00 0.00
165
+ ATOM 165 C PTH 1 38.67 78.24 26.89 0.00 0.00
166
+ ATOM 166 C PTH 1 38.67 78.24 27.89 0.00 0.00
167
+ ATOM 167 C PTH 1 38.67 78.24 28.89 0.00 0.00
168
+ ATOM 168 C PTH 1 38.67 79.24 25.89 0.00 0.00
169
+ ATOM 169 C PTH 1 38.67 79.24 26.89 0.00 0.00
170
+ ATOM 170 C PTH 1 38.67 79.24 27.89 0.00 0.00
171
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174
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232
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data/files/A000C/pocket_04.pdb ADDED
@@ -0,0 +1,189 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 40.67 54.24 30.89 0.00 0.00
2
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data/files/A000C/pocket_05.pdb ADDED
@@ -0,0 +1,170 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 35.67 71.24 48.89 0.00 0.00
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+ ATOM 25 C PTH 1 37.67 71.24 50.89 0.00 0.00
26
+ ATOM 26 C PTH 1 37.67 71.24 51.89 0.00 0.00
27
+ ATOM 27 C PTH 1 37.67 71.24 52.89 0.00 0.00
28
+ ATOM 28 C PTH 1 37.67 71.24 53.89 0.00 0.00
29
+ ATOM 29 C PTH 1 37.67 72.24 48.89 0.00 0.00
30
+ ATOM 30 C PTH 1 37.67 72.24 49.89 0.00 0.00
31
+ ATOM 31 C PTH 1 37.67 72.24 50.89 0.00 0.00
32
+ ATOM 32 C PTH 1 37.67 72.24 51.89 0.00 0.00
33
+ ATOM 33 C PTH 1 37.67 72.24 52.89 0.00 0.00
34
+ ATOM 34 C PTH 1 37.67 72.24 53.89 0.00 0.00
35
+ ATOM 35 C PTH 1 37.67 73.24 49.89 0.00 0.00
36
+ ATOM 36 C PTH 1 37.67 73.24 50.89 0.00 0.00
37
+ ATOM 37 C PTH 1 37.67 73.24 51.89 0.00 0.00
38
+ ATOM 38 C PTH 1 37.67 73.24 52.89 0.00 0.00
39
+ ATOM 39 C PTH 1 37.67 73.24 53.89 0.00 0.00
40
+ ATOM 40 C PTH 1 37.67 74.24 50.89 0.00 0.00
41
+ ATOM 41 C PTH 1 37.67 74.24 51.89 0.00 0.00
42
+ ATOM 42 C PTH 1 37.67 74.24 52.89 0.00 0.00
43
+ ATOM 43 C PTH 1 38.67 70.24 50.89 0.00 0.00
44
+ ATOM 44 C PTH 1 38.67 70.24 51.89 0.00 0.00
45
+ ATOM 45 C PTH 1 38.67 70.24 52.89 0.00 0.00
46
+ ATOM 46 C PTH 1 38.67 70.24 53.89 0.00 0.00
47
+ ATOM 47 C PTH 1 38.67 71.24 48.89 0.00 0.00
48
+ ATOM 48 C PTH 1 38.67 71.24 49.89 0.00 0.00
49
+ ATOM 49 C PTH 1 38.67 71.24 50.89 0.00 0.00
50
+ ATOM 50 C PTH 1 38.67 71.24 51.89 0.00 0.00
51
+ ATOM 51 C PTH 1 38.67 71.24 52.89 0.00 0.00
52
+ ATOM 52 C PTH 1 38.67 71.24 53.89 0.00 0.00
53
+ ATOM 53 C PTH 1 38.67 72.24 48.89 0.00 0.00
54
+ ATOM 54 C PTH 1 38.67 72.24 49.89 0.00 0.00
55
+ ATOM 55 C PTH 1 38.67 72.24 50.89 0.00 0.00
56
+ ATOM 56 C PTH 1 38.67 72.24 51.89 0.00 0.00
57
+ ATOM 57 C PTH 1 38.67 72.24 52.89 0.00 0.00
58
+ ATOM 58 C PTH 1 38.67 72.24 53.89 0.00 0.00
59
+ ATOM 59 C PTH 1 38.67 73.24 49.89 0.00 0.00
60
+ ATOM 60 C PTH 1 38.67 73.24 50.89 0.00 0.00
61
+ ATOM 61 C PTH 1 38.67 73.24 51.89 0.00 0.00
62
+ ATOM 62 C PTH 1 38.67 73.24 52.89 0.00 0.00
63
+ ATOM 63 C PTH 1 38.67 73.24 53.89 0.00 0.00
64
+ ATOM 64 C PTH 1 38.67 74.24 50.89 0.00 0.00
65
+ ATOM 65 C PTH 1 38.67 74.24 51.89 0.00 0.00
66
+ ATOM 66 C PTH 1 38.67 74.24 52.89 0.00 0.00
67
+ ATOM 67 C PTH 1 38.67 74.24 53.89 0.00 0.00
68
+ ATOM 68 C PTH 1 39.67 70.24 51.89 0.00 0.00
69
+ ATOM 69 C PTH 1 39.67 71.24 49.89 0.00 0.00
70
+ ATOM 70 C PTH 1 39.67 71.24 50.89 0.00 0.00
71
+ ATOM 71 C PTH 1 39.67 71.24 51.89 0.00 0.00
72
+ ATOM 72 C PTH 1 39.67 71.24 52.89 0.00 0.00
73
+ ATOM 73 C PTH 1 39.67 71.24 53.89 0.00 0.00
74
+ ATOM 74 C PTH 1 39.67 71.24 54.89 0.00 0.00
75
+ ATOM 75 C PTH 1 39.67 72.24 49.89 0.00 0.00
76
+ ATOM 76 C PTH 1 39.67 72.24 50.89 0.00 0.00
77
+ ATOM 77 C PTH 1 39.67 72.24 51.89 0.00 0.00
78
+ ATOM 78 C PTH 1 39.67 72.24 52.89 0.00 0.00
79
+ ATOM 79 C PTH 1 39.67 72.24 53.89 0.00 0.00
80
+ ATOM 80 C PTH 1 39.67 72.24 54.89 0.00 0.00
81
+ ATOM 81 C PTH 1 39.67 73.24 49.89 0.00 0.00
82
+ ATOM 82 C PTH 1 39.67 73.24 50.89 0.00 0.00
83
+ ATOM 83 C PTH 1 39.67 73.24 51.89 0.00 0.00
84
+ ATOM 84 C PTH 1 39.67 73.24 52.89 0.00 0.00
85
+ ATOM 85 C PTH 1 39.67 73.24 53.89 0.00 0.00
86
+ ATOM 86 C PTH 1 39.67 73.24 54.89 0.00 0.00
87
+ ATOM 87 C PTH 1 39.67 74.24 50.89 0.00 0.00
88
+ ATOM 88 C PTH 1 39.67 74.24 51.89 0.00 0.00
89
+ ATOM 89 C PTH 1 39.67 74.24 52.89 0.00 0.00
90
+ ATOM 90 C PTH 1 39.67 74.24 53.89 0.00 0.00
91
+ ATOM 91 C PTH 1 40.67 71.24 50.89 0.00 0.00
92
+ ATOM 92 C PTH 1 40.67 71.24 51.89 0.00 0.00
93
+ ATOM 93 C PTH 1 40.67 71.24 52.89 0.00 0.00
94
+ ATOM 94 C PTH 1 40.67 71.24 53.89 0.00 0.00
95
+ ATOM 95 C PTH 1 40.67 71.24 54.89 0.00 0.00
96
+ ATOM 96 C PTH 1 40.67 72.24 50.89 0.00 0.00
97
+ ATOM 97 C PTH 1 40.67 72.24 51.89 0.00 0.00
98
+ ATOM 98 C PTH 1 40.67 72.24 52.89 0.00 0.00
99
+ ATOM 99 C PTH 1 40.67 72.24 53.89 0.00 0.00
100
+ ATOM 100 C PTH 1 40.67 72.24 54.89 0.00 0.00
101
+ ATOM 101 C PTH 1 40.67 73.24 50.89 0.00 0.00
102
+ ATOM 102 C PTH 1 40.67 73.24 51.89 0.00 0.00
103
+ ATOM 103 C PTH 1 40.67 73.24 52.89 0.00 0.00
104
+ ATOM 104 C PTH 1 40.67 73.24 53.89 0.00 0.00
105
+ ATOM 105 C PTH 1 40.67 73.24 54.89 0.00 0.00
106
+ ATOM 106 C PTH 1 40.67 74.24 50.89 0.00 0.00
107
+ ATOM 107 C PTH 1 40.67 74.24 51.89 0.00 0.00
108
+ ATOM 108 C PTH 1 40.67 74.24 52.89 0.00 0.00
109
+ ATOM 109 C PTH 1 40.67 74.24 53.89 0.00 0.00
110
+ ATOM 110 C PTH 1 40.67 74.24 54.89 0.00 0.00
111
+ ATOM 111 C PTH 1 41.67 71.24 51.89 0.00 0.00
112
+ ATOM 112 C PTH 1 41.67 71.24 52.89 0.00 0.00
113
+ ATOM 113 C PTH 1 41.67 71.24 53.89 0.00 0.00
114
+ ATOM 114 C PTH 1 41.67 71.24 54.89 0.00 0.00
115
+ ATOM 115 C PTH 1 41.67 72.24 51.89 0.00 0.00
116
+ ATOM 116 C PTH 1 41.67 72.24 52.89 0.00 0.00
117
+ ATOM 117 C PTH 1 41.67 72.24 53.89 0.00 0.00
118
+ ATOM 118 C PTH 1 41.67 72.24 54.89 0.00 0.00
119
+ ATOM 119 C PTH 1 41.67 73.24 51.89 0.00 0.00
120
+ ATOM 120 C PTH 1 41.67 73.24 52.89 0.00 0.00
121
+ ATOM 121 C PTH 1 41.67 73.24 53.89 0.00 0.00
122
+ ATOM 122 C PTH 1 41.67 73.24 54.89 0.00 0.00
123
+ ATOM 123 C PTH 1 41.67 74.24 51.89 0.00 0.00
124
+ ATOM 124 C PTH 1 41.67 74.24 52.89 0.00 0.00
125
+ ATOM 125 C PTH 1 41.67 74.24 53.89 0.00 0.00
126
+ ATOM 126 C PTH 1 41.67 74.24 54.89 0.00 0.00
127
+ ATOM 127 C PTH 1 42.67 71.24 52.89 0.00 0.00
128
+ ATOM 128 C PTH 1 42.67 72.24 51.89 0.00 0.00
129
+ ATOM 129 C PTH 1 42.67 72.24 52.89 0.00 0.00
130
+ ATOM 130 C PTH 1 42.67 72.24 53.89 0.00 0.00
131
+ ATOM 131 C PTH 1 42.67 72.24 54.89 0.00 0.00
132
+ ATOM 132 C PTH 1 42.67 73.24 51.89 0.00 0.00
133
+ ATOM 133 C PTH 1 42.67 73.24 52.89 0.00 0.00
134
+ ATOM 134 C PTH 1 42.67 73.24 53.89 0.00 0.00
135
+ ATOM 135 C PTH 1 42.67 73.24 54.89 0.00 0.00
136
+ ATOM 136 C PTH 1 42.67 73.24 55.89 0.00 0.00
137
+ ATOM 137 C PTH 1 42.67 74.24 52.89 0.00 0.00
138
+ ATOM 138 C PTH 1 42.67 74.24 53.89 0.00 0.00
139
+ ATOM 139 C PTH 1 42.67 74.24 54.89 0.00 0.00
140
+ ATOM 140 C PTH 1 42.67 74.24 55.89 0.00 0.00
141
+ ATOM 141 C PTH 1 43.67 72.24 52.89 0.00 0.00
142
+ ATOM 142 C PTH 1 43.67 72.24 53.89 0.00 0.00
143
+ ATOM 143 C PTH 1 43.67 72.24 54.89 0.00 0.00
144
+ ATOM 144 C PTH 1 43.67 73.24 52.89 0.00 0.00
145
+ ATOM 145 C PTH 1 43.67 73.24 53.89 0.00 0.00
146
+ ATOM 146 C PTH 1 43.67 73.24 54.89 0.00 0.00
147
+ ATOM 147 C PTH 1 43.67 73.24 55.89 0.00 0.00
148
+ ATOM 148 C PTH 1 43.67 74.24 52.89 0.00 0.00
149
+ ATOM 149 C PTH 1 43.67 74.24 53.89 0.00 0.00
150
+ ATOM 150 C PTH 1 43.67 74.24 54.89 0.00 0.00
151
+ ATOM 151 C PTH 1 43.67 74.24 55.89 0.00 0.00
152
+ ATOM 152 C PTH 1 44.67 72.24 52.89 0.00 0.00
153
+ ATOM 153 C PTH 1 44.67 72.24 53.89 0.00 0.00
154
+ ATOM 154 C PTH 1 44.67 72.24 54.89 0.00 0.00
155
+ ATOM 155 C PTH 1 44.67 73.24 52.89 0.00 0.00
156
+ ATOM 156 C PTH 1 44.67 73.24 53.89 0.00 0.00
157
+ ATOM 157 C PTH 1 44.67 73.24 54.89 0.00 0.00
158
+ ATOM 158 C PTH 1 44.67 74.24 52.89 0.00 0.00
159
+ ATOM 159 C PTH 1 44.67 74.24 53.89 0.00 0.00
160
+ ATOM 160 C PTH 1 44.67 74.24 54.89 0.00 0.00
161
+ ATOM 161 C PTH 1 45.67 72.24 51.89 0.00 0.00
162
+ ATOM 162 C PTH 1 45.67 72.24 52.89 0.00 0.00
163
+ ATOM 163 C PTH 1 45.67 72.24 53.89 0.00 0.00
164
+ ATOM 164 C PTH 1 45.67 72.24 54.89 0.00 0.00
165
+ ATOM 165 C PTH 1 45.67 73.24 51.89 0.00 0.00
166
+ ATOM 166 C PTH 1 45.67 73.24 52.89 0.00 0.00
167
+ ATOM 167 C PTH 1 45.67 73.24 53.89 0.00 0.00
168
+ ATOM 168 C PTH 1 45.67 73.24 54.89 0.00 0.00
169
+ ATOM 169 C PTH 1 45.67 74.24 53.89 0.00 0.00
170
+ ATOM 170 C PTH 1 45.67 74.24 54.89 0.00 0.00
data/files/A000C/pocket_06.pdb ADDED
@@ -0,0 +1,163 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 33.67 107.24 29.89 0.00 0.00
2
+ ATOM 2 C PTH 1 33.67 107.24 30.89 0.00 0.00
3
+ ATOM 3 C PTH 1 33.67 108.24 28.89 0.00 0.00
4
+ ATOM 4 C PTH 1 33.67 108.24 29.89 0.00 0.00
5
+ ATOM 5 C PTH 1 33.67 108.24 30.89 0.00 0.00
6
+ ATOM 6 C PTH 1 33.67 108.24 31.89 0.00 0.00
7
+ ATOM 7 C PTH 1 33.67 109.24 28.89 0.00 0.00
8
+ ATOM 8 C PTH 1 33.67 109.24 29.89 0.00 0.00
9
+ ATOM 9 C PTH 1 33.67 109.24 30.89 0.00 0.00
10
+ ATOM 10 C PTH 1 33.67 109.24 31.89 0.00 0.00
11
+ ATOM 11 C PTH 1 33.67 110.24 28.89 0.00 0.00
12
+ ATOM 12 C PTH 1 33.67 110.24 29.89 0.00 0.00
13
+ ATOM 13 C PTH 1 33.67 110.24 30.89 0.00 0.00
14
+ ATOM 14 C PTH 1 34.67 105.24 30.89 0.00 0.00
15
+ ATOM 15 C PTH 1 34.67 105.24 31.89 0.00 0.00
16
+ ATOM 16 C PTH 1 34.67 105.24 32.89 0.00 0.00
17
+ ATOM 17 C PTH 1 34.67 106.24 29.89 0.00 0.00
18
+ ATOM 18 C PTH 1 34.67 106.24 30.89 0.00 0.00
19
+ ATOM 19 C PTH 1 34.67 106.24 31.89 0.00 0.00
20
+ ATOM 20 C PTH 1 34.67 106.24 32.89 0.00 0.00
21
+ ATOM 21 C PTH 1 34.67 107.24 28.89 0.00 0.00
22
+ ATOM 22 C PTH 1 34.67 107.24 29.89 0.00 0.00
23
+ ATOM 23 C PTH 1 34.67 107.24 30.89 0.00 0.00
24
+ ATOM 24 C PTH 1 34.67 107.24 31.89 0.00 0.00
25
+ ATOM 25 C PTH 1 34.67 107.24 32.89 0.00 0.00
26
+ ATOM 26 C PTH 1 34.67 108.24 28.89 0.00 0.00
27
+ ATOM 27 C PTH 1 34.67 108.24 29.89 0.00 0.00
28
+ ATOM 28 C PTH 1 34.67 108.24 30.89 0.00 0.00
29
+ ATOM 29 C PTH 1 34.67 108.24 31.89 0.00 0.00
30
+ ATOM 30 C PTH 1 34.67 108.24 32.89 0.00 0.00
31
+ ATOM 31 C PTH 1 34.67 109.24 28.89 0.00 0.00
32
+ ATOM 32 C PTH 1 34.67 109.24 29.89 0.00 0.00
33
+ ATOM 33 C PTH 1 34.67 109.24 30.89 0.00 0.00
34
+ ATOM 34 C PTH 1 34.67 109.24 31.89 0.00 0.00
35
+ ATOM 35 C PTH 1 34.67 109.24 32.89 0.00 0.00
36
+ ATOM 36 C PTH 1 34.67 110.24 28.89 0.00 0.00
37
+ ATOM 37 C PTH 1 34.67 110.24 29.89 0.00 0.00
38
+ ATOM 38 C PTH 1 34.67 110.24 30.89 0.00 0.00
39
+ ATOM 39 C PTH 1 34.67 110.24 31.89 0.00 0.00
40
+ ATOM 40 C PTH 1 34.67 111.24 28.89 0.00 0.00
41
+ ATOM 41 C PTH 1 34.67 111.24 29.89 0.00 0.00
42
+ ATOM 42 C PTH 1 34.67 111.24 30.89 0.00 0.00
43
+ ATOM 43 C PTH 1 35.67 105.24 30.89 0.00 0.00
44
+ ATOM 44 C PTH 1 35.67 105.24 31.89 0.00 0.00
45
+ ATOM 45 C PTH 1 35.67 105.24 32.89 0.00 0.00
46
+ ATOM 46 C PTH 1 35.67 106.24 29.89 0.00 0.00
47
+ ATOM 47 C PTH 1 35.67 106.24 30.89 0.00 0.00
48
+ ATOM 48 C PTH 1 35.67 106.24 31.89 0.00 0.00
49
+ ATOM 49 C PTH 1 35.67 106.24 32.89 0.00 0.00
50
+ ATOM 50 C PTH 1 35.67 107.24 28.89 0.00 0.00
51
+ ATOM 51 C PTH 1 35.67 107.24 29.89 0.00 0.00
52
+ ATOM 52 C PTH 1 35.67 107.24 30.89 0.00 0.00
53
+ ATOM 53 C PTH 1 35.67 107.24 31.89 0.00 0.00
54
+ ATOM 54 C PTH 1 35.67 107.24 32.89 0.00 0.00
55
+ ATOM 55 C PTH 1 35.67 107.24 33.89 0.00 0.00
56
+ ATOM 56 C PTH 1 35.67 108.24 28.89 0.00 0.00
57
+ ATOM 57 C PTH 1 35.67 108.24 29.89 0.00 0.00
58
+ ATOM 58 C PTH 1 35.67 108.24 30.89 0.00 0.00
59
+ ATOM 59 C PTH 1 35.67 108.24 31.89 0.00 0.00
60
+ ATOM 60 C PTH 1 35.67 108.24 32.89 0.00 0.00
61
+ ATOM 61 C PTH 1 35.67 108.24 33.89 0.00 0.00
62
+ ATOM 62 C PTH 1 35.67 109.24 27.89 0.00 0.00
63
+ ATOM 63 C PTH 1 35.67 109.24 28.89 0.00 0.00
64
+ ATOM 64 C PTH 1 35.67 109.24 29.89 0.00 0.00
65
+ ATOM 65 C PTH 1 35.67 109.24 30.89 0.00 0.00
66
+ ATOM 66 C PTH 1 35.67 109.24 31.89 0.00 0.00
67
+ ATOM 67 C PTH 1 35.67 109.24 32.89 0.00 0.00
68
+ ATOM 68 C PTH 1 35.67 109.24 33.89 0.00 0.00
69
+ ATOM 69 C PTH 1 35.67 110.24 27.89 0.00 0.00
70
+ ATOM 70 C PTH 1 35.67 110.24 28.89 0.00 0.00
71
+ ATOM 71 C PTH 1 35.67 110.24 29.89 0.00 0.00
72
+ ATOM 72 C PTH 1 35.67 110.24 30.89 0.00 0.00
73
+ ATOM 73 C PTH 1 35.67 110.24 31.89 0.00 0.00
74
+ ATOM 74 C PTH 1 35.67 110.24 32.89 0.00 0.00
75
+ ATOM 75 C PTH 1 35.67 111.24 27.89 0.00 0.00
76
+ ATOM 76 C PTH 1 35.67 111.24 28.89 0.00 0.00
77
+ ATOM 77 C PTH 1 35.67 111.24 29.89 0.00 0.00
78
+ ATOM 78 C PTH 1 35.67 111.24 30.89 0.00 0.00
79
+ ATOM 79 C PTH 1 35.67 111.24 31.89 0.00 0.00
80
+ ATOM 80 C PTH 1 36.67 106.24 29.89 0.00 0.00
81
+ ATOM 81 C PTH 1 36.67 106.24 30.89 0.00 0.00
82
+ ATOM 82 C PTH 1 36.67 106.24 31.89 0.00 0.00
83
+ ATOM 83 C PTH 1 36.67 106.24 32.89 0.00 0.00
84
+ ATOM 84 C PTH 1 36.67 107.24 28.89 0.00 0.00
85
+ ATOM 85 C PTH 1 36.67 107.24 29.89 0.00 0.00
86
+ ATOM 86 C PTH 1 36.67 107.24 30.89 0.00 0.00
87
+ ATOM 87 C PTH 1 36.67 107.24 31.89 0.00 0.00
88
+ ATOM 88 C PTH 1 36.67 107.24 32.89 0.00 0.00
89
+ ATOM 89 C PTH 1 36.67 107.24 33.89 0.00 0.00
90
+ ATOM 90 C PTH 1 36.67 108.24 27.89 0.00 0.00
91
+ ATOM 91 C PTH 1 36.67 108.24 28.89 0.00 0.00
92
+ ATOM 92 C PTH 1 36.67 108.24 29.89 0.00 0.00
93
+ ATOM 93 C PTH 1 36.67 108.24 30.89 0.00 0.00
94
+ ATOM 94 C PTH 1 36.67 108.24 31.89 0.00 0.00
95
+ ATOM 95 C PTH 1 36.67 108.24 32.89 0.00 0.00
96
+ ATOM 96 C PTH 1 36.67 108.24 33.89 0.00 0.00
97
+ ATOM 97 C PTH 1 36.67 109.24 27.89 0.00 0.00
98
+ ATOM 98 C PTH 1 36.67 109.24 28.89 0.00 0.00
99
+ ATOM 99 C PTH 1 36.67 109.24 29.89 0.00 0.00
100
+ ATOM 100 C PTH 1 36.67 109.24 30.89 0.00 0.00
101
+ ATOM 101 C PTH 1 36.67 109.24 31.89 0.00 0.00
102
+ ATOM 102 C PTH 1 36.67 109.24 32.89 0.00 0.00
103
+ ATOM 103 C PTH 1 36.67 109.24 33.89 0.00 0.00
104
+ ATOM 104 C PTH 1 36.67 110.24 27.89 0.00 0.00
105
+ ATOM 105 C PTH 1 36.67 110.24 28.89 0.00 0.00
106
+ ATOM 106 C PTH 1 36.67 110.24 29.89 0.00 0.00
107
+ ATOM 107 C PTH 1 36.67 110.24 30.89 0.00 0.00
108
+ ATOM 108 C PTH 1 36.67 110.24 31.89 0.00 0.00
109
+ ATOM 109 C PTH 1 36.67 110.24 32.89 0.00 0.00
110
+ ATOM 110 C PTH 1 36.67 111.24 27.89 0.00 0.00
111
+ ATOM 111 C PTH 1 36.67 111.24 28.89 0.00 0.00
112
+ ATOM 112 C PTH 1 36.67 111.24 29.89 0.00 0.00
113
+ ATOM 113 C PTH 1 36.67 111.24 30.89 0.00 0.00
114
+ ATOM 114 C PTH 1 36.67 111.24 31.89 0.00 0.00
115
+ ATOM 115 C PTH 1 37.67 107.24 28.89 0.00 0.00
116
+ ATOM 116 C PTH 1 37.67 107.24 29.89 0.00 0.00
117
+ ATOM 117 C PTH 1 37.67 107.24 30.89 0.00 0.00
118
+ ATOM 118 C PTH 1 37.67 107.24 31.89 0.00 0.00
119
+ ATOM 119 C PTH 1 37.67 107.24 32.89 0.00 0.00
120
+ ATOM 120 C PTH 1 37.67 107.24 33.89 0.00 0.00
121
+ ATOM 121 C PTH 1 37.67 108.24 27.89 0.00 0.00
122
+ ATOM 122 C PTH 1 37.67 108.24 28.89 0.00 0.00
123
+ ATOM 123 C PTH 1 37.67 108.24 29.89 0.00 0.00
124
+ ATOM 124 C PTH 1 37.67 108.24 30.89 0.00 0.00
125
+ ATOM 125 C PTH 1 37.67 108.24 31.89 0.00 0.00
126
+ ATOM 126 C PTH 1 37.67 108.24 32.89 0.00 0.00
127
+ ATOM 127 C PTH 1 37.67 108.24 33.89 0.00 0.00
128
+ ATOM 128 C PTH 1 37.67 109.24 27.89 0.00 0.00
129
+ ATOM 129 C PTH 1 37.67 109.24 28.89 0.00 0.00
130
+ ATOM 130 C PTH 1 37.67 109.24 29.89 0.00 0.00
131
+ ATOM 131 C PTH 1 37.67 109.24 30.89 0.00 0.00
132
+ ATOM 132 C PTH 1 37.67 109.24 31.89 0.00 0.00
133
+ ATOM 133 C PTH 1 37.67 109.24 32.89 0.00 0.00
134
+ ATOM 134 C PTH 1 37.67 109.24 33.89 0.00 0.00
135
+ ATOM 135 C PTH 1 37.67 110.24 27.89 0.00 0.00
136
+ ATOM 136 C PTH 1 37.67 110.24 28.89 0.00 0.00
137
+ ATOM 137 C PTH 1 37.67 110.24 29.89 0.00 0.00
138
+ ATOM 138 C PTH 1 37.67 110.24 30.89 0.00 0.00
139
+ ATOM 139 C PTH 1 37.67 110.24 31.89 0.00 0.00
140
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163
+ ATOM 163 C PTH 1 39.67 109.24 29.89 0.00 0.00
data/files/A000C/pocket_07.pdb ADDED
@@ -0,0 +1,152 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 36.67 97.24 20.89 0.00 0.00
2
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data/files/A000C/pocket_08.pdb ADDED
@@ -0,0 +1,130 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 52.67 98.24 36.89 0.00 0.00
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data/files/A000C/pocket_09.pdb ADDED
@@ -0,0 +1,128 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A000C/pocket_10.pdb ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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Git LFS Details

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