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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
Libraries:
Datasets
License:
Dataset card Data Studio Files
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1 Parent(s): 304da5b

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  6. data/files/A000H/pocket_02.pdb +356 -0
  7. data/files/A000H/pocket_03.pdb +342 -0
  8. data/files/A000H/pocket_04.pdb +306 -0
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  22. data/files/A000U/clusters_01_screenshot_02.jpg +3 -0
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  33. data/files/A000U/clusters_03_screenshot_16.jpg +3 -0
  34. data/files/A000U/clusters_03_screenshot_17.jpg +3 -0
  35. data/files/A000U/pca_trajectory_06.bin +3 -0
  36. data/files/A000U/screenshot.jpg +3 -0
  37. data/files/A000U/topology.tpr +3 -0
  38. data/files/A0011/pocket_01.pdb +807 -0
  39. data/files/A0011/pocket_02.pdb +611 -0
  40. data/files/A0011/pocket_03.pdb +546 -0
  41. data/files/A0011/pocket_04.pdb +375 -0
  42. data/files/A0011/pocket_05.pdb +286 -0
  43. data/files/A0011/pocket_06.pdb +249 -0
  44. data/files/A0011/pocket_07.pdb +174 -0
  45. data/files/A0011/pocket_08.pdb +146 -0
  46. data/files/A0011/pocket_09.pdb +117 -0
  47. data/files/A0011/pocket_10.pdb +103 -0
  48. data/files/A0011/structure.pdb +0 -0
  49. data/files/A0019/clusters_00_screenshot_14.jpg +3 -0
  50. data/files/A0019/clusters_02_screenshot_16.jpg +3 -0
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181
+ ATOM 181 C PTH 1 -2.62 75.23 43.47 0.00 0.00
182
+ ATOM 182 C PTH 1 -2.62 76.23 39.47 0.00 0.00
183
+ ATOM 183 C PTH 1 -2.62 76.23 40.47 0.00 0.00
184
+ ATOM 184 C PTH 1 -2.62 76.23 41.47 0.00 0.00
185
+ ATOM 185 C PTH 1 -2.62 76.23 42.47 0.00 0.00
186
+ ATOM 186 C PTH 1 -2.62 76.23 43.47 0.00 0.00
187
+ ATOM 187 C PTH 1 -2.62 76.23 44.47 0.00 0.00
188
+ ATOM 188 C PTH 1 -2.62 77.23 39.47 0.00 0.00
189
+ ATOM 189 C PTH 1 -2.62 77.23 40.47 0.00 0.00
190
+ ATOM 190 C PTH 1 -2.62 77.23 41.47 0.00 0.00
191
+ ATOM 191 C PTH 1 -2.62 77.23 42.47 0.00 0.00
192
+ ATOM 192 C PTH 1 -2.62 77.23 43.47 0.00 0.00
193
+ ATOM 193 C PTH 1 -2.62 77.23 44.47 0.00 0.00
194
+ ATOM 194 C PTH 1 -2.62 78.23 39.47 0.00 0.00
195
+ ATOM 195 C PTH 1 -2.62 78.23 40.47 0.00 0.00
196
+ ATOM 196 C PTH 1 -2.62 78.23 41.47 0.00 0.00
197
+ ATOM 197 C PTH 1 -2.62 78.23 42.47 0.00 0.00
198
+ ATOM 198 C PTH 1 -2.62 78.23 43.47 0.00 0.00
199
+ ATOM 199 C PTH 1 -2.62 78.23 44.47 0.00 0.00
200
+ ATOM 200 C PTH 1 -2.62 79.23 39.47 0.00 0.00
201
+ ATOM 201 C PTH 1 -2.62 79.23 40.47 0.00 0.00
202
+ ATOM 202 C PTH 1 -2.62 79.23 41.47 0.00 0.00
203
+ ATOM 203 C PTH 1 -2.62 79.23 42.47 0.00 0.00
204
+ ATOM 204 C PTH 1 -2.62 79.23 43.47 0.00 0.00
205
+ ATOM 205 C PTH 1 -2.62 79.23 44.47 0.00 0.00
206
+ ATOM 206 C PTH 1 -2.62 80.23 39.47 0.00 0.00
207
+ ATOM 207 C PTH 1 -2.62 80.23 40.47 0.00 0.00
208
+ ATOM 208 C PTH 1 -2.62 80.23 41.47 0.00 0.00
209
+ ATOM 209 C PTH 1 -2.62 80.23 42.47 0.00 0.00
210
+ ATOM 210 C PTH 1 -2.62 80.23 43.47 0.00 0.00
211
+ ATOM 211 C PTH 1 -2.62 80.23 44.47 0.00 0.00
212
+ ATOM 212 C PTH 1 -2.62 81.23 41.47 0.00 0.00
213
+ ATOM 213 C PTH 1 -2.62 81.23 42.47 0.00 0.00
214
+ ATOM 214 C PTH 1 -2.62 81.23 43.47 0.00 0.00
215
+ ATOM 215 C PTH 1 -2.62 81.23 44.47 0.00 0.00
216
+ ATOM 216 C PTH 1 -2.62 81.23 45.47 0.00 0.00
217
+ ATOM 217 C PTH 1 -2.62 82.23 42.47 0.00 0.00
218
+ ATOM 218 C PTH 1 -2.62 82.23 43.47 0.00 0.00
219
+ ATOM 219 C PTH 1 -2.62 82.23 44.47 0.00 0.00
220
+ ATOM 220 C PTH 1 -2.62 82.23 45.47 0.00 0.00
221
+ ATOM 221 C PTH 1 -2.62 83.23 44.47 0.00 0.00
222
+ ATOM 222 C PTH 1 -1.62 68.23 39.47 0.00 0.00
223
+ ATOM 223 C PTH 1 -1.62 68.23 40.47 0.00 0.00
224
+ ATOM 224 C PTH 1 -1.62 69.23 39.47 0.00 0.00
225
+ ATOM 225 C PTH 1 -1.62 69.23 40.47 0.00 0.00
226
+ ATOM 226 C PTH 1 -1.62 69.23 41.47 0.00 0.00
227
+ ATOM 227 C PTH 1 -1.62 69.23 42.47 0.00 0.00
228
+ ATOM 228 C PTH 1 -1.62 70.23 39.47 0.00 0.00
229
+ ATOM 229 C PTH 1 -1.62 70.23 40.47 0.00 0.00
230
+ ATOM 230 C PTH 1 -1.62 70.23 41.47 0.00 0.00
231
+ ATOM 231 C PTH 1 -1.62 70.23 42.47 0.00 0.00
232
+ ATOM 232 C PTH 1 -1.62 71.23 39.47 0.00 0.00
233
+ ATOM 233 C PTH 1 -1.62 71.23 40.47 0.00 0.00
234
+ ATOM 234 C PTH 1 -1.62 71.23 41.47 0.00 0.00
235
+ ATOM 235 C PTH 1 -1.62 71.23 42.47 0.00 0.00
236
+ ATOM 236 C PTH 1 -1.62 72.23 39.47 0.00 0.00
237
+ ATOM 237 C PTH 1 -1.62 72.23 40.47 0.00 0.00
238
+ ATOM 238 C PTH 1 -1.62 72.23 41.47 0.00 0.00
239
+ ATOM 239 C PTH 1 -1.62 72.23 42.47 0.00 0.00
240
+ ATOM 240 C PTH 1 -1.62 73.23 39.47 0.00 0.00
241
+ ATOM 241 C PTH 1 -1.62 73.23 40.47 0.00 0.00
242
+ ATOM 242 C PTH 1 -1.62 73.23 41.47 0.00 0.00
243
+ ATOM 243 C PTH 1 -1.62 73.23 42.47 0.00 0.00
244
+ ATOM 244 C PTH 1 -1.62 74.23 38.47 0.00 0.00
245
+ ATOM 245 C PTH 1 -1.62 74.23 39.47 0.00 0.00
246
+ ATOM 246 C PTH 1 -1.62 74.23 40.47 0.00 0.00
247
+ ATOM 247 C PTH 1 -1.62 74.23 41.47 0.00 0.00
248
+ ATOM 248 C PTH 1 -1.62 74.23 42.47 0.00 0.00
249
+ ATOM 249 C PTH 1 -1.62 75.23 39.47 0.00 0.00
250
+ ATOM 250 C PTH 1 -1.62 75.23 40.47 0.00 0.00
251
+ ATOM 251 C PTH 1 -1.62 75.23 41.47 0.00 0.00
252
+ ATOM 252 C PTH 1 -1.62 75.23 42.47 0.00 0.00
253
+ ATOM 253 C PTH 1 -1.62 76.23 39.47 0.00 0.00
254
+ ATOM 254 C PTH 1 -1.62 76.23 40.47 0.00 0.00
255
+ ATOM 255 C PTH 1 -1.62 76.23 41.47 0.00 0.00
256
+ ATOM 256 C PTH 1 -1.62 76.23 42.47 0.00 0.00
257
+ ATOM 257 C PTH 1 -1.62 76.23 43.47 0.00 0.00
258
+ ATOM 258 C PTH 1 -1.62 77.23 39.47 0.00 0.00
259
+ ATOM 259 C PTH 1 -1.62 77.23 40.47 0.00 0.00
260
+ ATOM 260 C PTH 1 -1.62 77.23 41.47 0.00 0.00
261
+ ATOM 261 C PTH 1 -1.62 77.23 42.47 0.00 0.00
262
+ ATOM 262 C PTH 1 -1.62 77.23 43.47 0.00 0.00
263
+ ATOM 263 C PTH 1 -1.62 77.23 44.47 0.00 0.00
264
+ ATOM 264 C PTH 1 -1.62 78.23 39.47 0.00 0.00
265
+ ATOM 265 C PTH 1 -1.62 78.23 40.47 0.00 0.00
266
+ ATOM 266 C PTH 1 -1.62 78.23 41.47 0.00 0.00
267
+ ATOM 267 C PTH 1 -1.62 78.23 42.47 0.00 0.00
268
+ ATOM 268 C PTH 1 -1.62 78.23 43.47 0.00 0.00
269
+ ATOM 269 C PTH 1 -1.62 78.23 44.47 0.00 0.00
270
+ ATOM 270 C PTH 1 -1.62 79.23 40.47 0.00 0.00
271
+ ATOM 271 C PTH 1 -1.62 79.23 41.47 0.00 0.00
272
+ ATOM 272 C PTH 1 -1.62 79.23 42.47 0.00 0.00
273
+ ATOM 273 C PTH 1 -1.62 79.23 43.47 0.00 0.00
274
+ ATOM 274 C PTH 1 -1.62 79.23 44.47 0.00 0.00
275
+ ATOM 275 C PTH 1 -1.62 80.23 41.47 0.00 0.00
276
+ ATOM 276 C PTH 1 -1.62 80.23 42.47 0.00 0.00
277
+ ATOM 277 C PTH 1 -1.62 80.23 43.47 0.00 0.00
278
+ ATOM 278 C PTH 1 -1.62 80.23 44.47 0.00 0.00
279
+ ATOM 279 C PTH 1 -1.62 81.23 41.47 0.00 0.00
280
+ ATOM 280 C PTH 1 -1.62 81.23 42.47 0.00 0.00
281
+ ATOM 281 C PTH 1 -1.62 81.23 43.47 0.00 0.00
282
+ ATOM 282 C PTH 1 -1.62 81.23 44.47 0.00 0.00
283
+ ATOM 283 C PTH 1 -1.62 81.23 45.47 0.00 0.00
284
+ ATOM 284 C PTH 1 -1.62 82.23 42.47 0.00 0.00
285
+ ATOM 285 C PTH 1 -1.62 82.23 43.47 0.00 0.00
286
+ ATOM 286 C PTH 1 -1.62 82.23 44.47 0.00 0.00
287
+ ATOM 287 C PTH 1 -1.62 82.23 45.47 0.00 0.00
288
+ ATOM 288 C PTH 1 -1.62 83.23 43.47 0.00 0.00
289
+ ATOM 289 C PTH 1 -1.62 83.23 44.47 0.00 0.00
290
+ ATOM 290 C PTH 1 -1.62 83.23 45.47 0.00 0.00
291
+ ATOM 291 C PTH 1 -0.62 68.23 40.47 0.00 0.00
292
+ ATOM 292 C PTH 1 -0.62 68.23 41.47 0.00 0.00
293
+ ATOM 293 C PTH 1 -0.62 69.23 39.47 0.00 0.00
294
+ ATOM 294 C PTH 1 -0.62 69.23 40.47 0.00 0.00
295
+ ATOM 295 C PTH 1 -0.62 69.23 41.47 0.00 0.00
296
+ ATOM 296 C PTH 1 -0.62 69.23 42.47 0.00 0.00
297
+ ATOM 297 C PTH 1 -0.62 70.23 39.47 0.00 0.00
298
+ ATOM 298 C PTH 1 -0.62 70.23 40.47 0.00 0.00
299
+ ATOM 299 C PTH 1 -0.62 70.23 41.47 0.00 0.00
300
+ ATOM 300 C PTH 1 -0.62 70.23 42.47 0.00 0.00
301
+ ATOM 301 C PTH 1 -0.62 70.23 43.47 0.00 0.00
302
+ ATOM 302 C PTH 1 -0.62 71.23 39.47 0.00 0.00
303
+ ATOM 303 C PTH 1 -0.62 71.23 40.47 0.00 0.00
304
+ ATOM 304 C PTH 1 -0.62 71.23 41.47 0.00 0.00
305
+ ATOM 305 C PTH 1 -0.62 71.23 42.47 0.00 0.00
306
+ ATOM 306 C PTH 1 -0.62 71.23 43.47 0.00 0.00
307
+ ATOM 307 C PTH 1 -0.62 72.23 39.47 0.00 0.00
308
+ ATOM 308 C PTH 1 -0.62 72.23 40.47 0.00 0.00
309
+ ATOM 309 C PTH 1 -0.62 72.23 41.47 0.00 0.00
310
+ ATOM 310 C PTH 1 -0.62 72.23 42.47 0.00 0.00
311
+ ATOM 311 C PTH 1 -0.62 72.23 43.47 0.00 0.00
312
+ ATOM 312 C PTH 1 -0.62 73.23 39.47 0.00 0.00
313
+ ATOM 313 C PTH 1 -0.62 73.23 40.47 0.00 0.00
314
+ ATOM 314 C PTH 1 -0.62 73.23 41.47 0.00 0.00
315
+ ATOM 315 C PTH 1 -0.62 73.23 42.47 0.00 0.00
316
+ ATOM 316 C PTH 1 -0.62 74.23 38.47 0.00 0.00
317
+ ATOM 317 C PTH 1 -0.62 74.23 39.47 0.00 0.00
318
+ ATOM 318 C PTH 1 -0.62 74.23 40.47 0.00 0.00
319
+ ATOM 319 C PTH 1 -0.62 74.23 41.47 0.00 0.00
320
+ ATOM 320 C PTH 1 -0.62 74.23 42.47 0.00 0.00
321
+ ATOM 321 C PTH 1 -0.62 75.23 39.47 0.00 0.00
322
+ ATOM 322 C PTH 1 -0.62 75.23 40.47 0.00 0.00
323
+ ATOM 323 C PTH 1 -0.62 75.23 41.47 0.00 0.00
324
+ ATOM 324 C PTH 1 -0.62 75.23 42.47 0.00 0.00
325
+ ATOM 325 C PTH 1 -0.62 76.23 39.47 0.00 0.00
326
+ ATOM 326 C PTH 1 -0.62 76.23 40.47 0.00 0.00
327
+ ATOM 327 C PTH 1 -0.62 76.23 41.47 0.00 0.00
328
+ ATOM 328 C PTH 1 -0.62 76.23 42.47 0.00 0.00
329
+ ATOM 329 C PTH 1 -0.62 76.23 43.47 0.00 0.00
330
+ ATOM 330 C PTH 1 -0.62 77.23 40.47 0.00 0.00
331
+ ATOM 331 C PTH 1 -0.62 77.23 41.47 0.00 0.00
332
+ ATOM 332 C PTH 1 -0.62 77.23 42.47 0.00 0.00
333
+ ATOM 333 C PTH 1 -0.62 77.23 43.47 0.00 0.00
334
+ ATOM 334 C PTH 1 -0.62 77.23 44.47 0.00 0.00
335
+ ATOM 335 C PTH 1 -0.62 78.23 41.47 0.00 0.00
336
+ ATOM 336 C PTH 1 -0.62 78.23 42.47 0.00 0.00
337
+ ATOM 337 C PTH 1 -0.62 78.23 43.47 0.00 0.00
338
+ ATOM 338 C PTH 1 -0.62 78.23 44.47 0.00 0.00
339
+ ATOM 339 C PTH 1 -0.62 79.23 41.47 0.00 0.00
340
+ ATOM 340 C PTH 1 -0.62 79.23 42.47 0.00 0.00
341
+ ATOM 341 C PTH 1 -0.62 79.23 43.47 0.00 0.00
342
+ ATOM 342 C PTH 1 -0.62 79.23 44.47 0.00 0.00
343
+ ATOM 343 C PTH 1 -0.62 80.23 41.47 0.00 0.00
344
+ ATOM 344 C PTH 1 -0.62 80.23 42.47 0.00 0.00
345
+ ATOM 345 C PTH 1 -0.62 80.23 43.47 0.00 0.00
346
+ ATOM 346 C PTH 1 -0.62 80.23 44.47 0.00 0.00
347
+ ATOM 347 C PTH 1 -0.62 81.23 41.47 0.00 0.00
348
+ ATOM 348 C PTH 1 -0.62 81.23 42.47 0.00 0.00
349
+ ATOM 349 C PTH 1 -0.62 81.23 43.47 0.00 0.00
350
+ ATOM 350 C PTH 1 -0.62 81.23 44.47 0.00 0.00
351
+ ATOM 351 C PTH 1 -0.62 81.23 45.47 0.00 0.00
352
+ ATOM 352 C PTH 1 -0.62 82.23 42.47 0.00 0.00
353
+ ATOM 353 C PTH 1 -0.62 82.23 43.47 0.00 0.00
354
+ ATOM 354 C PTH 1 -0.62 82.23 44.47 0.00 0.00
355
+ ATOM 355 C PTH 1 -0.62 82.23 45.47 0.00 0.00
356
+ ATOM 356 C PTH 1 -0.62 83.23 42.47 0.00 0.00
357
+ ATOM 357 C PTH 1 -0.62 83.23 43.47 0.00 0.00
358
+ ATOM 358 C PTH 1 -0.62 83.23 44.47 0.00 0.00
359
+ ATOM 359 C PTH 1 0.38 68.23 41.47 0.00 0.00
360
+ ATOM 360 C PTH 1 0.38 68.23 42.47 0.00 0.00
361
+ ATOM 361 C PTH 1 0.38 69.23 40.47 0.00 0.00
362
+ ATOM 362 C PTH 1 0.38 69.23 41.47 0.00 0.00
363
+ ATOM 363 C PTH 1 0.38 69.23 42.47 0.00 0.00
364
+ ATOM 364 C PTH 1 0.38 69.23 43.47 0.00 0.00
365
+ ATOM 365 C PTH 1 0.38 70.23 39.47 0.00 0.00
366
+ ATOM 366 C PTH 1 0.38 70.23 40.47 0.00 0.00
367
+ ATOM 367 C PTH 1 0.38 70.23 41.47 0.00 0.00
368
+ ATOM 368 C PTH 1 0.38 70.23 42.47 0.00 0.00
369
+ ATOM 369 C PTH 1 0.38 70.23 43.47 0.00 0.00
370
+ ATOM 370 C PTH 1 0.38 71.23 39.47 0.00 0.00
371
+ ATOM 371 C PTH 1 0.38 71.23 40.47 0.00 0.00
372
+ ATOM 372 C PTH 1 0.38 71.23 41.47 0.00 0.00
373
+ ATOM 373 C PTH 1 0.38 71.23 42.47 0.00 0.00
374
+ ATOM 374 C PTH 1 0.38 71.23 43.47 0.00 0.00
375
+ ATOM 375 C PTH 1 0.38 71.23 44.47 0.00 0.00
376
+ ATOM 376 C PTH 1 0.38 72.23 39.47 0.00 0.00
377
+ ATOM 377 C PTH 1 0.38 72.23 40.47 0.00 0.00
378
+ ATOM 378 C PTH 1 0.38 72.23 41.47 0.00 0.00
379
+ ATOM 379 C PTH 1 0.38 72.23 42.47 0.00 0.00
380
+ ATOM 380 C PTH 1 0.38 72.23 43.47 0.00 0.00
381
+ ATOM 381 C PTH 1 0.38 73.23 38.47 0.00 0.00
382
+ ATOM 382 C PTH 1 0.38 73.23 39.47 0.00 0.00
383
+ ATOM 383 C PTH 1 0.38 73.23 40.47 0.00 0.00
384
+ ATOM 384 C PTH 1 0.38 73.23 41.47 0.00 0.00
385
+ ATOM 385 C PTH 1 0.38 73.23 42.47 0.00 0.00
386
+ ATOM 386 C PTH 1 0.38 73.23 43.47 0.00 0.00
387
+ ATOM 387 C PTH 1 0.38 74.23 38.47 0.00 0.00
388
+ ATOM 388 C PTH 1 0.38 74.23 39.47 0.00 0.00
389
+ ATOM 389 C PTH 1 0.38 74.23 40.47 0.00 0.00
390
+ ATOM 390 C PTH 1 0.38 74.23 41.47 0.00 0.00
391
+ ATOM 391 C PTH 1 0.38 74.23 42.47 0.00 0.00
392
+ ATOM 392 C PTH 1 0.38 75.23 38.47 0.00 0.00
393
+ ATOM 393 C PTH 1 0.38 75.23 39.47 0.00 0.00
394
+ ATOM 394 C PTH 1 0.38 75.23 40.47 0.00 0.00
395
+ ATOM 395 C PTH 1 0.38 75.23 41.47 0.00 0.00
396
+ ATOM 396 C PTH 1 0.38 75.23 42.47 0.00 0.00
397
+ ATOM 397 C PTH 1 0.38 75.23 43.47 0.00 0.00
398
+ ATOM 398 C PTH 1 0.38 76.23 39.47 0.00 0.00
399
+ ATOM 399 C PTH 1 0.38 76.23 40.47 0.00 0.00
400
+ ATOM 400 C PTH 1 0.38 76.23 41.47 0.00 0.00
401
+ ATOM 401 C PTH 1 0.38 76.23 42.47 0.00 0.00
402
+ ATOM 402 C PTH 1 0.38 76.23 43.47 0.00 0.00
403
+ ATOM 403 C PTH 1 0.38 77.23 40.47 0.00 0.00
404
+ ATOM 404 C PTH 1 0.38 77.23 41.47 0.00 0.00
405
+ ATOM 405 C PTH 1 0.38 77.23 42.47 0.00 0.00
406
+ ATOM 406 C PTH 1 0.38 77.23 43.47 0.00 0.00
407
+ ATOM 407 C PTH 1 0.38 77.23 44.47 0.00 0.00
408
+ ATOM 408 C PTH 1 0.38 78.23 41.47 0.00 0.00
409
+ ATOM 409 C PTH 1 0.38 78.23 42.47 0.00 0.00
410
+ ATOM 410 C PTH 1 0.38 78.23 43.47 0.00 0.00
411
+ ATOM 411 C PTH 1 0.38 78.23 44.47 0.00 0.00
412
+ ATOM 412 C PTH 1 0.38 79.23 41.47 0.00 0.00
413
+ ATOM 413 C PTH 1 0.38 79.23 42.47 0.00 0.00
414
+ ATOM 414 C PTH 1 0.38 79.23 43.47 0.00 0.00
415
+ ATOM 415 C PTH 1 0.38 79.23 44.47 0.00 0.00
416
+ ATOM 416 C PTH 1 0.38 80.23 41.47 0.00 0.00
417
+ ATOM 417 C PTH 1 0.38 80.23 42.47 0.00 0.00
418
+ ATOM 418 C PTH 1 0.38 80.23 43.47 0.00 0.00
419
+ ATOM 419 C PTH 1 0.38 80.23 44.47 0.00 0.00
420
+ ATOM 420 C PTH 1 0.38 81.23 41.47 0.00 0.00
421
+ ATOM 421 C PTH 1 0.38 81.23 42.47 0.00 0.00
422
+ ATOM 422 C PTH 1 0.38 81.23 43.47 0.00 0.00
423
+ ATOM 423 C PTH 1 0.38 81.23 44.47 0.00 0.00
424
+ ATOM 424 C PTH 1 0.38 82.23 42.47 0.00 0.00
425
+ ATOM 425 C PTH 1 0.38 82.23 43.47 0.00 0.00
426
+ ATOM 426 C PTH 1 0.38 82.23 44.47 0.00 0.00
427
+ ATOM 427 C PTH 1 0.38 83.23 43.47 0.00 0.00
428
+ ATOM 428 C PTH 1 1.38 69.23 40.47 0.00 0.00
429
+ ATOM 429 C PTH 1 1.38 69.23 41.47 0.00 0.00
430
+ ATOM 430 C PTH 1 1.38 69.23 42.47 0.00 0.00
431
+ ATOM 431 C PTH 1 1.38 69.23 43.47 0.00 0.00
432
+ ATOM 432 C PTH 1 1.38 70.23 39.47 0.00 0.00
433
+ ATOM 433 C PTH 1 1.38 70.23 40.47 0.00 0.00
434
+ ATOM 434 C PTH 1 1.38 70.23 41.47 0.00 0.00
435
+ ATOM 435 C PTH 1 1.38 70.23 42.47 0.00 0.00
436
+ ATOM 436 C PTH 1 1.38 70.23 43.47 0.00 0.00
437
+ ATOM 437 C PTH 1 1.38 70.23 44.47 0.00 0.00
438
+ ATOM 438 C PTH 1 1.38 71.23 39.47 0.00 0.00
439
+ ATOM 439 C PTH 1 1.38 71.23 40.47 0.00 0.00
440
+ ATOM 440 C PTH 1 1.38 71.23 41.47 0.00 0.00
441
+ ATOM 441 C PTH 1 1.38 71.23 42.47 0.00 0.00
442
+ ATOM 442 C PTH 1 1.38 71.23 43.47 0.00 0.00
443
+ ATOM 443 C PTH 1 1.38 71.23 44.47 0.00 0.00
444
+ ATOM 444 C PTH 1 1.38 72.23 38.47 0.00 0.00
445
+ ATOM 445 C PTH 1 1.38 72.23 39.47 0.00 0.00
446
+ ATOM 446 C PTH 1 1.38 72.23 40.47 0.00 0.00
447
+ ATOM 447 C PTH 1 1.38 72.23 41.47 0.00 0.00
448
+ ATOM 448 C PTH 1 1.38 72.23 42.47 0.00 0.00
449
+ ATOM 449 C PTH 1 1.38 72.23 43.47 0.00 0.00
450
+ ATOM 450 C PTH 1 1.38 72.23 44.47 0.00 0.00
451
+ ATOM 451 C PTH 1 1.38 73.23 38.47 0.00 0.00
452
+ ATOM 452 C PTH 1 1.38 73.23 39.47 0.00 0.00
453
+ ATOM 453 C PTH 1 1.38 73.23 40.47 0.00 0.00
454
+ ATOM 454 C PTH 1 1.38 73.23 41.47 0.00 0.00
455
+ ATOM 455 C PTH 1 1.38 73.23 42.47 0.00 0.00
456
+ ATOM 456 C PTH 1 1.38 73.23 43.47 0.00 0.00
457
+ ATOM 457 C PTH 1 1.38 74.23 38.47 0.00 0.00
458
+ ATOM 458 C PTH 1 1.38 74.23 39.47 0.00 0.00
459
+ ATOM 459 C PTH 1 1.38 74.23 40.47 0.00 0.00
460
+ ATOM 460 C PTH 1 1.38 74.23 41.47 0.00 0.00
461
+ ATOM 461 C PTH 1 1.38 74.23 42.47 0.00 0.00
462
+ ATOM 462 C PTH 1 1.38 75.23 38.47 0.00 0.00
463
+ ATOM 463 C PTH 1 1.38 75.23 39.47 0.00 0.00
464
+ ATOM 464 C PTH 1 1.38 75.23 40.47 0.00 0.00
465
+ ATOM 465 C PTH 1 1.38 75.23 41.47 0.00 0.00
466
+ ATOM 466 C PTH 1 1.38 75.23 42.47 0.00 0.00
467
+ ATOM 467 C PTH 1 1.38 75.23 43.47 0.00 0.00
468
+ ATOM 468 C PTH 1 1.38 76.23 39.47 0.00 0.00
469
+ ATOM 469 C PTH 1 1.38 76.23 40.47 0.00 0.00
470
+ ATOM 470 C PTH 1 1.38 76.23 41.47 0.00 0.00
471
+ ATOM 471 C PTH 1 1.38 76.23 42.47 0.00 0.00
472
+ ATOM 472 C PTH 1 1.38 76.23 43.47 0.00 0.00
473
+ ATOM 473 C PTH 1 1.38 77.23 40.47 0.00 0.00
474
+ ATOM 474 C PTH 1 1.38 77.23 41.47 0.00 0.00
475
+ ATOM 475 C PTH 1 1.38 77.23 42.47 0.00 0.00
476
+ ATOM 476 C PTH 1 1.38 77.23 43.47 0.00 0.00
477
+ ATOM 477 C PTH 1 1.38 77.23 44.47 0.00 0.00
478
+ ATOM 478 C PTH 1 1.38 78.23 41.47 0.00 0.00
479
+ ATOM 479 C PTH 1 1.38 78.23 42.47 0.00 0.00
480
+ ATOM 480 C PTH 1 1.38 78.23 43.47 0.00 0.00
481
+ ATOM 481 C PTH 1 1.38 78.23 44.47 0.00 0.00
482
+ ATOM 482 C PTH 1 1.38 79.23 41.47 0.00 0.00
483
+ ATOM 483 C PTH 1 1.38 79.23 42.47 0.00 0.00
484
+ ATOM 484 C PTH 1 1.38 79.23 43.47 0.00 0.00
485
+ ATOM 485 C PTH 1 1.38 80.23 42.47 0.00 0.00
486
+ ATOM 486 C PTH 1 1.38 81.23 42.47 0.00 0.00
487
+ ATOM 487 C PTH 1 2.38 69.23 40.47 0.00 0.00
488
+ ATOM 488 C PTH 1 2.38 69.23 41.47 0.00 0.00
489
+ ATOM 489 C PTH 1 2.38 69.23 42.47 0.00 0.00
490
+ ATOM 490 C PTH 1 2.38 69.23 43.47 0.00 0.00
491
+ ATOM 491 C PTH 1 2.38 70.23 39.47 0.00 0.00
492
+ ATOM 492 C PTH 1 2.38 70.23 40.47 0.00 0.00
493
+ ATOM 493 C PTH 1 2.38 70.23 41.47 0.00 0.00
494
+ ATOM 494 C PTH 1 2.38 70.23 42.47 0.00 0.00
495
+ ATOM 495 C PTH 1 2.38 70.23 43.47 0.00 0.00
496
+ ATOM 496 C PTH 1 2.38 71.23 38.47 0.00 0.00
497
+ ATOM 497 C PTH 1 2.38 71.23 39.47 0.00 0.00
498
+ ATOM 498 C PTH 1 2.38 71.23 40.47 0.00 0.00
499
+ ATOM 499 C PTH 1 2.38 71.23 41.47 0.00 0.00
500
+ ATOM 500 C PTH 1 2.38 71.23 42.47 0.00 0.00
501
+ ATOM 501 C PTH 1 2.38 71.23 43.47 0.00 0.00
502
+ ATOM 502 C PTH 1 2.38 72.23 37.47 0.00 0.00
503
+ ATOM 503 C PTH 1 2.38 72.23 38.47 0.00 0.00
504
+ ATOM 504 C PTH 1 2.38 72.23 39.47 0.00 0.00
505
+ ATOM 505 C PTH 1 2.38 72.23 40.47 0.00 0.00
506
+ ATOM 506 C PTH 1 2.38 72.23 41.47 0.00 0.00
507
+ ATOM 507 C PTH 1 2.38 72.23 42.47 0.00 0.00
508
+ ATOM 508 C PTH 1 2.38 72.23 43.47 0.00 0.00
509
+ ATOM 509 C PTH 1 2.38 73.23 36.47 0.00 0.00
510
+ ATOM 510 C PTH 1 2.38 73.23 37.47 0.00 0.00
511
+ ATOM 511 C PTH 1 2.38 73.23 38.47 0.00 0.00
512
+ ATOM 512 C PTH 1 2.38 73.23 39.47 0.00 0.00
513
+ ATOM 513 C PTH 1 2.38 73.23 40.47 0.00 0.00
514
+ ATOM 514 C PTH 1 2.38 73.23 41.47 0.00 0.00
515
+ ATOM 515 C PTH 1 2.38 73.23 42.47 0.00 0.00
516
+ ATOM 516 C PTH 1 2.38 73.23 43.47 0.00 0.00
517
+ ATOM 517 C PTH 1 2.38 74.23 35.47 0.00 0.00
518
+ ATOM 518 C PTH 1 2.38 74.23 36.47 0.00 0.00
519
+ ATOM 519 C PTH 1 2.38 74.23 37.47 0.00 0.00
520
+ ATOM 520 C PTH 1 2.38 74.23 38.47 0.00 0.00
521
+ ATOM 521 C PTH 1 2.38 74.23 39.47 0.00 0.00
522
+ ATOM 522 C PTH 1 2.38 74.23 40.47 0.00 0.00
523
+ ATOM 523 C PTH 1 2.38 74.23 41.47 0.00 0.00
524
+ ATOM 524 C PTH 1 2.38 74.23 42.47 0.00 0.00
525
+ ATOM 525 C PTH 1 2.38 75.23 36.47 0.00 0.00
526
+ ATOM 526 C PTH 1 2.38 75.23 37.47 0.00 0.00
527
+ ATOM 527 C PTH 1 2.38 75.23 38.47 0.00 0.00
528
+ ATOM 528 C PTH 1 2.38 75.23 39.47 0.00 0.00
529
+ ATOM 529 C PTH 1 2.38 75.23 40.47 0.00 0.00
530
+ ATOM 530 C PTH 1 2.38 75.23 41.47 0.00 0.00
531
+ ATOM 531 C PTH 1 2.38 75.23 42.47 0.00 0.00
532
+ ATOM 532 C PTH 1 2.38 75.23 43.47 0.00 0.00
533
+ ATOM 533 C PTH 1 2.38 76.23 37.47 0.00 0.00
534
+ ATOM 534 C PTH 1 2.38 76.23 38.47 0.00 0.00
535
+ ATOM 535 C PTH 1 2.38 76.23 39.47 0.00 0.00
536
+ ATOM 536 C PTH 1 2.38 76.23 40.47 0.00 0.00
537
+ ATOM 537 C PTH 1 2.38 76.23 41.47 0.00 0.00
538
+ ATOM 538 C PTH 1 2.38 76.23 42.47 0.00 0.00
539
+ ATOM 539 C PTH 1 2.38 76.23 43.47 0.00 0.00
540
+ ATOM 540 C PTH 1 2.38 77.23 39.47 0.00 0.00
541
+ ATOM 541 C PTH 1 2.38 77.23 40.47 0.00 0.00
542
+ ATOM 542 C PTH 1 2.38 77.23 41.47 0.00 0.00
543
+ ATOM 543 C PTH 1 2.38 77.23 42.47 0.00 0.00
544
+ ATOM 544 C PTH 1 2.38 77.23 43.47 0.00 0.00
545
+ ATOM 545 C PTH 1 3.38 70.23 39.47 0.00 0.00
546
+ ATOM 546 C PTH 1 3.38 70.23 40.47 0.00 0.00
547
+ ATOM 547 C PTH 1 3.38 70.23 41.47 0.00 0.00
548
+ ATOM 548 C PTH 1 3.38 70.23 42.47 0.00 0.00
549
+ ATOM 549 C PTH 1 3.38 70.23 43.47 0.00 0.00
550
+ ATOM 550 C PTH 1 3.38 71.23 37.47 0.00 0.00
551
+ ATOM 551 C PTH 1 3.38 71.23 38.47 0.00 0.00
552
+ ATOM 552 C PTH 1 3.38 71.23 39.47 0.00 0.00
553
+ ATOM 553 C PTH 1 3.38 71.23 40.47 0.00 0.00
554
+ ATOM 554 C PTH 1 3.38 71.23 41.47 0.00 0.00
555
+ ATOM 555 C PTH 1 3.38 71.23 42.47 0.00 0.00
556
+ ATOM 556 C PTH 1 3.38 71.23 43.47 0.00 0.00
557
+ ATOM 557 C PTH 1 3.38 72.23 34.47 0.00 0.00
558
+ ATOM 558 C PTH 1 3.38 72.23 35.47 0.00 0.00
559
+ ATOM 559 C PTH 1 3.38 72.23 36.47 0.00 0.00
560
+ ATOM 560 C PTH 1 3.38 72.23 37.47 0.00 0.00
561
+ ATOM 561 C PTH 1 3.38 72.23 38.47 0.00 0.00
562
+ ATOM 562 C PTH 1 3.38 72.23 39.47 0.00 0.00
563
+ ATOM 563 C PTH 1 3.38 72.23 40.47 0.00 0.00
564
+ ATOM 564 C PTH 1 3.38 72.23 41.47 0.00 0.00
565
+ ATOM 565 C PTH 1 3.38 72.23 42.47 0.00 0.00
566
+ ATOM 566 C PTH 1 3.38 72.23 43.47 0.00 0.00
567
+ ATOM 567 C PTH 1 3.38 73.23 34.47 0.00 0.00
568
+ ATOM 568 C PTH 1 3.38 73.23 35.47 0.00 0.00
569
+ ATOM 569 C PTH 1 3.38 73.23 36.47 0.00 0.00
570
+ ATOM 570 C PTH 1 3.38 73.23 37.47 0.00 0.00
571
+ ATOM 571 C PTH 1 3.38 73.23 38.47 0.00 0.00
572
+ ATOM 572 C PTH 1 3.38 73.23 39.47 0.00 0.00
573
+ ATOM 573 C PTH 1 3.38 73.23 40.47 0.00 0.00
574
+ ATOM 574 C PTH 1 3.38 73.23 41.47 0.00 0.00
575
+ ATOM 575 C PTH 1 3.38 73.23 42.47 0.00 0.00
576
+ ATOM 576 C PTH 1 3.38 74.23 34.47 0.00 0.00
577
+ ATOM 577 C PTH 1 3.38 74.23 35.47 0.00 0.00
578
+ ATOM 578 C PTH 1 3.38 74.23 36.47 0.00 0.00
579
+ ATOM 579 C PTH 1 3.38 74.23 37.47 0.00 0.00
580
+ ATOM 580 C PTH 1 3.38 74.23 38.47 0.00 0.00
581
+ ATOM 581 C PTH 1 3.38 74.23 39.47 0.00 0.00
582
+ ATOM 582 C PTH 1 3.38 74.23 40.47 0.00 0.00
583
+ ATOM 583 C PTH 1 3.38 74.23 41.47 0.00 0.00
584
+ ATOM 584 C PTH 1 3.38 74.23 42.47 0.00 0.00
585
+ ATOM 585 C PTH 1 3.38 75.23 34.47 0.00 0.00
586
+ ATOM 586 C PTH 1 3.38 75.23 35.47 0.00 0.00
587
+ ATOM 587 C PTH 1 3.38 75.23 36.47 0.00 0.00
588
+ ATOM 588 C PTH 1 3.38 75.23 37.47 0.00 0.00
589
+ ATOM 589 C PTH 1 3.38 75.23 38.47 0.00 0.00
590
+ ATOM 590 C PTH 1 3.38 75.23 39.47 0.00 0.00
591
+ ATOM 591 C PTH 1 3.38 75.23 40.47 0.00 0.00
592
+ ATOM 592 C PTH 1 3.38 75.23 41.47 0.00 0.00
593
+ ATOM 593 C PTH 1 3.38 75.23 42.47 0.00 0.00
594
+ ATOM 594 C PTH 1 3.38 76.23 34.47 0.00 0.00
595
+ ATOM 595 C PTH 1 3.38 76.23 35.47 0.00 0.00
596
+ ATOM 596 C PTH 1 3.38 76.23 36.47 0.00 0.00
597
+ ATOM 597 C PTH 1 3.38 76.23 37.47 0.00 0.00
598
+ ATOM 598 C PTH 1 3.38 76.23 38.47 0.00 0.00
599
+ ATOM 599 C PTH 1 3.38 76.23 39.47 0.00 0.00
600
+ ATOM 600 C PTH 1 3.38 76.23 40.47 0.00 0.00
601
+ ATOM 601 C PTH 1 3.38 76.23 41.47 0.00 0.00
602
+ ATOM 602 C PTH 1 3.38 76.23 42.47 0.00 0.00
603
+ ATOM 603 C PTH 1 3.38 77.23 39.47 0.00 0.00
604
+ ATOM 604 C PTH 1 3.38 77.23 40.47 0.00 0.00
605
+ ATOM 605 C PTH 1 3.38 77.23 41.47 0.00 0.00
606
+ ATOM 606 C PTH 1 3.38 77.23 42.47 0.00 0.00
607
+ ATOM 607 C PTH 1 4.38 70.23 39.47 0.00 0.00
608
+ ATOM 608 C PTH 1 4.38 70.23 40.47 0.00 0.00
609
+ ATOM 609 C PTH 1 4.38 70.23 41.47 0.00 0.00
610
+ ATOM 610 C PTH 1 4.38 70.23 42.47 0.00 0.00
611
+ ATOM 611 C PTH 1 4.38 71.23 37.47 0.00 0.00
612
+ ATOM 612 C PTH 1 4.38 71.23 38.47 0.00 0.00
613
+ ATOM 613 C PTH 1 4.38 71.23 39.47 0.00 0.00
614
+ ATOM 614 C PTH 1 4.38 71.23 40.47 0.00 0.00
615
+ ATOM 615 C PTH 1 4.38 71.23 41.47 0.00 0.00
616
+ ATOM 616 C PTH 1 4.38 71.23 42.47 0.00 0.00
617
+ ATOM 617 C PTH 1 4.38 72.23 34.47 0.00 0.00
618
+ ATOM 618 C PTH 1 4.38 72.23 35.47 0.00 0.00
619
+ ATOM 619 C PTH 1 4.38 72.23 36.47 0.00 0.00
620
+ ATOM 620 C PTH 1 4.38 72.23 37.47 0.00 0.00
621
+ ATOM 621 C PTH 1 4.38 72.23 38.47 0.00 0.00
622
+ ATOM 622 C PTH 1 4.38 72.23 39.47 0.00 0.00
623
+ ATOM 623 C PTH 1 4.38 72.23 40.47 0.00 0.00
624
+ ATOM 624 C PTH 1 4.38 72.23 41.47 0.00 0.00
625
+ ATOM 625 C PTH 1 4.38 73.23 34.47 0.00 0.00
626
+ ATOM 626 C PTH 1 4.38 73.23 35.47 0.00 0.00
627
+ ATOM 627 C PTH 1 4.38 73.23 36.47 0.00 0.00
628
+ ATOM 628 C PTH 1 4.38 73.23 37.47 0.00 0.00
629
+ ATOM 629 C PTH 1 4.38 73.23 38.47 0.00 0.00
630
+ ATOM 630 C PTH 1 4.38 73.23 39.47 0.00 0.00
631
+ ATOM 631 C PTH 1 4.38 73.23 40.47 0.00 0.00
632
+ ATOM 632 C PTH 1 4.38 73.23 41.47 0.00 0.00
633
+ ATOM 633 C PTH 1 4.38 74.23 34.47 0.00 0.00
634
+ ATOM 634 C PTH 1 4.38 74.23 35.47 0.00 0.00
635
+ ATOM 635 C PTH 1 4.38 74.23 36.47 0.00 0.00
636
+ ATOM 636 C PTH 1 4.38 74.23 37.47 0.00 0.00
637
+ ATOM 637 C PTH 1 4.38 74.23 38.47 0.00 0.00
638
+ ATOM 638 C PTH 1 4.38 74.23 39.47 0.00 0.00
639
+ ATOM 639 C PTH 1 4.38 74.23 40.47 0.00 0.00
640
+ ATOM 640 C PTH 1 4.38 74.23 41.47 0.00 0.00
641
+ ATOM 641 C PTH 1 4.38 75.23 33.47 0.00 0.00
642
+ ATOM 642 C PTH 1 4.38 75.23 34.47 0.00 0.00
643
+ ATOM 643 C PTH 1 4.38 75.23 35.47 0.00 0.00
644
+ ATOM 644 C PTH 1 4.38 75.23 36.47 0.00 0.00
645
+ ATOM 645 C PTH 1 4.38 75.23 37.47 0.00 0.00
646
+ ATOM 646 C PTH 1 4.38 75.23 38.47 0.00 0.00
647
+ ATOM 647 C PTH 1 4.38 75.23 39.47 0.00 0.00
648
+ ATOM 648 C PTH 1 4.38 75.23 40.47 0.00 0.00
649
+ ATOM 649 C PTH 1 4.38 76.23 33.47 0.00 0.00
650
+ ATOM 650 C PTH 1 4.38 76.23 34.47 0.00 0.00
651
+ ATOM 651 C PTH 1 4.38 76.23 35.47 0.00 0.00
652
+ ATOM 652 C PTH 1 4.38 76.23 36.47 0.00 0.00
653
+ ATOM 653 C PTH 1 4.38 76.23 37.47 0.00 0.00
654
+ ATOM 654 C PTH 1 4.38 76.23 38.47 0.00 0.00
655
+ ATOM 655 C PTH 1 4.38 76.23 39.47 0.00 0.00
656
+ ATOM 656 C PTH 1 4.38 76.23 40.47 0.00 0.00
657
+ ATOM 657 C PTH 1 4.38 77.23 33.47 0.00 0.00
658
+ ATOM 658 C PTH 1 4.38 77.23 34.47 0.00 0.00
659
+ ATOM 659 C PTH 1 4.38 77.23 35.47 0.00 0.00
660
+ ATOM 660 C PTH 1 4.38 77.23 36.47 0.00 0.00
661
+ ATOM 661 C PTH 1 4.38 77.23 37.47 0.00 0.00
662
+ ATOM 662 C PTH 1 4.38 77.23 38.47 0.00 0.00
663
+ ATOM 663 C PTH 1 4.38 77.23 39.47 0.00 0.00
664
+ ATOM 664 C PTH 1 4.38 77.23 40.47 0.00 0.00
665
+ ATOM 665 C PTH 1 4.38 77.23 41.47 0.00 0.00
666
+ ATOM 666 C PTH 1 4.38 77.23 42.47 0.00 0.00
667
+ ATOM 667 C PTH 1 4.38 78.23 34.47 0.00 0.00
668
+ ATOM 668 C PTH 1 4.38 78.23 35.47 0.00 0.00
669
+ ATOM 669 C PTH 1 5.38 70.23 39.47 0.00 0.00
670
+ ATOM 670 C PTH 1 5.38 70.23 40.47 0.00 0.00
671
+ ATOM 671 C PTH 1 5.38 70.23 41.47 0.00 0.00
672
+ ATOM 672 C PTH 1 5.38 71.23 37.47 0.00 0.00
673
+ ATOM 673 C PTH 1 5.38 71.23 38.47 0.00 0.00
674
+ ATOM 674 C PTH 1 5.38 71.23 39.47 0.00 0.00
675
+ ATOM 675 C PTH 1 5.38 71.23 40.47 0.00 0.00
676
+ ATOM 676 C PTH 1 5.38 71.23 41.47 0.00 0.00
677
+ ATOM 677 C PTH 1 5.38 72.23 36.47 0.00 0.00
678
+ ATOM 678 C PTH 1 5.38 72.23 37.47 0.00 0.00
679
+ ATOM 679 C PTH 1 5.38 72.23 38.47 0.00 0.00
680
+ ATOM 680 C PTH 1 5.38 72.23 39.47 0.00 0.00
681
+ ATOM 681 C PTH 1 5.38 72.23 40.47 0.00 0.00
682
+ ATOM 682 C PTH 1 5.38 73.23 34.47 0.00 0.00
683
+ ATOM 683 C PTH 1 5.38 73.23 35.47 0.00 0.00
684
+ ATOM 684 C PTH 1 5.38 73.23 36.47 0.00 0.00
685
+ ATOM 685 C PTH 1 5.38 73.23 37.47 0.00 0.00
686
+ ATOM 686 C PTH 1 5.38 73.23 38.47 0.00 0.00
687
+ ATOM 687 C PTH 1 5.38 73.23 39.47 0.00 0.00
688
+ ATOM 688 C PTH 1 5.38 73.23 40.47 0.00 0.00
689
+ ATOM 689 C PTH 1 5.38 74.23 34.47 0.00 0.00
690
+ ATOM 690 C PTH 1 5.38 74.23 35.47 0.00 0.00
691
+ ATOM 691 C PTH 1 5.38 74.23 36.47 0.00 0.00
692
+ ATOM 692 C PTH 1 5.38 74.23 37.47 0.00 0.00
693
+ ATOM 693 C PTH 1 5.38 74.23 38.47 0.00 0.00
694
+ ATOM 694 C PTH 1 5.38 74.23 39.47 0.00 0.00
695
+ ATOM 695 C PTH 1 5.38 74.23 40.47 0.00 0.00
696
+ ATOM 696 C PTH 1 5.38 75.23 33.47 0.00 0.00
697
+ ATOM 697 C PTH 1 5.38 75.23 34.47 0.00 0.00
698
+ ATOM 698 C PTH 1 5.38 75.23 35.47 0.00 0.00
699
+ ATOM 699 C PTH 1 5.38 75.23 36.47 0.00 0.00
700
+ ATOM 700 C PTH 1 5.38 75.23 37.47 0.00 0.00
701
+ ATOM 701 C PTH 1 5.38 75.23 38.47 0.00 0.00
702
+ ATOM 702 C PTH 1 5.38 75.23 39.47 0.00 0.00
703
+ ATOM 703 C PTH 1 5.38 76.23 32.47 0.00 0.00
704
+ ATOM 704 C PTH 1 5.38 76.23 33.47 0.00 0.00
705
+ ATOM 705 C PTH 1 5.38 76.23 34.47 0.00 0.00
706
+ ATOM 706 C PTH 1 5.38 76.23 35.47 0.00 0.00
707
+ ATOM 707 C PTH 1 5.38 76.23 36.47 0.00 0.00
708
+ ATOM 708 C PTH 1 5.38 76.23 37.47 0.00 0.00
709
+ ATOM 709 C PTH 1 5.38 76.23 38.47 0.00 0.00
710
+ ATOM 710 C PTH 1 5.38 77.23 32.47 0.00 0.00
711
+ ATOM 711 C PTH 1 5.38 77.23 33.47 0.00 0.00
712
+ ATOM 712 C PTH 1 5.38 77.23 34.47 0.00 0.00
713
+ ATOM 713 C PTH 1 5.38 77.23 35.47 0.00 0.00
714
+ ATOM 714 C PTH 1 5.38 77.23 36.47 0.00 0.00
715
+ ATOM 715 C PTH 1 5.38 77.23 37.47 0.00 0.00
716
+ ATOM 716 C PTH 1 5.38 78.23 32.47 0.00 0.00
717
+ ATOM 717 C PTH 1 5.38 78.23 33.47 0.00 0.00
718
+ ATOM 718 C PTH 1 5.38 78.23 34.47 0.00 0.00
719
+ ATOM 719 C PTH 1 5.38 78.23 35.47 0.00 0.00
720
+ ATOM 720 C PTH 1 5.38 79.23 32.47 0.00 0.00
721
+ ATOM 721 C PTH 1 5.38 79.23 33.47 0.00 0.00
722
+ ATOM 722 C PTH 1 5.38 79.23 34.47 0.00 0.00
723
+ ATOM 723 C PTH 1 5.38 79.23 35.47 0.00 0.00
724
+ ATOM 724 C PTH 1 6.38 70.23 39.47 0.00 0.00
725
+ ATOM 725 C PTH 1 6.38 70.23 40.47 0.00 0.00
726
+ ATOM 726 C PTH 1 6.38 71.23 38.47 0.00 0.00
727
+ ATOM 727 C PTH 1 6.38 71.23 39.47 0.00 0.00
728
+ ATOM 728 C PTH 1 6.38 71.23 40.47 0.00 0.00
729
+ ATOM 729 C PTH 1 6.38 71.23 41.47 0.00 0.00
730
+ ATOM 730 C PTH 1 6.38 72.23 38.47 0.00 0.00
731
+ ATOM 731 C PTH 1 6.38 72.23 39.47 0.00 0.00
732
+ ATOM 732 C PTH 1 6.38 72.23 40.47 0.00 0.00
733
+ ATOM 733 C PTH 1 6.38 72.23 41.47 0.00 0.00
734
+ ATOM 734 C PTH 1 6.38 73.23 36.47 0.00 0.00
735
+ ATOM 735 C PTH 1 6.38 73.23 37.47 0.00 0.00
736
+ ATOM 736 C PTH 1 6.38 73.23 38.47 0.00 0.00
737
+ ATOM 737 C PTH 1 6.38 73.23 39.47 0.00 0.00
738
+ ATOM 738 C PTH 1 6.38 73.23 40.47 0.00 0.00
739
+ ATOM 739 C PTH 1 6.38 74.23 34.47 0.00 0.00
740
+ ATOM 740 C PTH 1 6.38 74.23 35.47 0.00 0.00
741
+ ATOM 741 C PTH 1 6.38 74.23 36.47 0.00 0.00
742
+ ATOM 742 C PTH 1 6.38 74.23 37.47 0.00 0.00
743
+ ATOM 743 C PTH 1 6.38 74.23 38.47 0.00 0.00
744
+ ATOM 744 C PTH 1 6.38 74.23 39.47 0.00 0.00
745
+ ATOM 745 C PTH 1 6.38 74.23 40.47 0.00 0.00
746
+ ATOM 746 C PTH 1 6.38 75.23 32.47 0.00 0.00
747
+ ATOM 747 C PTH 1 6.38 75.23 33.47 0.00 0.00
748
+ ATOM 748 C PTH 1 6.38 75.23 34.47 0.00 0.00
749
+ ATOM 749 C PTH 1 6.38 75.23 35.47 0.00 0.00
750
+ ATOM 750 C PTH 1 6.38 75.23 36.47 0.00 0.00
751
+ ATOM 751 C PTH 1 6.38 75.23 37.47 0.00 0.00
752
+ ATOM 752 C PTH 1 6.38 75.23 38.47 0.00 0.00
753
+ ATOM 753 C PTH 1 6.38 76.23 31.47 0.00 0.00
754
+ ATOM 754 C PTH 1 6.38 76.23 32.47 0.00 0.00
755
+ ATOM 755 C PTH 1 6.38 76.23 33.47 0.00 0.00
756
+ ATOM 756 C PTH 1 6.38 76.23 34.47 0.00 0.00
757
+ ATOM 757 C PTH 1 6.38 76.23 35.47 0.00 0.00
758
+ ATOM 758 C PTH 1 6.38 76.23 36.47 0.00 0.00
759
+ ATOM 759 C PTH 1 6.38 76.23 37.47 0.00 0.00
760
+ ATOM 760 C PTH 1 6.38 77.23 31.47 0.00 0.00
761
+ ATOM 761 C PTH 1 6.38 77.23 32.47 0.00 0.00
762
+ ATOM 762 C PTH 1 6.38 77.23 33.47 0.00 0.00
763
+ ATOM 763 C PTH 1 6.38 77.23 34.47 0.00 0.00
764
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765
+ ATOM 765 C PTH 1 6.38 77.23 36.47 0.00 0.00
766
+ ATOM 766 C PTH 1 6.38 77.23 37.47 0.00 0.00
767
+ ATOM 767 C PTH 1 6.38 78.23 31.47 0.00 0.00
768
+ ATOM 768 C PTH 1 6.38 78.23 32.47 0.00 0.00
769
+ ATOM 769 C PTH 1 6.38 78.23 33.47 0.00 0.00
770
+ ATOM 770 C PTH 1 6.38 78.23 34.47 0.00 0.00
771
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772
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773
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774
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775
+ ATOM 775 C PTH 1 6.38 79.23 34.47 0.00 0.00
776
+ ATOM 776 C PTH 1 6.38 79.23 35.47 0.00 0.00
777
+ ATOM 777 C PTH 1 6.38 80.23 32.47 0.00 0.00
778
+ ATOM 778 C PTH 1 6.38 80.23 33.47 0.00 0.00
779
+ ATOM 779 C PTH 1 6.38 80.23 34.47 0.00 0.00
780
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781
+ ATOM 781 C PTH 1 7.38 71.23 40.47 0.00 0.00
782
+ ATOM 782 C PTH 1 7.38 72.23 40.47 0.00 0.00
783
+ ATOM 783 C PTH 1 7.38 75.23 32.47 0.00 0.00
784
+ ATOM 784 C PTH 1 7.38 75.23 33.47 0.00 0.00
785
+ ATOM 785 C PTH 1 7.38 75.23 34.47 0.00 0.00
786
+ ATOM 786 C PTH 1 7.38 75.23 35.47 0.00 0.00
787
+ ATOM 787 C PTH 1 7.38 75.23 36.47 0.00 0.00
788
+ ATOM 788 C PTH 1 7.38 76.23 30.47 0.00 0.00
789
+ ATOM 789 C PTH 1 7.38 76.23 31.47 0.00 0.00
790
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791
+ ATOM 791 C PTH 1 7.38 76.23 33.47 0.00 0.00
792
+ ATOM 792 C PTH 1 7.38 76.23 34.47 0.00 0.00
793
+ ATOM 793 C PTH 1 7.38 76.23 35.47 0.00 0.00
794
+ ATOM 794 C PTH 1 7.38 76.23 36.47 0.00 0.00
795
+ ATOM 795 C PTH 1 7.38 77.23 30.47 0.00 0.00
796
+ ATOM 796 C PTH 1 7.38 77.23 31.47 0.00 0.00
797
+ ATOM 797 C PTH 1 7.38 77.23 32.47 0.00 0.00
798
+ ATOM 798 C PTH 1 7.38 77.23 33.47 0.00 0.00
799
+ ATOM 799 C PTH 1 7.38 77.23 34.47 0.00 0.00
800
+ ATOM 800 C PTH 1 7.38 77.23 35.47 0.00 0.00
801
+ ATOM 801 C PTH 1 7.38 77.23 36.47 0.00 0.00
802
+ ATOM 802 C PTH 1 7.38 78.23 30.47 0.00 0.00
803
+ ATOM 803 C PTH 1 7.38 78.23 31.47 0.00 0.00
804
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805
+ ATOM 805 C PTH 1 7.38 78.23 33.47 0.00 0.00
806
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807
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808
+ ATOM 808 C PTH 1 7.38 79.23 30.47 0.00 0.00
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 7.38 79.23 35.47 0.00 0.00
814
+ ATOM 814 C PTH 1 7.38 80.23 31.47 0.00 0.00
815
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816
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817
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818
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819
+ ATOM 819 C PTH 1 7.38 81.23 31.47 0.00 0.00
820
+ ATOM 820 C PTH 1 7.38 81.23 32.47 0.00 0.00
821
+ ATOM 821 C PTH 1 7.38 81.23 33.47 0.00 0.00
822
+ ATOM 822 C PTH 1 7.38 81.23 34.47 0.00 0.00
823
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824
+ ATOM 824 C PTH 1 8.38 75.23 30.47 0.00 0.00
825
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826
+ ATOM 826 C PTH 1 8.38 75.23 32.47 0.00 0.00
827
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828
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829
+ ATOM 829 C PTH 1 8.38 76.23 30.47 0.00 0.00
830
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831
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832
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833
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834
+ ATOM 834 C PTH 1 8.38 76.23 35.47 0.00 0.00
835
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836
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837
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838
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839
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840
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841
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842
+ ATOM 842 C PTH 1 8.38 78.23 30.47 0.00 0.00
843
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844
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845
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846
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847
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848
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849
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850
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851
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852
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853
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854
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855
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856
+ ATOM 856 C PTH 1 8.38 80.23 33.47 0.00 0.00
857
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858
+ ATOM 858 C PTH 1 8.38 80.23 35.47 0.00 0.00
859
+ ATOM 859 C PTH 1 8.38 81.23 31.47 0.00 0.00
860
+ ATOM 860 C PTH 1 8.38 81.23 32.47 0.00 0.00
861
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862
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863
+ ATOM 863 C PTH 1 8.38 81.23 35.47 0.00 0.00
864
+ ATOM 864 C PTH 1 9.38 76.23 30.47 0.00 0.00
865
+ ATOM 865 C PTH 1 9.38 76.23 31.47 0.00 0.00
866
+ ATOM 866 C PTH 1 9.38 76.23 32.47 0.00 0.00
867
+ ATOM 867 C PTH 1 9.38 76.23 33.47 0.00 0.00
868
+ ATOM 868 C PTH 1 9.38 76.23 34.47 0.00 0.00
869
+ ATOM 869 C PTH 1 9.38 77.23 30.47 0.00 0.00
870
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871
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872
+ ATOM 872 C PTH 1 9.38 77.23 33.47 0.00 0.00
873
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874
+ ATOM 874 C PTH 1 9.38 77.23 35.47 0.00 0.00
875
+ ATOM 875 C PTH 1 9.38 78.23 29.47 0.00 0.00
876
+ ATOM 876 C PTH 1 9.38 78.23 30.47 0.00 0.00
877
+ ATOM 877 C PTH 1 9.38 78.23 31.47 0.00 0.00
878
+ ATOM 878 C PTH 1 9.38 78.23 32.47 0.00 0.00
879
+ ATOM 879 C PTH 1 9.38 78.23 33.47 0.00 0.00
880
+ ATOM 880 C PTH 1 9.38 78.23 34.47 0.00 0.00
881
+ ATOM 881 C PTH 1 9.38 78.23 35.47 0.00 0.00
882
+ ATOM 882 C PTH 1 9.38 78.23 36.47 0.00 0.00
883
+ ATOM 883 C PTH 1 9.38 79.23 30.47 0.00 0.00
884
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885
+ ATOM 885 C PTH 1 9.38 79.23 32.47 0.00 0.00
886
+ ATOM 886 C PTH 1 9.38 79.23 33.47 0.00 0.00
887
+ ATOM 887 C PTH 1 9.38 79.23 34.47 0.00 0.00
888
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889
+ ATOM 889 C PTH 1 9.38 79.23 36.47 0.00 0.00
890
+ ATOM 890 C PTH 1 9.38 79.23 37.47 0.00 0.00
891
+ ATOM 891 C PTH 1 9.38 80.23 30.47 0.00 0.00
892
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893
+ ATOM 893 C PTH 1 9.38 80.23 32.47 0.00 0.00
894
+ ATOM 894 C PTH 1 9.38 80.23 33.47 0.00 0.00
895
+ ATOM 895 C PTH 1 9.38 80.23 34.47 0.00 0.00
896
+ ATOM 896 C PTH 1 9.38 80.23 35.47 0.00 0.00
897
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898
+ ATOM 898 C PTH 1 9.38 81.23 31.47 0.00 0.00
899
+ ATOM 899 C PTH 1 9.38 81.23 32.47 0.00 0.00
900
+ ATOM 900 C PTH 1 10.38 77.23 30.47 0.00 0.00
901
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902
+ ATOM 902 C PTH 1 10.38 77.23 32.47 0.00 0.00
903
+ ATOM 903 C PTH 1 10.38 77.23 33.47 0.00 0.00
904
+ ATOM 904 C PTH 1 10.38 77.23 34.47 0.00 0.00
905
+ ATOM 905 C PTH 1 10.38 77.23 35.47 0.00 0.00
906
+ ATOM 906 C PTH 1 10.38 78.23 29.47 0.00 0.00
907
+ ATOM 907 C PTH 1 10.38 78.23 30.47 0.00 0.00
908
+ ATOM 908 C PTH 1 10.38 78.23 31.47 0.00 0.00
909
+ ATOM 909 C PTH 1 10.38 78.23 32.47 0.00 0.00
910
+ ATOM 910 C PTH 1 10.38 78.23 33.47 0.00 0.00
911
+ ATOM 911 C PTH 1 10.38 78.23 34.47 0.00 0.00
912
+ ATOM 912 C PTH 1 10.38 78.23 35.47 0.00 0.00
913
+ ATOM 913 C PTH 1 10.38 78.23 36.47 0.00 0.00
914
+ ATOM 914 C PTH 1 10.38 79.23 30.47 0.00 0.00
915
+ ATOM 915 C PTH 1 10.38 79.23 31.47 0.00 0.00
916
+ ATOM 916 C PTH 1 10.38 79.23 32.47 0.00 0.00
917
+ ATOM 917 C PTH 1 10.38 79.23 33.47 0.00 0.00
918
+ ATOM 918 C PTH 1 10.38 79.23 34.47 0.00 0.00
919
+ ATOM 919 C PTH 1 10.38 79.23 35.47 0.00 0.00
920
+ ATOM 920 C PTH 1 10.38 79.23 36.47 0.00 0.00
921
+ ATOM 921 C PTH 1 10.38 80.23 31.47 0.00 0.00
922
+ ATOM 922 C PTH 1 10.38 80.23 32.47 0.00 0.00
923
+ ATOM 923 C PTH 1 10.38 80.23 33.47 0.00 0.00
924
+ ATOM 924 C PTH 1 10.38 80.23 34.47 0.00 0.00
data/files/A000H/pocket_02.pdb ADDED
@@ -0,0 +1,356 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 -13.62 67.23 32.47 0.00 0.00
2
+ ATOM 2 C PTH 1 -13.62 67.23 33.47 0.00 0.00
3
+ ATOM 3 C PTH 1 -13.62 67.23 34.47 0.00 0.00
4
+ ATOM 4 C PTH 1 -13.62 68.23 32.47 0.00 0.00
5
+ ATOM 5 C PTH 1 -13.62 68.23 33.47 0.00 0.00
6
+ ATOM 6 C PTH 1 -13.62 68.23 34.47 0.00 0.00
7
+ ATOM 7 C PTH 1 -13.62 68.23 35.47 0.00 0.00
8
+ ATOM 8 C PTH 1 -13.62 69.23 32.47 0.00 0.00
9
+ ATOM 9 C PTH 1 -13.62 69.23 33.47 0.00 0.00
10
+ ATOM 10 C PTH 1 -13.62 69.23 34.47 0.00 0.00
11
+ ATOM 11 C PTH 1 -13.62 69.23 35.47 0.00 0.00
12
+ ATOM 12 C PTH 1 -13.62 70.23 32.47 0.00 0.00
13
+ ATOM 13 C PTH 1 -13.62 70.23 33.47 0.00 0.00
14
+ ATOM 14 C PTH 1 -13.62 70.23 34.47 0.00 0.00
15
+ ATOM 15 C PTH 1 -12.62 64.23 31.47 0.00 0.00
16
+ ATOM 16 C PTH 1 -12.62 64.23 32.47 0.00 0.00
17
+ ATOM 17 C PTH 1 -12.62 65.23 31.47 0.00 0.00
18
+ ATOM 18 C PTH 1 -12.62 65.23 32.47 0.00 0.00
19
+ ATOM 19 C PTH 1 -12.62 65.23 33.47 0.00 0.00
20
+ ATOM 20 C PTH 1 -12.62 66.23 31.47 0.00 0.00
21
+ ATOM 21 C PTH 1 -12.62 66.23 32.47 0.00 0.00
22
+ ATOM 22 C PTH 1 -12.62 66.23 33.47 0.00 0.00
23
+ ATOM 23 C PTH 1 -12.62 66.23 34.47 0.00 0.00
24
+ ATOM 24 C PTH 1 -12.62 67.23 31.47 0.00 0.00
25
+ ATOM 25 C PTH 1 -12.62 67.23 32.47 0.00 0.00
26
+ ATOM 26 C PTH 1 -12.62 67.23 33.47 0.00 0.00
27
+ ATOM 27 C PTH 1 -12.62 67.23 34.47 0.00 0.00
28
+ ATOM 28 C PTH 1 -12.62 67.23 35.47 0.00 0.00
29
+ ATOM 29 C PTH 1 -12.62 68.23 31.47 0.00 0.00
30
+ ATOM 30 C PTH 1 -12.62 68.23 32.47 0.00 0.00
31
+ ATOM 31 C PTH 1 -12.62 68.23 33.47 0.00 0.00
32
+ ATOM 32 C PTH 1 -12.62 68.23 34.47 0.00 0.00
33
+ ATOM 33 C PTH 1 -12.62 68.23 35.47 0.00 0.00
34
+ ATOM 34 C PTH 1 -12.62 69.23 31.47 0.00 0.00
35
+ ATOM 35 C PTH 1 -12.62 69.23 32.47 0.00 0.00
36
+ ATOM 36 C PTH 1 -12.62 69.23 33.47 0.00 0.00
37
+ ATOM 37 C PTH 1 -12.62 69.23 34.47 0.00 0.00
38
+ ATOM 38 C PTH 1 -12.62 69.23 35.47 0.00 0.00
39
+ ATOM 39 C PTH 1 -12.62 70.23 31.47 0.00 0.00
40
+ ATOM 40 C PTH 1 -12.62 70.23 32.47 0.00 0.00
41
+ ATOM 41 C PTH 1 -12.62 70.23 33.47 0.00 0.00
42
+ ATOM 42 C PTH 1 -12.62 70.23 34.47 0.00 0.00
43
+ ATOM 43 C PTH 1 -12.62 70.23 35.47 0.00 0.00
44
+ ATOM 44 C PTH 1 -11.62 63.23 30.47 0.00 0.00
45
+ ATOM 45 C PTH 1 -11.62 63.23 31.47 0.00 0.00
46
+ ATOM 46 C PTH 1 -11.62 63.23 32.47 0.00 0.00
47
+ ATOM 47 C PTH 1 -11.62 64.23 28.47 0.00 0.00
48
+ ATOM 48 C PTH 1 -11.62 64.23 29.47 0.00 0.00
49
+ ATOM 49 C PTH 1 -11.62 64.23 30.47 0.00 0.00
50
+ ATOM 50 C PTH 1 -11.62 64.23 31.47 0.00 0.00
51
+ ATOM 51 C PTH 1 -11.62 64.23 32.47 0.00 0.00
52
+ ATOM 52 C PTH 1 -11.62 64.23 33.47 0.00 0.00
53
+ ATOM 53 C PTH 1 -11.62 65.23 28.47 0.00 0.00
54
+ ATOM 54 C PTH 1 -11.62 65.23 29.47 0.00 0.00
55
+ ATOM 55 C PTH 1 -11.62 65.23 30.47 0.00 0.00
56
+ ATOM 56 C PTH 1 -11.62 65.23 31.47 0.00 0.00
57
+ ATOM 57 C PTH 1 -11.62 65.23 32.47 0.00 0.00
58
+ ATOM 58 C PTH 1 -11.62 65.23 33.47 0.00 0.00
59
+ ATOM 59 C PTH 1 -11.62 66.23 29.47 0.00 0.00
60
+ ATOM 60 C PTH 1 -11.62 66.23 30.47 0.00 0.00
61
+ ATOM 61 C PTH 1 -11.62 66.23 31.47 0.00 0.00
62
+ ATOM 62 C PTH 1 -11.62 66.23 32.47 0.00 0.00
63
+ ATOM 63 C PTH 1 -11.62 66.23 33.47 0.00 0.00
64
+ ATOM 64 C PTH 1 -11.62 66.23 34.47 0.00 0.00
65
+ ATOM 65 C PTH 1 -11.62 67.23 30.47 0.00 0.00
66
+ ATOM 66 C PTH 1 -11.62 67.23 31.47 0.00 0.00
67
+ ATOM 67 C PTH 1 -11.62 67.23 32.47 0.00 0.00
68
+ ATOM 68 C PTH 1 -11.62 67.23 33.47 0.00 0.00
69
+ ATOM 69 C PTH 1 -11.62 67.23 34.47 0.00 0.00
70
+ ATOM 70 C PTH 1 -11.62 67.23 35.47 0.00 0.00
71
+ ATOM 71 C PTH 1 -11.62 68.23 30.47 0.00 0.00
72
+ ATOM 72 C PTH 1 -11.62 68.23 31.47 0.00 0.00
73
+ ATOM 73 C PTH 1 -11.62 68.23 32.47 0.00 0.00
74
+ ATOM 74 C PTH 1 -11.62 68.23 33.47 0.00 0.00
75
+ ATOM 75 C PTH 1 -11.62 68.23 34.47 0.00 0.00
76
+ ATOM 76 C PTH 1 -11.62 68.23 35.47 0.00 0.00
77
+ ATOM 77 C PTH 1 -11.62 69.23 31.47 0.00 0.00
78
+ ATOM 78 C PTH 1 -11.62 69.23 32.47 0.00 0.00
79
+ ATOM 79 C PTH 1 -11.62 69.23 33.47 0.00 0.00
80
+ ATOM 80 C PTH 1 -11.62 69.23 34.47 0.00 0.00
81
+ ATOM 81 C PTH 1 -11.62 69.23 35.47 0.00 0.00
82
+ ATOM 82 C PTH 1 -11.62 70.23 31.47 0.00 0.00
83
+ ATOM 83 C PTH 1 -11.62 70.23 32.47 0.00 0.00
84
+ ATOM 84 C PTH 1 -11.62 70.23 33.47 0.00 0.00
85
+ ATOM 85 C PTH 1 -11.62 70.23 34.47 0.00 0.00
86
+ ATOM 86 C PTH 1 -11.62 70.23 35.47 0.00 0.00
87
+ ATOM 87 C PTH 1 -11.62 71.23 32.47 0.00 0.00
88
+ ATOM 88 C PTH 1 -11.62 71.23 33.47 0.00 0.00
89
+ ATOM 89 C PTH 1 -11.62 71.23 34.47 0.00 0.00
90
+ ATOM 90 C PTH 1 -10.62 63.23 27.47 0.00 0.00
91
+ ATOM 91 C PTH 1 -10.62 63.23 28.47 0.00 0.00
92
+ ATOM 92 C PTH 1 -10.62 63.23 29.47 0.00 0.00
93
+ ATOM 93 C PTH 1 -10.62 63.23 30.47 0.00 0.00
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
+ ATOM 152 C PTH 1 -10.62 69.23 35.47 0.00 0.00
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
+ ATOM 174 C PTH 1 -9.62 64.23 31.47 0.00 0.00
175
+ ATOM 175 C PTH 1 -9.62 64.23 32.47 0.00 0.00
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
+ ATOM 181 C PTH 1 -9.62 65.23 30.47 0.00 0.00
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
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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
+ ATOM 355 C PTH 1 -7.62 72.23 27.47 0.00 0.00
356
+ ATOM 356 C PTH 1 -6.62 72.23 26.47 0.00 0.00
data/files/A000H/pocket_03.pdb ADDED
@@ -0,0 +1,342 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 0.38 67.23 16.47 0.00 0.00
2
+ ATOM 2 C PTH 1 1.38 64.23 18.47 0.00 0.00
3
+ ATOM 3 C PTH 1 1.38 64.23 19.47 0.00 0.00
4
+ ATOM 4 C PTH 1 1.38 64.23 20.47 0.00 0.00
5
+ ATOM 5 C PTH 1 1.38 65.23 16.47 0.00 0.00
6
+ ATOM 6 C PTH 1 1.38 65.23 17.47 0.00 0.00
7
+ ATOM 7 C PTH 1 1.38 65.23 18.47 0.00 0.00
8
+ ATOM 8 C PTH 1 1.38 65.23 19.47 0.00 0.00
9
+ ATOM 9 C PTH 1 1.38 66.23 13.47 0.00 0.00
10
+ ATOM 10 C PTH 1 1.38 66.23 14.47 0.00 0.00
11
+ ATOM 11 C PTH 1 1.38 66.23 15.47 0.00 0.00
12
+ ATOM 12 C PTH 1 1.38 66.23 16.47 0.00 0.00
13
+ ATOM 13 C PTH 1 1.38 66.23 17.47 0.00 0.00
14
+ ATOM 14 C PTH 1 1.38 66.23 18.47 0.00 0.00
15
+ ATOM 15 C PTH 1 1.38 67.23 13.47 0.00 0.00
16
+ ATOM 16 C PTH 1 1.38 67.23 14.47 0.00 0.00
17
+ ATOM 17 C PTH 1 1.38 67.23 15.47 0.00 0.00
18
+ ATOM 18 C PTH 1 1.38 67.23 16.47 0.00 0.00
19
+ ATOM 19 C PTH 1 1.38 67.23 17.47 0.00 0.00
20
+ ATOM 20 C PTH 1 1.38 67.23 18.47 0.00 0.00
21
+ ATOM 21 C PTH 1 1.38 68.23 14.47 0.00 0.00
22
+ ATOM 22 C PTH 1 1.38 68.23 15.47 0.00 0.00
23
+ ATOM 23 C PTH 1 1.38 68.23 16.47 0.00 0.00
24
+ ATOM 24 C PTH 1 1.38 68.23 17.47 0.00 0.00
25
+ ATOM 25 C PTH 1 1.38 68.23 18.47 0.00 0.00
26
+ ATOM 26 C PTH 1 1.38 69.23 14.47 0.00 0.00
27
+ ATOM 27 C PTH 1 1.38 69.23 15.47 0.00 0.00
28
+ ATOM 28 C PTH 1 1.38 69.23 16.47 0.00 0.00
29
+ ATOM 29 C PTH 1 1.38 69.23 17.47 0.00 0.00
30
+ ATOM 30 C PTH 1 1.38 69.23 18.47 0.00 0.00
31
+ ATOM 31 C PTH 1 1.38 70.23 15.47 0.00 0.00
32
+ ATOM 32 C PTH 1 1.38 70.23 16.47 0.00 0.00
33
+ ATOM 33 C PTH 1 1.38 70.23 17.47 0.00 0.00
34
+ ATOM 34 C PTH 1 2.38 64.23 18.47 0.00 0.00
35
+ ATOM 35 C PTH 1 2.38 64.23 19.47 0.00 0.00
36
+ ATOM 36 C PTH 1 2.38 64.23 20.47 0.00 0.00
37
+ ATOM 37 C PTH 1 2.38 65.23 14.47 0.00 0.00
38
+ ATOM 38 C PTH 1 2.38 65.23 15.47 0.00 0.00
39
+ ATOM 39 C PTH 1 2.38 65.23 16.47 0.00 0.00
40
+ ATOM 40 C PTH 1 2.38 65.23 17.47 0.00 0.00
41
+ ATOM 41 C PTH 1 2.38 65.23 18.47 0.00 0.00
42
+ ATOM 42 C PTH 1 2.38 65.23 19.47 0.00 0.00
43
+ ATOM 43 C PTH 1 2.38 65.23 20.47 0.00 0.00
44
+ ATOM 44 C PTH 1 2.38 66.23 12.47 0.00 0.00
45
+ ATOM 45 C PTH 1 2.38 66.23 13.47 0.00 0.00
46
+ ATOM 46 C PTH 1 2.38 66.23 14.47 0.00 0.00
47
+ ATOM 47 C PTH 1 2.38 66.23 15.47 0.00 0.00
48
+ ATOM 48 C PTH 1 2.38 66.23 16.47 0.00 0.00
49
+ ATOM 49 C PTH 1 2.38 66.23 17.47 0.00 0.00
50
+ ATOM 50 C PTH 1 2.38 66.23 18.47 0.00 0.00
51
+ ATOM 51 C PTH 1 2.38 66.23 19.47 0.00 0.00
52
+ ATOM 52 C PTH 1 2.38 67.23 11.47 0.00 0.00
53
+ ATOM 53 C PTH 1 2.38 67.23 12.47 0.00 0.00
54
+ ATOM 54 C PTH 1 2.38 67.23 13.47 0.00 0.00
55
+ ATOM 55 C PTH 1 2.38 67.23 14.47 0.00 0.00
56
+ ATOM 56 C PTH 1 2.38 67.23 15.47 0.00 0.00
57
+ ATOM 57 C PTH 1 2.38 67.23 16.47 0.00 0.00
58
+ ATOM 58 C PTH 1 2.38 67.23 17.47 0.00 0.00
59
+ ATOM 59 C PTH 1 2.38 67.23 18.47 0.00 0.00
60
+ ATOM 60 C PTH 1 2.38 67.23 19.47 0.00 0.00
61
+ ATOM 61 C PTH 1 2.38 68.23 11.47 0.00 0.00
62
+ ATOM 62 C PTH 1 2.38 68.23 12.47 0.00 0.00
63
+ ATOM 63 C PTH 1 2.38 68.23 13.47 0.00 0.00
64
+ ATOM 64 C PTH 1 2.38 68.23 14.47 0.00 0.00
65
+ ATOM 65 C PTH 1 2.38 68.23 15.47 0.00 0.00
66
+ ATOM 66 C PTH 1 2.38 68.23 16.47 0.00 0.00
67
+ ATOM 67 C PTH 1 2.38 68.23 17.47 0.00 0.00
68
+ ATOM 68 C PTH 1 2.38 68.23 18.47 0.00 0.00
69
+ ATOM 69 C PTH 1 2.38 68.23 19.47 0.00 0.00
70
+ ATOM 70 C PTH 1 2.38 69.23 11.47 0.00 0.00
71
+ ATOM 71 C PTH 1 2.38 69.23 12.47 0.00 0.00
72
+ ATOM 72 C PTH 1 2.38 69.23 13.47 0.00 0.00
73
+ ATOM 73 C PTH 1 2.38 69.23 14.47 0.00 0.00
74
+ ATOM 74 C PTH 1 2.38 69.23 15.47 0.00 0.00
75
+ ATOM 75 C PTH 1 2.38 69.23 16.47 0.00 0.00
76
+ ATOM 76 C PTH 1 2.38 69.23 17.47 0.00 0.00
77
+ ATOM 77 C PTH 1 2.38 69.23 18.47 0.00 0.00
78
+ ATOM 78 C PTH 1 2.38 69.23 19.47 0.00 0.00
79
+ ATOM 79 C PTH 1 2.38 70.23 12.47 0.00 0.00
80
+ ATOM 80 C PTH 1 2.38 70.23 13.47 0.00 0.00
81
+ ATOM 81 C PTH 1 2.38 70.23 14.47 0.00 0.00
82
+ ATOM 82 C PTH 1 2.38 70.23 15.47 0.00 0.00
83
+ ATOM 83 C PTH 1 2.38 70.23 16.47 0.00 0.00
84
+ ATOM 84 C PTH 1 2.38 70.23 17.47 0.00 0.00
85
+ ATOM 85 C PTH 1 2.38 71.23 13.47 0.00 0.00
86
+ ATOM 86 C PTH 1 2.38 71.23 14.47 0.00 0.00
87
+ ATOM 87 C PTH 1 3.38 64.23 18.47 0.00 0.00
88
+ ATOM 88 C PTH 1 3.38 64.23 19.47 0.00 0.00
89
+ ATOM 89 C PTH 1 3.38 65.23 14.47 0.00 0.00
90
+ ATOM 90 C PTH 1 3.38 65.23 15.47 0.00 0.00
91
+ ATOM 91 C PTH 1 3.38 65.23 16.47 0.00 0.00
92
+ ATOM 92 C PTH 1 3.38 65.23 17.47 0.00 0.00
93
+ ATOM 93 C PTH 1 3.38 65.23 18.47 0.00 0.00
94
+ ATOM 94 C PTH 1 3.38 65.23 19.47 0.00 0.00
95
+ ATOM 95 C PTH 1 3.38 65.23 21.47 0.00 0.00
96
+ ATOM 96 C PTH 1 3.38 66.23 11.47 0.00 0.00
97
+ ATOM 97 C PTH 1 3.38 66.23 12.47 0.00 0.00
98
+ ATOM 98 C PTH 1 3.38 66.23 13.47 0.00 0.00
99
+ ATOM 99 C PTH 1 3.38 66.23 14.47 0.00 0.00
100
+ ATOM 100 C PTH 1 3.38 66.23 15.47 0.00 0.00
101
+ ATOM 101 C PTH 1 3.38 66.23 16.47 0.00 0.00
102
+ ATOM 102 C PTH 1 3.38 66.23 17.47 0.00 0.00
103
+ ATOM 103 C PTH 1 3.38 66.23 18.47 0.00 0.00
104
+ ATOM 104 C PTH 1 3.38 66.23 19.47 0.00 0.00
105
+ ATOM 105 C PTH 1 3.38 66.23 20.47 0.00 0.00
106
+ ATOM 106 C PTH 1 3.38 67.23 11.47 0.00 0.00
107
+ ATOM 107 C PTH 1 3.38 67.23 12.47 0.00 0.00
108
+ ATOM 108 C PTH 1 3.38 67.23 13.47 0.00 0.00
109
+ ATOM 109 C PTH 1 3.38 67.23 14.47 0.00 0.00
110
+ ATOM 110 C PTH 1 3.38 67.23 15.47 0.00 0.00
111
+ ATOM 111 C PTH 1 3.38 67.23 16.47 0.00 0.00
112
+ ATOM 112 C PTH 1 3.38 67.23 17.47 0.00 0.00
113
+ ATOM 113 C PTH 1 3.38 67.23 18.47 0.00 0.00
114
+ ATOM 114 C PTH 1 3.38 67.23 19.47 0.00 0.00
115
+ ATOM 115 C PTH 1 3.38 67.23 20.47 0.00 0.00
116
+ ATOM 116 C PTH 1 3.38 67.23 21.47 0.00 0.00
117
+ ATOM 117 C PTH 1 3.38 68.23 11.47 0.00 0.00
118
+ ATOM 118 C PTH 1 3.38 68.23 12.47 0.00 0.00
119
+ ATOM 119 C PTH 1 3.38 68.23 13.47 0.00 0.00
120
+ ATOM 120 C PTH 1 3.38 68.23 14.47 0.00 0.00
121
+ ATOM 121 C PTH 1 3.38 68.23 15.47 0.00 0.00
122
+ ATOM 122 C PTH 1 3.38 68.23 16.47 0.00 0.00
123
+ ATOM 123 C PTH 1 3.38 68.23 17.47 0.00 0.00
124
+ ATOM 124 C PTH 1 3.38 68.23 18.47 0.00 0.00
125
+ ATOM 125 C PTH 1 3.38 68.23 19.47 0.00 0.00
126
+ ATOM 126 C PTH 1 3.38 68.23 20.47 0.00 0.00
127
+ ATOM 127 C PTH 1 3.38 68.23 21.47 0.00 0.00
128
+ ATOM 128 C PTH 1 3.38 69.23 11.47 0.00 0.00
129
+ ATOM 129 C PTH 1 3.38 69.23 12.47 0.00 0.00
130
+ ATOM 130 C PTH 1 3.38 69.23 13.47 0.00 0.00
131
+ ATOM 131 C PTH 1 3.38 69.23 14.47 0.00 0.00
132
+ ATOM 132 C PTH 1 3.38 69.23 15.47 0.00 0.00
133
+ ATOM 133 C PTH 1 3.38 69.23 16.47 0.00 0.00
134
+ ATOM 134 C PTH 1 3.38 69.23 17.47 0.00 0.00
135
+ ATOM 135 C PTH 1 3.38 69.23 18.47 0.00 0.00
136
+ ATOM 136 C PTH 1 3.38 69.23 19.47 0.00 0.00
137
+ ATOM 137 C PTH 1 3.38 69.23 20.47 0.00 0.00
138
+ ATOM 138 C PTH 1 3.38 69.23 21.47 0.00 0.00
139
+ ATOM 139 C PTH 1 3.38 70.23 12.47 0.00 0.00
140
+ ATOM 140 C PTH 1 3.38 70.23 13.47 0.00 0.00
141
+ ATOM 141 C PTH 1 3.38 70.23 14.47 0.00 0.00
142
+ ATOM 142 C PTH 1 3.38 70.23 15.47 0.00 0.00
143
+ ATOM 143 C PTH 1 3.38 70.23 16.47 0.00 0.00
144
+ ATOM 144 C PTH 1 3.38 70.23 17.47 0.00 0.00
145
+ ATOM 145 C PTH 1 3.38 70.23 18.47 0.00 0.00
146
+ ATOM 146 C PTH 1 3.38 70.23 19.47 0.00 0.00
147
+ ATOM 147 C PTH 1 3.38 71.23 13.47 0.00 0.00
148
+ ATOM 148 C PTH 1 3.38 71.23 14.47 0.00 0.00
149
+ ATOM 149 C PTH 1 3.38 71.23 15.47 0.00 0.00
150
+ ATOM 150 C PTH 1 4.38 64.23 17.47 0.00 0.00
151
+ ATOM 151 C PTH 1 4.38 65.23 15.47 0.00 0.00
152
+ ATOM 152 C PTH 1 4.38 65.23 16.47 0.00 0.00
153
+ ATOM 153 C PTH 1 4.38 65.23 17.47 0.00 0.00
154
+ ATOM 154 C PTH 1 4.38 65.23 18.47 0.00 0.00
155
+ ATOM 155 C PTH 1 4.38 65.23 19.47 0.00 0.00
156
+ ATOM 156 C PTH 1 4.38 66.23 11.47 0.00 0.00
157
+ ATOM 157 C PTH 1 4.38 66.23 12.47 0.00 0.00
158
+ ATOM 158 C PTH 1 4.38 66.23 13.47 0.00 0.00
159
+ ATOM 159 C PTH 1 4.38 66.23 14.47 0.00 0.00
160
+ ATOM 160 C PTH 1 4.38 66.23 15.47 0.00 0.00
161
+ ATOM 161 C PTH 1 4.38 66.23 16.47 0.00 0.00
162
+ ATOM 162 C PTH 1 4.38 66.23 17.47 0.00 0.00
163
+ ATOM 163 C PTH 1 4.38 66.23 18.47 0.00 0.00
164
+ ATOM 164 C PTH 1 4.38 66.23 19.47 0.00 0.00
165
+ ATOM 165 C PTH 1 4.38 66.23 20.47 0.00 0.00
166
+ ATOM 166 C PTH 1 4.38 66.23 21.47 0.00 0.00
167
+ ATOM 167 C PTH 1 4.38 67.23 10.47 0.00 0.00
168
+ ATOM 168 C PTH 1 4.38 67.23 11.47 0.00 0.00
169
+ ATOM 169 C PTH 1 4.38 67.23 12.47 0.00 0.00
170
+ ATOM 170 C PTH 1 4.38 67.23 13.47 0.00 0.00
171
+ ATOM 171 C PTH 1 4.38 67.23 14.47 0.00 0.00
172
+ ATOM 172 C PTH 1 4.38 67.23 15.47 0.00 0.00
173
+ ATOM 173 C PTH 1 4.38 67.23 16.47 0.00 0.00
174
+ ATOM 174 C PTH 1 4.38 67.23 17.47 0.00 0.00
175
+ ATOM 175 C PTH 1 4.38 67.23 18.47 0.00 0.00
176
+ ATOM 176 C PTH 1 4.38 67.23 19.47 0.00 0.00
177
+ ATOM 177 C PTH 1 4.38 67.23 20.47 0.00 0.00
178
+ ATOM 178 C PTH 1 4.38 67.23 21.47 0.00 0.00
179
+ ATOM 179 C PTH 1 4.38 67.23 22.47 0.00 0.00
180
+ ATOM 180 C PTH 1 4.38 68.23 10.47 0.00 0.00
181
+ ATOM 181 C PTH 1 4.38 68.23 11.47 0.00 0.00
182
+ ATOM 182 C PTH 1 4.38 68.23 12.47 0.00 0.00
183
+ ATOM 183 C PTH 1 4.38 68.23 13.47 0.00 0.00
184
+ ATOM 184 C PTH 1 4.38 68.23 14.47 0.00 0.00
185
+ ATOM 185 C PTH 1 4.38 68.23 15.47 0.00 0.00
186
+ ATOM 186 C PTH 1 4.38 68.23 16.47 0.00 0.00
187
+ ATOM 187 C PTH 1 4.38 68.23 17.47 0.00 0.00
188
+ ATOM 188 C PTH 1 4.38 68.23 18.47 0.00 0.00
189
+ ATOM 189 C PTH 1 4.38 68.23 19.47 0.00 0.00
190
+ ATOM 190 C PTH 1 4.38 68.23 20.47 0.00 0.00
191
+ ATOM 191 C PTH 1 4.38 68.23 21.47 0.00 0.00
192
+ ATOM 192 C PTH 1 4.38 68.23 22.47 0.00 0.00
193
+ ATOM 193 C PTH 1 4.38 69.23 11.47 0.00 0.00
194
+ ATOM 194 C PTH 1 4.38 69.23 12.47 0.00 0.00
195
+ ATOM 195 C PTH 1 4.38 69.23 13.47 0.00 0.00
196
+ ATOM 196 C PTH 1 4.38 69.23 14.47 0.00 0.00
197
+ ATOM 197 C PTH 1 4.38 69.23 15.47 0.00 0.00
198
+ ATOM 198 C PTH 1 4.38 69.23 16.47 0.00 0.00
199
+ ATOM 199 C PTH 1 4.38 69.23 17.47 0.00 0.00
200
+ ATOM 200 C PTH 1 4.38 69.23 18.47 0.00 0.00
201
+ ATOM 201 C PTH 1 4.38 69.23 19.47 0.00 0.00
202
+ ATOM 202 C PTH 1 4.38 69.23 20.47 0.00 0.00
203
+ ATOM 203 C PTH 1 4.38 69.23 21.47 0.00 0.00
204
+ ATOM 204 C PTH 1 4.38 70.23 13.47 0.00 0.00
205
+ ATOM 205 C PTH 1 4.38 70.23 14.47 0.00 0.00
206
+ ATOM 206 C PTH 1 4.38 70.23 15.47 0.00 0.00
207
+ ATOM 207 C PTH 1 4.38 70.23 16.47 0.00 0.00
208
+ ATOM 208 C PTH 1 4.38 70.23 17.47 0.00 0.00
209
+ ATOM 209 C PTH 1 4.38 70.23 18.47 0.00 0.00
210
+ ATOM 210 C PTH 1 4.38 70.23 19.47 0.00 0.00
211
+ ATOM 211 C PTH 1 4.38 70.23 21.47 0.00 0.00
212
+ ATOM 212 C PTH 1 4.38 71.23 13.47 0.00 0.00
213
+ ATOM 213 C PTH 1 4.38 71.23 14.47 0.00 0.00
214
+ ATOM 214 C PTH 1 5.38 65.23 16.47 0.00 0.00
215
+ ATOM 215 C PTH 1 5.38 65.23 17.47 0.00 0.00
216
+ ATOM 216 C PTH 1 5.38 65.23 18.47 0.00 0.00
217
+ ATOM 217 C PTH 1 5.38 66.23 10.47 0.00 0.00
218
+ ATOM 218 C PTH 1 5.38 66.23 11.47 0.00 0.00
219
+ ATOM 219 C PTH 1 5.38 66.23 13.47 0.00 0.00
220
+ ATOM 220 C PTH 1 5.38 66.23 14.47 0.00 0.00
221
+ ATOM 221 C PTH 1 5.38 66.23 15.47 0.00 0.00
222
+ ATOM 222 C PTH 1 5.38 66.23 16.47 0.00 0.00
223
+ ATOM 223 C PTH 1 5.38 66.23 17.47 0.00 0.00
224
+ ATOM 224 C PTH 1 5.38 66.23 18.47 0.00 0.00
225
+ ATOM 225 C PTH 1 5.38 66.23 19.47 0.00 0.00
226
+ ATOM 226 C PTH 1 5.38 66.23 20.47 0.00 0.00
227
+ ATOM 227 C PTH 1 5.38 66.23 21.47 0.00 0.00
228
+ ATOM 228 C PTH 1 5.38 66.23 22.47 0.00 0.00
229
+ ATOM 229 C PTH 1 5.38 67.23 10.47 0.00 0.00
230
+ ATOM 230 C PTH 1 5.38 67.23 11.47 0.00 0.00
231
+ ATOM 231 C PTH 1 5.38 67.23 12.47 0.00 0.00
232
+ ATOM 232 C PTH 1 5.38 67.23 13.47 0.00 0.00
233
+ ATOM 233 C PTH 1 5.38 67.23 14.47 0.00 0.00
234
+ ATOM 234 C PTH 1 5.38 67.23 15.47 0.00 0.00
235
+ ATOM 235 C PTH 1 5.38 67.23 16.47 0.00 0.00
236
+ ATOM 236 C PTH 1 5.38 67.23 17.47 0.00 0.00
237
+ ATOM 237 C PTH 1 5.38 67.23 18.47 0.00 0.00
238
+ ATOM 238 C PTH 1 5.38 67.23 19.47 0.00 0.00
239
+ ATOM 239 C PTH 1 5.38 67.23 20.47 0.00 0.00
240
+ ATOM 240 C PTH 1 5.38 67.23 21.47 0.00 0.00
241
+ ATOM 241 C PTH 1 5.38 67.23 22.47 0.00 0.00
242
+ ATOM 242 C PTH 1 5.38 68.23 10.47 0.00 0.00
243
+ ATOM 243 C PTH 1 5.38 68.23 11.47 0.00 0.00
244
+ ATOM 244 C PTH 1 5.38 68.23 12.47 0.00 0.00
245
+ ATOM 245 C PTH 1 5.38 68.23 13.47 0.00 0.00
246
+ ATOM 246 C PTH 1 5.38 68.23 14.47 0.00 0.00
247
+ ATOM 247 C PTH 1 5.38 68.23 15.47 0.00 0.00
248
+ ATOM 248 C PTH 1 5.38 68.23 16.47 0.00 0.00
249
+ ATOM 249 C PTH 1 5.38 68.23 17.47 0.00 0.00
250
+ ATOM 250 C PTH 1 5.38 68.23 18.47 0.00 0.00
251
+ ATOM 251 C PTH 1 5.38 68.23 19.47 0.00 0.00
252
+ ATOM 252 C PTH 1 5.38 68.23 20.47 0.00 0.00
253
+ ATOM 253 C PTH 1 5.38 68.23 21.47 0.00 0.00
254
+ ATOM 254 C PTH 1 5.38 68.23 22.47 0.00 0.00
255
+ ATOM 255 C PTH 1 5.38 69.23 11.47 0.00 0.00
256
+ ATOM 256 C PTH 1 5.38 69.23 12.47 0.00 0.00
257
+ ATOM 257 C PTH 1 5.38 69.23 13.47 0.00 0.00
258
+ ATOM 258 C PTH 1 5.38 69.23 14.47 0.00 0.00
259
+ ATOM 259 C PTH 1 5.38 69.23 15.47 0.00 0.00
260
+ ATOM 260 C PTH 1 5.38 69.23 16.47 0.00 0.00
261
+ ATOM 261 C PTH 1 5.38 69.23 17.47 0.00 0.00
262
+ ATOM 262 C PTH 1 5.38 69.23 18.47 0.00 0.00
263
+ ATOM 263 C PTH 1 5.38 69.23 19.47 0.00 0.00
264
+ ATOM 264 C PTH 1 5.38 69.23 20.47 0.00 0.00
265
+ ATOM 265 C PTH 1 5.38 69.23 21.47 0.00 0.00
266
+ ATOM 266 C PTH 1 5.38 70.23 18.47 0.00 0.00
267
+ ATOM 267 C PTH 1 5.38 70.23 19.47 0.00 0.00
268
+ ATOM 268 C PTH 1 5.38 70.23 20.47 0.00 0.00
269
+ ATOM 269 C PTH 1 5.38 70.23 21.47 0.00 0.00
270
+ ATOM 270 C PTH 1 6.38 65.23 16.47 0.00 0.00
271
+ ATOM 271 C PTH 1 6.38 65.23 17.47 0.00 0.00
272
+ ATOM 272 C PTH 1 6.38 66.23 10.47 0.00 0.00
273
+ ATOM 273 C PTH 1 6.38 66.23 15.47 0.00 0.00
274
+ ATOM 274 C PTH 1 6.38 66.23 16.47 0.00 0.00
275
+ ATOM 275 C PTH 1 6.38 66.23 17.47 0.00 0.00
276
+ ATOM 276 C PTH 1 6.38 66.23 18.47 0.00 0.00
277
+ ATOM 277 C PTH 1 6.38 67.23 10.47 0.00 0.00
278
+ ATOM 278 C PTH 1 6.38 67.23 14.47 0.00 0.00
279
+ ATOM 279 C PTH 1 6.38 67.23 15.47 0.00 0.00
280
+ ATOM 280 C PTH 1 6.38 67.23 16.47 0.00 0.00
281
+ ATOM 281 C PTH 1 6.38 67.23 17.47 0.00 0.00
282
+ ATOM 282 C PTH 1 6.38 67.23 18.47 0.00 0.00
283
+ ATOM 283 C PTH 1 6.38 67.23 19.47 0.00 0.00
284
+ ATOM 284 C PTH 1 6.38 67.23 20.47 0.00 0.00
285
+ ATOM 285 C PTH 1 6.38 67.23 21.47 0.00 0.00
286
+ ATOM 286 C PTH 1 6.38 68.23 15.47 0.00 0.00
287
+ ATOM 287 C PTH 1 6.38 68.23 16.47 0.00 0.00
288
+ ATOM 288 C PTH 1 6.38 68.23 17.47 0.00 0.00
289
+ ATOM 289 C PTH 1 6.38 68.23 18.47 0.00 0.00
290
+ ATOM 290 C PTH 1 6.38 68.23 19.47 0.00 0.00
291
+ ATOM 291 C PTH 1 6.38 68.23 20.47 0.00 0.00
292
+ ATOM 292 C PTH 1 6.38 68.23 21.47 0.00 0.00
293
+ ATOM 293 C PTH 1 6.38 69.23 17.47 0.00 0.00
294
+ ATOM 294 C PTH 1 6.38 69.23 18.47 0.00 0.00
295
+ ATOM 295 C PTH 1 6.38 69.23 19.47 0.00 0.00
296
+ ATOM 296 C PTH 1 6.38 69.23 20.47 0.00 0.00
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 7.38 65.23 15.47 0.00 0.00
302
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303
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304
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305
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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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316
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317
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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
+ ATOM 326 C PTH 1 8.38 65.23 15.47 0.00 0.00
327
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328
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329
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337
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338
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339
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+ ATOM 341 C PTH 1 8.38 69.23 19.47 0.00 0.00
342
+ ATOM 342 C PTH 1 8.38 70.23 19.47 0.00 0.00
data/files/A000H/pocket_04.pdb ADDED
@@ -0,0 +1,306 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 -8.62 73.23 25.47 0.00 0.00
2
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3
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7
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8
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41
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53
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61
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71
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73
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77
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79
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81
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83
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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
+ ATOM 97 C PTH 1 -6.62 73.23 25.47 0.00 0.00
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99
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101
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103
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104
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105
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106
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111
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139
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149
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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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170
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171
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172
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180
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192
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198
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204
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210
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211
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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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221
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222
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223
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224
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225
+ ATOM 225 C PTH 1 -4.62 75.23 28.47 0.00 0.00
226
+ ATOM 226 C PTH 1 -4.62 75.23 29.47 0.00 0.00
227
+ ATOM 227 C PTH 1 -4.62 75.23 30.47 0.00 0.00
228
+ ATOM 228 C PTH 1 -4.62 75.23 31.47 0.00 0.00
229
+ ATOM 229 C PTH 1 -4.62 76.23 25.47 0.00 0.00
230
+ ATOM 230 C PTH 1 -4.62 76.23 26.47 0.00 0.00
231
+ ATOM 231 C PTH 1 -4.62 76.23 27.47 0.00 0.00
232
+ ATOM 232 C PTH 1 -4.62 76.23 28.47 0.00 0.00
233
+ ATOM 233 C PTH 1 -4.62 76.23 29.47 0.00 0.00
234
+ ATOM 234 C PTH 1 -4.62 76.23 30.47 0.00 0.00
235
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236
+ ATOM 236 C PTH 1 -4.62 77.23 26.47 0.00 0.00
237
+ ATOM 237 C PTH 1 -4.62 77.23 27.47 0.00 0.00
238
+ ATOM 238 C PTH 1 -4.62 77.23 28.47 0.00 0.00
239
+ ATOM 239 C PTH 1 -4.62 77.23 29.47 0.00 0.00
240
+ ATOM 240 C PTH 1 -4.62 77.23 30.47 0.00 0.00
241
+ ATOM 241 C PTH 1 -4.62 77.23 31.47 0.00 0.00
242
+ ATOM 242 C PTH 1 -4.62 78.23 27.47 0.00 0.00
243
+ ATOM 243 C PTH 1 -4.62 78.23 28.47 0.00 0.00
244
+ ATOM 244 C PTH 1 -4.62 78.23 29.47 0.00 0.00
245
+ ATOM 245 C PTH 1 -4.62 78.23 30.47 0.00 0.00
246
+ ATOM 246 C PTH 1 -4.62 78.23 31.47 0.00 0.00
247
+ ATOM 247 C PTH 1 -4.62 79.23 27.47 0.00 0.00
248
+ ATOM 248 C PTH 1 -4.62 79.23 28.47 0.00 0.00
249
+ ATOM 249 C PTH 1 -4.62 79.23 29.47 0.00 0.00
250
+ ATOM 250 C PTH 1 -4.62 79.23 30.47 0.00 0.00
251
+ ATOM 251 C PTH 1 -4.62 79.23 31.47 0.00 0.00
252
+ ATOM 252 C PTH 1 -4.62 80.23 27.47 0.00 0.00
253
+ ATOM 253 C PTH 1 -4.62 80.23 28.47 0.00 0.00
254
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255
+ ATOM 255 C PTH 1 -4.62 80.23 30.47 0.00 0.00
256
+ ATOM 256 C PTH 1 -4.62 80.23 31.47 0.00 0.00
257
+ ATOM 257 C PTH 1 -4.62 81.23 27.47 0.00 0.00
258
+ ATOM 258 C PTH 1 -4.62 81.23 28.47 0.00 0.00
259
+ ATOM 259 C PTH 1 -4.62 81.23 29.47 0.00 0.00
260
+ ATOM 260 C PTH 1 -4.62 81.23 30.47 0.00 0.00
261
+ ATOM 261 C PTH 1 -4.62 81.23 31.47 0.00 0.00
262
+ ATOM 262 C PTH 1 -4.62 82.23 27.47 0.00 0.00
263
+ ATOM 263 C PTH 1 -4.62 82.23 28.47 0.00 0.00
264
+ ATOM 264 C PTH 1 -4.62 82.23 29.47 0.00 0.00
265
+ ATOM 265 C PTH 1 -4.62 82.23 30.47 0.00 0.00
266
+ ATOM 266 C PTH 1 -4.62 83.23 28.47 0.00 0.00
267
+ ATOM 267 C PTH 1 -4.62 83.23 29.47 0.00 0.00
268
+ ATOM 268 C PTH 1 -4.62 83.23 30.47 0.00 0.00
269
+ ATOM 269 C PTH 1 -3.62 75.23 28.47 0.00 0.00
270
+ ATOM 270 C PTH 1 -3.62 75.23 29.47 0.00 0.00
271
+ ATOM 271 C PTH 1 -3.62 76.23 27.47 0.00 0.00
272
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273
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274
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275
+ ATOM 275 C PTH 1 -3.62 77.23 27.47 0.00 0.00
276
+ ATOM 276 C PTH 1 -3.62 77.23 28.47 0.00 0.00
277
+ ATOM 277 C PTH 1 -3.62 77.23 29.47 0.00 0.00
278
+ ATOM 278 C PTH 1 -3.62 77.23 30.47 0.00 0.00
279
+ ATOM 279 C PTH 1 -3.62 78.23 27.47 0.00 0.00
280
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281
+ ATOM 281 C PTH 1 -3.62 78.23 29.47 0.00 0.00
282
+ ATOM 282 C PTH 1 -3.62 78.23 30.47 0.00 0.00
283
+ ATOM 283 C PTH 1 -3.62 79.23 27.47 0.00 0.00
284
+ ATOM 284 C PTH 1 -3.62 79.23 28.47 0.00 0.00
285
+ ATOM 285 C PTH 1 -3.62 79.23 29.47 0.00 0.00
286
+ ATOM 286 C PTH 1 -3.62 79.23 30.47 0.00 0.00
287
+ ATOM 287 C PTH 1 -3.62 80.23 27.47 0.00 0.00
288
+ ATOM 288 C PTH 1 -3.62 80.23 28.47 0.00 0.00
289
+ ATOM 289 C PTH 1 -3.62 80.23 29.47 0.00 0.00
290
+ ATOM 290 C PTH 1 -3.62 80.23 30.47 0.00 0.00
291
+ ATOM 291 C PTH 1 -3.62 81.23 27.47 0.00 0.00
292
+ ATOM 292 C PTH 1 -3.62 81.23 28.47 0.00 0.00
293
+ ATOM 293 C PTH 1 -3.62 81.23 29.47 0.00 0.00
294
+ ATOM 294 C PTH 1 -3.62 81.23 30.47 0.00 0.00
295
+ ATOM 295 C PTH 1 -3.62 82.23 27.47 0.00 0.00
296
+ ATOM 296 C PTH 1 -3.62 82.23 28.47 0.00 0.00
297
+ ATOM 297 C PTH 1 -3.62 82.23 29.47 0.00 0.00
298
+ ATOM 298 C PTH 1 -3.62 82.23 30.47 0.00 0.00
299
+ ATOM 299 C PTH 1 -3.62 83.23 28.47 0.00 0.00
300
+ ATOM 300 C PTH 1 -3.62 83.23 29.47 0.00 0.00
301
+ ATOM 301 C PTH 1 -3.62 83.23 30.47 0.00 0.00
302
+ ATOM 302 C PTH 1 -2.62 77.23 28.47 0.00 0.00
303
+ ATOM 303 C PTH 1 -2.62 78.23 28.47 0.00 0.00
304
+ ATOM 304 C PTH 1 -2.62 78.23 29.47 0.00 0.00
305
+ ATOM 305 C PTH 1 -2.62 79.23 28.47 0.00 0.00
306
+ ATOM 306 C PTH 1 -2.62 79.23 29.47 0.00 0.00
data/files/A000H/pocket_05.pdb ADDED
@@ -0,0 +1,265 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 -9.62 60.23 20.47 0.00 0.00
2
+ ATOM 2 C PTH 1 -9.62 60.23 22.47 0.00 0.00
3
+ ATOM 3 C PTH 1 -9.62 61.23 19.47 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
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9
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10
+ ATOM 10 C PTH 1 -8.62 60.23 20.47 0.00 0.00
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
+ ATOM 29 C PTH 1 -8.62 63.23 21.47 0.00 0.00
30
+ ATOM 30 C PTH 1 -8.62 63.23 22.47 0.00 0.00
31
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32
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33
+ ATOM 33 C PTH 1 -8.62 64.23 20.47 0.00 0.00
34
+ ATOM 34 C PTH 1 -8.62 64.23 21.47 0.00 0.00
35
+ ATOM 35 C PTH 1 -8.62 64.23 22.47 0.00 0.00
36
+ ATOM 36 C PTH 1 -8.62 64.23 23.47 0.00 0.00
37
+ ATOM 37 C PTH 1 -7.62 58.23 23.47 0.00 0.00
38
+ ATOM 38 C PTH 1 -7.62 59.23 21.47 0.00 0.00
39
+ ATOM 39 C PTH 1 -7.62 59.23 22.47 0.00 0.00
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
+ ATOM 51 C PTH 1 -7.62 61.23 23.47 0.00 0.00
52
+ ATOM 52 C PTH 1 -7.62 61.23 24.47 0.00 0.00
53
+ ATOM 53 C PTH 1 -7.62 62.23 19.47 0.00 0.00
54
+ ATOM 54 C PTH 1 -7.62 62.23 20.47 0.00 0.00
55
+ ATOM 55 C PTH 1 -7.62 62.23 21.47 0.00 0.00
56
+ ATOM 56 C PTH 1 -7.62 62.23 22.47 0.00 0.00
57
+ ATOM 57 C PTH 1 -7.62 62.23 23.47 0.00 0.00
58
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59
+ ATOM 59 C PTH 1 -7.62 63.23 19.47 0.00 0.00
60
+ ATOM 60 C PTH 1 -7.62 63.23 20.47 0.00 0.00
61
+ ATOM 61 C PTH 1 -7.62 63.23 21.47 0.00 0.00
62
+ ATOM 62 C PTH 1 -7.62 63.23 22.47 0.00 0.00
63
+ ATOM 63 C PTH 1 -7.62 63.23 23.47 0.00 0.00
64
+ ATOM 64 C PTH 1 -7.62 63.23 24.47 0.00 0.00
65
+ ATOM 65 C PTH 1 -7.62 64.23 19.47 0.00 0.00
66
+ ATOM 66 C PTH 1 -7.62 64.23 20.47 0.00 0.00
67
+ ATOM 67 C PTH 1 -7.62 64.23 21.47 0.00 0.00
68
+ ATOM 68 C PTH 1 -7.62 64.23 22.47 0.00 0.00
69
+ ATOM 69 C PTH 1 -7.62 64.23 23.47 0.00 0.00
70
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71
+ ATOM 71 C PTH 1 -6.62 58.23 22.47 0.00 0.00
72
+ ATOM 72 C PTH 1 -6.62 58.23 23.47 0.00 0.00
73
+ ATOM 73 C PTH 1 -6.62 58.23 24.47 0.00 0.00
74
+ ATOM 74 C PTH 1 -6.62 59.23 21.47 0.00 0.00
75
+ ATOM 75 C PTH 1 -6.62 59.23 22.47 0.00 0.00
76
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77
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78
+ ATOM 78 C PTH 1 -6.62 60.23 20.47 0.00 0.00
79
+ ATOM 79 C PTH 1 -6.62 60.23 21.47 0.00 0.00
80
+ ATOM 80 C PTH 1 -6.62 60.23 22.47 0.00 0.00
81
+ ATOM 81 C PTH 1 -6.62 60.23 23.47 0.00 0.00
82
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83
+ ATOM 83 C PTH 1 -6.62 60.23 25.47 0.00 0.00
84
+ ATOM 84 C PTH 1 -6.62 61.23 19.47 0.00 0.00
85
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86
+ ATOM 86 C PTH 1 -6.62 61.23 21.47 0.00 0.00
87
+ ATOM 87 C PTH 1 -6.62 61.23 22.47 0.00 0.00
88
+ ATOM 88 C PTH 1 -6.62 61.23 23.47 0.00 0.00
89
+ ATOM 89 C PTH 1 -6.62 61.23 24.47 0.00 0.00
90
+ ATOM 90 C PTH 1 -6.62 61.23 25.47 0.00 0.00
91
+ ATOM 91 C PTH 1 -6.62 62.23 19.47 0.00 0.00
92
+ ATOM 92 C PTH 1 -6.62 62.23 20.47 0.00 0.00
93
+ ATOM 93 C PTH 1 -6.62 62.23 21.47 0.00 0.00
94
+ ATOM 94 C PTH 1 -6.62 62.23 22.47 0.00 0.00
95
+ ATOM 95 C PTH 1 -6.62 62.23 23.47 0.00 0.00
96
+ ATOM 96 C PTH 1 -6.62 62.23 24.47 0.00 0.00
97
+ ATOM 97 C PTH 1 -6.62 63.23 19.47 0.00 0.00
98
+ ATOM 98 C PTH 1 -6.62 63.23 20.47 0.00 0.00
99
+ ATOM 99 C PTH 1 -6.62 63.23 21.47 0.00 0.00
100
+ ATOM 100 C PTH 1 -6.62 63.23 22.47 0.00 0.00
101
+ ATOM 101 C PTH 1 -6.62 63.23 23.47 0.00 0.00
102
+ ATOM 102 C PTH 1 -6.62 63.23 24.47 0.00 0.00
103
+ ATOM 103 C PTH 1 -6.62 64.23 18.47 0.00 0.00
104
+ ATOM 104 C PTH 1 -6.62 64.23 19.47 0.00 0.00
105
+ ATOM 105 C PTH 1 -6.62 64.23 20.47 0.00 0.00
106
+ ATOM 106 C PTH 1 -6.62 64.23 21.47 0.00 0.00
107
+ ATOM 107 C PTH 1 -6.62 64.23 22.47 0.00 0.00
108
+ ATOM 108 C PTH 1 -6.62 64.23 23.47 0.00 0.00
109
+ ATOM 109 C PTH 1 -6.62 64.23 24.47 0.00 0.00
110
+ ATOM 110 C PTH 1 -5.62 58.23 23.47 0.00 0.00
111
+ ATOM 111 C PTH 1 -5.62 58.23 24.47 0.00 0.00
112
+ ATOM 112 C PTH 1 -5.62 58.23 25.47 0.00 0.00
113
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114
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115
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116
+ ATOM 116 C PTH 1 -5.62 59.23 25.47 0.00 0.00
117
+ ATOM 117 C PTH 1 -5.62 60.23 21.47 0.00 0.00
118
+ ATOM 118 C PTH 1 -5.62 60.23 22.47 0.00 0.00
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
+ ATOM 125 C PTH 1 -5.62 61.23 23.47 0.00 0.00
126
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127
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128
+ ATOM 128 C PTH 1 -5.62 62.23 19.47 0.00 0.00
129
+ ATOM 129 C PTH 1 -5.62 62.23 20.47 0.00 0.00
130
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131
+ ATOM 131 C PTH 1 -5.62 62.23 22.47 0.00 0.00
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
+ ATOM 137 C PTH 1 -5.62 63.23 21.47 0.00 0.00
138
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139
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140
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141
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142
+ ATOM 142 C PTH 1 -5.62 64.23 19.47 0.00 0.00
143
+ ATOM 143 C PTH 1 -5.62 64.23 20.47 0.00 0.00
144
+ ATOM 144 C PTH 1 -5.62 64.23 21.47 0.00 0.00
145
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146
+ ATOM 146 C PTH 1 -5.62 64.23 23.47 0.00 0.00
147
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148
+ ATOM 148 C PTH 1 -4.62 58.23 24.47 0.00 0.00
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
+ ATOM 154 C PTH 1 -4.62 60.23 23.47 0.00 0.00
155
+ ATOM 155 C PTH 1 -4.62 60.23 24.47 0.00 0.00
156
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157
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158
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159
+ ATOM 159 C PTH 1 -4.62 61.23 22.47 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
+ ATOM 172 C PTH 1 -4.62 63.23 21.47 0.00 0.00
173
+ ATOM 173 C PTH 1 -4.62 63.23 22.47 0.00 0.00
174
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175
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176
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177
+ ATOM 177 C PTH 1 -4.62 64.23 20.47 0.00 0.00
178
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179
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180
+ ATOM 180 C PTH 1 -4.62 64.23 23.47 0.00 0.00
181
+ ATOM 181 C PTH 1 -4.62 65.23 18.47 0.00 0.00
182
+ ATOM 182 C PTH 1 -3.62 59.23 23.47 0.00 0.00
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
+ ATOM 189 C PTH 1 -3.62 61.23 22.47 0.00 0.00
190
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191
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+ ATOM 265 C PTH 1 0.38 64.23 22.47 0.00 0.00
data/files/A000H/pocket_06.pdb ADDED
@@ -0,0 +1,177 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 2.38 78.23 40.47 0.00 0.00
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+ ATOM 177 C PTH 1 8.38 81.23 41.47 0.00 0.00
data/files/A000H/pocket_07.pdb ADDED
@@ -0,0 +1,140 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 -3.62 60.23 51.47 0.00 0.00
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140
+ ATOM 140 C PTH 1 0.38 64.23 49.47 0.00 0.00
data/files/A000H/pocket_08.pdb ADDED
@@ -0,0 +1,113 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 -8.62 63.23 39.47 0.00 0.00
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113
+ ATOM 113 C PTH 1 -2.62 64.23 41.47 0.00 0.00
data/files/A000H/pocket_09.pdb ADDED
@@ -0,0 +1,87 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 4.38 44.23 17.47 0.00 0.00
2
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+ ATOM 52 C PTH 1 88.34 87.82 43.46 0.00 0.00
53
+ ATOM 53 C PTH 1 89.34 80.82 38.46 0.00 0.00
54
+ ATOM 54 C PTH 1 89.34 80.82 39.46 0.00 0.00
55
+ ATOM 55 C PTH 1 89.34 80.82 40.46 0.00 0.00
56
+ ATOM 56 C PTH 1 89.34 80.82 41.46 0.00 0.00
57
+ ATOM 57 C PTH 1 89.34 81.82 37.46 0.00 0.00
58
+ ATOM 58 C PTH 1 89.34 81.82 38.46 0.00 0.00
59
+ ATOM 59 C PTH 1 89.34 81.82 39.46 0.00 0.00
60
+ ATOM 60 C PTH 1 89.34 81.82 40.46 0.00 0.00
61
+ ATOM 61 C PTH 1 89.34 81.82 41.46 0.00 0.00
62
+ ATOM 62 C PTH 1 89.34 81.82 42.46 0.00 0.00
63
+ ATOM 63 C PTH 1 89.34 82.82 37.46 0.00 0.00
64
+ ATOM 64 C PTH 1 89.34 82.82 38.46 0.00 0.00
65
+ ATOM 65 C PTH 1 89.34 82.82 39.46 0.00 0.00
66
+ ATOM 66 C PTH 1 89.34 82.82 40.46 0.00 0.00
67
+ ATOM 67 C PTH 1 89.34 82.82 41.46 0.00 0.00
68
+ ATOM 68 C PTH 1 89.34 82.82 42.46 0.00 0.00
69
+ ATOM 69 C PTH 1 89.34 83.82 38.46 0.00 0.00
70
+ ATOM 70 C PTH 1 89.34 83.82 39.46 0.00 0.00
71
+ ATOM 71 C PTH 1 89.34 83.82 40.46 0.00 0.00
72
+ ATOM 72 C PTH 1 89.34 83.82 41.46 0.00 0.00
73
+ ATOM 73 C PTH 1 89.34 83.82 42.46 0.00 0.00
74
+ ATOM 74 C PTH 1 89.34 83.82 43.46 0.00 0.00
75
+ ATOM 75 C PTH 1 89.34 84.82 39.46 0.00 0.00
76
+ ATOM 76 C PTH 1 89.34 84.82 40.46 0.00 0.00
77
+ ATOM 77 C PTH 1 89.34 84.82 41.46 0.00 0.00
78
+ ATOM 78 C PTH 1 89.34 84.82 42.46 0.00 0.00
79
+ ATOM 79 C PTH 1 89.34 84.82 43.46 0.00 0.00
80
+ ATOM 80 C PTH 1 89.34 85.82 40.46 0.00 0.00
81
+ ATOM 81 C PTH 1 89.34 85.82 41.46 0.00 0.00
82
+ ATOM 82 C PTH 1 89.34 85.82 42.46 0.00 0.00
83
+ ATOM 83 C PTH 1 89.34 85.82 43.46 0.00 0.00
84
+ ATOM 84 C PTH 1 89.34 86.82 41.46 0.00 0.00
85
+ ATOM 85 C PTH 1 89.34 86.82 42.46 0.00 0.00
86
+ ATOM 86 C PTH 1 89.34 86.82 43.46 0.00 0.00
87
+ ATOM 87 C PTH 1 89.34 87.82 41.46 0.00 0.00
88
+ ATOM 88 C PTH 1 89.34 87.82 42.46 0.00 0.00
89
+ ATOM 89 C PTH 1 89.34 87.82 43.46 0.00 0.00
90
+ ATOM 90 C PTH 1 90.34 80.82 37.46 0.00 0.00
91
+ ATOM 91 C PTH 1 90.34 80.82 38.46 0.00 0.00
92
+ ATOM 92 C PTH 1 90.34 80.82 39.46 0.00 0.00
93
+ ATOM 93 C PTH 1 90.34 80.82 40.46 0.00 0.00
94
+ ATOM 94 C PTH 1 90.34 81.82 37.46 0.00 0.00
95
+ ATOM 95 C PTH 1 90.34 81.82 38.46 0.00 0.00
96
+ ATOM 96 C PTH 1 90.34 81.82 39.46 0.00 0.00
97
+ ATOM 97 C PTH 1 90.34 81.82 40.46 0.00 0.00
98
+ ATOM 98 C PTH 1 90.34 81.82 41.46 0.00 0.00
99
+ ATOM 99 C PTH 1 90.34 82.82 37.46 0.00 0.00
100
+ ATOM 100 C PTH 1 90.34 82.82 38.46 0.00 0.00
101
+ ATOM 101 C PTH 1 90.34 82.82 39.46 0.00 0.00
102
+ ATOM 102 C PTH 1 90.34 82.82 40.46 0.00 0.00
103
+ ATOM 103 C PTH 1 90.34 82.82 41.46 0.00 0.00
104
+ ATOM 104 C PTH 1 90.34 82.82 42.46 0.00 0.00
105
+ ATOM 105 C PTH 1 90.34 83.82 37.46 0.00 0.00
106
+ ATOM 106 C PTH 1 90.34 83.82 38.46 0.00 0.00
107
+ ATOM 107 C PTH 1 90.34 83.82 39.46 0.00 0.00
108
+ ATOM 108 C PTH 1 90.34 83.82 40.46 0.00 0.00
109
+ ATOM 109 C PTH 1 90.34 83.82 41.46 0.00 0.00
110
+ ATOM 110 C PTH 1 90.34 83.82 42.46 0.00 0.00
111
+ ATOM 111 C PTH 1 90.34 83.82 43.46 0.00 0.00
112
+ ATOM 112 C PTH 1 90.34 84.82 38.46 0.00 0.00
113
+ ATOM 113 C PTH 1 90.34 84.82 39.46 0.00 0.00
114
+ ATOM 114 C PTH 1 90.34 84.82 40.46 0.00 0.00
115
+ ATOM 115 C PTH 1 90.34 84.82 41.46 0.00 0.00
116
+ ATOM 116 C PTH 1 90.34 84.82 42.46 0.00 0.00
117
+ ATOM 117 C PTH 1 90.34 84.82 43.46 0.00 0.00
118
+ ATOM 118 C PTH 1 90.34 85.82 40.46 0.00 0.00
119
+ ATOM 119 C PTH 1 90.34 85.82 41.46 0.00 0.00
120
+ ATOM 120 C PTH 1 90.34 85.82 42.46 0.00 0.00
121
+ ATOM 121 C PTH 1 90.34 85.82 43.46 0.00 0.00
122
+ ATOM 122 C PTH 1 90.34 86.82 41.46 0.00 0.00
123
+ ATOM 123 C PTH 1 90.34 86.82 42.46 0.00 0.00
124
+ ATOM 124 C PTH 1 90.34 86.82 43.46 0.00 0.00
125
+ ATOM 125 C PTH 1 90.34 87.82 42.46 0.00 0.00
126
+ ATOM 126 C PTH 1 90.34 87.82 43.46 0.00 0.00
127
+ ATOM 127 C PTH 1 91.34 79.82 35.46 0.00 0.00
128
+ ATOM 128 C PTH 1 91.34 79.82 36.46 0.00 0.00
129
+ ATOM 129 C PTH 1 91.34 79.82 37.46 0.00 0.00
130
+ ATOM 130 C PTH 1 91.34 80.82 35.46 0.00 0.00
131
+ ATOM 131 C PTH 1 91.34 80.82 36.46 0.00 0.00
132
+ ATOM 132 C PTH 1 91.34 80.82 37.46 0.00 0.00
133
+ ATOM 133 C PTH 1 91.34 80.82 38.46 0.00 0.00
134
+ ATOM 134 C PTH 1 91.34 81.82 35.46 0.00 0.00
135
+ ATOM 135 C PTH 1 91.34 81.82 36.46 0.00 0.00
136
+ ATOM 136 C PTH 1 91.34 81.82 37.46 0.00 0.00
137
+ ATOM 137 C PTH 1 91.34 81.82 38.46 0.00 0.00
138
+ ATOM 138 C PTH 1 91.34 81.82 39.46 0.00 0.00
139
+ ATOM 139 C PTH 1 91.34 81.82 40.46 0.00 0.00
140
+ ATOM 140 C PTH 1 91.34 82.82 36.46 0.00 0.00
141
+ ATOM 141 C PTH 1 91.34 82.82 37.46 0.00 0.00
142
+ ATOM 142 C PTH 1 91.34 82.82 38.46 0.00 0.00
143
+ ATOM 143 C PTH 1 91.34 82.82 39.46 0.00 0.00
144
+ ATOM 144 C PTH 1 91.34 82.82 40.46 0.00 0.00
145
+ ATOM 145 C PTH 1 91.34 82.82 41.46 0.00 0.00
146
+ ATOM 146 C PTH 1 91.34 82.82 42.46 0.00 0.00
147
+ ATOM 147 C PTH 1 91.34 83.82 37.46 0.00 0.00
148
+ ATOM 148 C PTH 1 91.34 83.82 38.46 0.00 0.00
149
+ ATOM 149 C PTH 1 91.34 83.82 39.46 0.00 0.00
150
+ ATOM 150 C PTH 1 91.34 83.82 40.46 0.00 0.00
151
+ ATOM 151 C PTH 1 91.34 83.82 41.46 0.00 0.00
152
+ ATOM 152 C PTH 1 91.34 83.82 42.46 0.00 0.00
153
+ ATOM 153 C PTH 1 91.34 84.82 37.46 0.00 0.00
154
+ ATOM 154 C PTH 1 91.34 84.82 38.46 0.00 0.00
155
+ ATOM 155 C PTH 1 91.34 84.82 39.46 0.00 0.00
156
+ ATOM 156 C PTH 1 91.34 84.82 40.46 0.00 0.00
157
+ ATOM 157 C PTH 1 91.34 84.82 41.46 0.00 0.00
158
+ ATOM 158 C PTH 1 91.34 84.82 42.46 0.00 0.00
159
+ ATOM 159 C PTH 1 91.34 85.82 38.46 0.00 0.00
160
+ ATOM 160 C PTH 1 91.34 85.82 39.46 0.00 0.00
161
+ ATOM 161 C PTH 1 91.34 85.82 40.46 0.00 0.00
162
+ ATOM 162 C PTH 1 91.34 85.82 41.46 0.00 0.00
163
+ ATOM 163 C PTH 1 91.34 85.82 42.46 0.00 0.00
164
+ ATOM 164 C PTH 1 91.34 86.82 41.46 0.00 0.00
165
+ ATOM 165 C PTH 1 92.34 78.82 34.46 0.00 0.00
166
+ ATOM 166 C PTH 1 92.34 78.82 35.46 0.00 0.00
167
+ ATOM 167 C PTH 1 92.34 78.82 36.46 0.00 0.00
168
+ ATOM 168 C PTH 1 92.34 79.82 34.46 0.00 0.00
169
+ ATOM 169 C PTH 1 92.34 79.82 35.46 0.00 0.00
170
+ ATOM 170 C PTH 1 92.34 79.82 36.46 0.00 0.00
171
+ ATOM 171 C PTH 1 92.34 79.82 37.46 0.00 0.00
172
+ ATOM 172 C PTH 1 92.34 80.82 35.46 0.00 0.00
173
+ ATOM 173 C PTH 1 92.34 80.82 36.46 0.00 0.00
174
+ ATOM 174 C PTH 1 92.34 80.82 37.46 0.00 0.00
175
+ ATOM 175 C PTH 1 92.34 80.82 38.46 0.00 0.00
176
+ ATOM 176 C PTH 1 92.34 81.82 35.46 0.00 0.00
177
+ ATOM 177 C PTH 1 92.34 81.82 36.46 0.00 0.00
178
+ ATOM 178 C PTH 1 92.34 81.82 37.46 0.00 0.00
179
+ ATOM 179 C PTH 1 92.34 81.82 38.46 0.00 0.00
180
+ ATOM 180 C PTH 1 92.34 81.82 39.46 0.00 0.00
181
+ ATOM 181 C PTH 1 92.34 81.82 40.46 0.00 0.00
182
+ ATOM 182 C PTH 1 92.34 82.82 35.46 0.00 0.00
183
+ ATOM 183 C PTH 1 92.34 82.82 36.46 0.00 0.00
184
+ ATOM 184 C PTH 1 92.34 82.82 37.46 0.00 0.00
185
+ ATOM 185 C PTH 1 92.34 82.82 38.46 0.00 0.00
186
+ ATOM 186 C PTH 1 92.34 82.82 39.46 0.00 0.00
187
+ ATOM 187 C PTH 1 92.34 82.82 40.46 0.00 0.00
188
+ ATOM 188 C PTH 1 92.34 82.82 41.46 0.00 0.00
189
+ ATOM 189 C PTH 1 92.34 83.82 36.46 0.00 0.00
190
+ ATOM 190 C PTH 1 92.34 83.82 37.46 0.00 0.00
191
+ ATOM 191 C PTH 1 92.34 83.82 38.46 0.00 0.00
192
+ ATOM 192 C PTH 1 92.34 83.82 39.46 0.00 0.00
193
+ ATOM 193 C PTH 1 92.34 83.82 40.46 0.00 0.00
194
+ ATOM 194 C PTH 1 92.34 83.82 41.46 0.00 0.00
195
+ ATOM 195 C PTH 1 92.34 84.82 37.46 0.00 0.00
196
+ ATOM 196 C PTH 1 92.34 84.82 38.46 0.00 0.00
197
+ ATOM 197 C PTH 1 92.34 84.82 39.46 0.00 0.00
198
+ ATOM 198 C PTH 1 92.34 84.82 40.46 0.00 0.00
199
+ ATOM 199 C PTH 1 92.34 84.82 41.46 0.00 0.00
200
+ ATOM 200 C PTH 1 92.34 85.82 38.46 0.00 0.00
201
+ ATOM 201 C PTH 1 92.34 85.82 39.46 0.00 0.00
202
+ ATOM 202 C PTH 1 92.34 85.82 40.46 0.00 0.00
203
+ ATOM 203 C PTH 1 92.34 85.82 41.46 0.00 0.00
204
+ ATOM 204 C PTH 1 93.34 78.82 34.46 0.00 0.00
205
+ ATOM 205 C PTH 1 93.34 78.82 35.46 0.00 0.00
206
+ ATOM 206 C PTH 1 93.34 78.82 36.46 0.00 0.00
207
+ ATOM 207 C PTH 1 93.34 79.82 34.46 0.00 0.00
208
+ ATOM 208 C PTH 1 93.34 79.82 35.46 0.00 0.00
209
+ ATOM 209 C PTH 1 93.34 79.82 36.46 0.00 0.00
210
+ ATOM 210 C PTH 1 93.34 79.82 37.46 0.00 0.00
211
+ ATOM 211 C PTH 1 93.34 80.82 34.46 0.00 0.00
212
+ ATOM 212 C PTH 1 93.34 80.82 35.46 0.00 0.00
213
+ ATOM 213 C PTH 1 93.34 80.82 36.46 0.00 0.00
214
+ ATOM 214 C PTH 1 93.34 80.82 37.46 0.00 0.00
215
+ ATOM 215 C PTH 1 93.34 80.82 38.46 0.00 0.00
216
+ ATOM 216 C PTH 1 93.34 81.82 35.46 0.00 0.00
217
+ ATOM 217 C PTH 1 93.34 81.82 36.46 0.00 0.00
218
+ ATOM 218 C PTH 1 93.34 81.82 37.46 0.00 0.00
219
+ ATOM 219 C PTH 1 93.34 81.82 38.46 0.00 0.00
220
+ ATOM 220 C PTH 1 93.34 81.82 39.46 0.00 0.00
221
+ ATOM 221 C PTH 1 93.34 82.82 35.46 0.00 0.00
222
+ ATOM 222 C PTH 1 93.34 82.82 36.46 0.00 0.00
223
+ ATOM 223 C PTH 1 93.34 82.82 37.46 0.00 0.00
224
+ ATOM 224 C PTH 1 93.34 82.82 38.46 0.00 0.00
225
+ ATOM 225 C PTH 1 93.34 82.82 39.46 0.00 0.00
226
+ ATOM 226 C PTH 1 93.34 82.82 40.46 0.00 0.00
227
+ ATOM 227 C PTH 1 93.34 83.82 35.46 0.00 0.00
228
+ ATOM 228 C PTH 1 93.34 83.82 36.46 0.00 0.00
229
+ ATOM 229 C PTH 1 93.34 83.82 37.46 0.00 0.00
230
+ ATOM 230 C PTH 1 93.34 83.82 38.46 0.00 0.00
231
+ ATOM 231 C PTH 1 93.34 83.82 39.46 0.00 0.00
232
+ ATOM 232 C PTH 1 93.34 83.82 40.46 0.00 0.00
233
+ ATOM 233 C PTH 1 93.34 84.82 37.46 0.00 0.00
234
+ ATOM 234 C PTH 1 93.34 84.82 38.46 0.00 0.00
235
+ ATOM 235 C PTH 1 93.34 84.82 39.46 0.00 0.00
236
+ ATOM 236 C PTH 1 93.34 84.82 40.46 0.00 0.00
237
+ ATOM 237 C PTH 1 93.34 85.82 37.46 0.00 0.00
238
+ ATOM 238 C PTH 1 93.34 85.82 38.46 0.00 0.00
239
+ ATOM 239 C PTH 1 93.34 85.82 39.46 0.00 0.00
240
+ ATOM 240 C PTH 1 93.34 85.82 40.46 0.00 0.00
241
+ ATOM 241 C PTH 1 94.34 78.82 34.46 0.00 0.00
242
+ ATOM 242 C PTH 1 94.34 78.82 35.46 0.00 0.00
243
+ ATOM 243 C PTH 1 94.34 78.82 36.46 0.00 0.00
244
+ ATOM 244 C PTH 1 94.34 79.82 34.46 0.00 0.00
245
+ ATOM 245 C PTH 1 94.34 79.82 35.46 0.00 0.00
246
+ ATOM 246 C PTH 1 94.34 79.82 36.46 0.00 0.00
247
+ ATOM 247 C PTH 1 94.34 79.82 37.46 0.00 0.00
248
+ ATOM 248 C PTH 1 94.34 79.82 38.46 0.00 0.00
249
+ ATOM 249 C PTH 1 94.34 80.82 34.46 0.00 0.00
250
+ ATOM 250 C PTH 1 94.34 80.82 35.46 0.00 0.00
251
+ ATOM 251 C PTH 1 94.34 80.82 36.46 0.00 0.00
252
+ ATOM 252 C PTH 1 94.34 80.82 37.46 0.00 0.00
253
+ ATOM 253 C PTH 1 94.34 80.82 38.46 0.00 0.00
254
+ ATOM 254 C PTH 1 94.34 80.82 39.46 0.00 0.00
255
+ ATOM 255 C PTH 1 94.34 81.82 34.46 0.00 0.00
256
+ ATOM 256 C PTH 1 94.34 81.82 35.46 0.00 0.00
257
+ ATOM 257 C PTH 1 94.34 81.82 36.46 0.00 0.00
258
+ ATOM 258 C PTH 1 94.34 81.82 37.46 0.00 0.00
259
+ ATOM 259 C PTH 1 94.34 81.82 38.46 0.00 0.00
260
+ ATOM 260 C PTH 1 94.34 81.82 39.46 0.00 0.00
261
+ ATOM 261 C PTH 1 94.34 82.82 35.46 0.00 0.00
262
+ ATOM 262 C PTH 1 94.34 82.82 36.46 0.00 0.00
263
+ ATOM 263 C PTH 1 94.34 82.82 37.46 0.00 0.00
264
+ ATOM 264 C PTH 1 94.34 82.82 38.46 0.00 0.00
265
+ ATOM 265 C PTH 1 94.34 82.82 39.46 0.00 0.00
266
+ ATOM 266 C PTH 1 94.34 82.82 40.46 0.00 0.00
267
+ ATOM 267 C PTH 1 94.34 83.82 35.46 0.00 0.00
268
+ ATOM 268 C PTH 1 94.34 83.82 36.46 0.00 0.00
269
+ ATOM 269 C PTH 1 94.34 83.82 37.46 0.00 0.00
270
+ ATOM 270 C PTH 1 94.34 83.82 38.46 0.00 0.00
271
+ ATOM 271 C PTH 1 94.34 83.82 39.46 0.00 0.00
272
+ ATOM 272 C PTH 1 94.34 83.82 40.46 0.00 0.00
273
+ ATOM 273 C PTH 1 94.34 84.82 36.46 0.00 0.00
274
+ ATOM 274 C PTH 1 94.34 84.82 37.46 0.00 0.00
275
+ ATOM 275 C PTH 1 94.34 84.82 38.46 0.00 0.00
276
+ ATOM 276 C PTH 1 94.34 84.82 39.46 0.00 0.00
277
+ ATOM 277 C PTH 1 94.34 84.82 40.46 0.00 0.00
278
+ ATOM 278 C PTH 1 94.34 85.82 37.46 0.00 0.00
279
+ ATOM 279 C PTH 1 94.34 85.82 38.46 0.00 0.00
280
+ ATOM 280 C PTH 1 94.34 85.82 39.46 0.00 0.00
281
+ ATOM 281 C PTH 1 94.34 85.82 40.46 0.00 0.00
282
+ ATOM 282 C PTH 1 95.34 78.82 34.46 0.00 0.00
283
+ ATOM 283 C PTH 1 95.34 78.82 35.46 0.00 0.00
284
+ ATOM 284 C PTH 1 95.34 79.82 34.46 0.00 0.00
285
+ ATOM 285 C PTH 1 95.34 79.82 35.46 0.00 0.00
286
+ ATOM 286 C PTH 1 95.34 79.82 36.46 0.00 0.00
287
+ ATOM 287 C PTH 1 95.34 79.82 37.46 0.00 0.00
288
+ ATOM 288 C PTH 1 95.34 80.82 34.46 0.00 0.00
289
+ ATOM 289 C PTH 1 95.34 80.82 35.46 0.00 0.00
290
+ ATOM 290 C PTH 1 95.34 80.82 36.46 0.00 0.00
291
+ ATOM 291 C PTH 1 95.34 80.82 37.46 0.00 0.00
292
+ ATOM 292 C PTH 1 95.34 80.82 38.46 0.00 0.00
293
+ ATOM 293 C PTH 1 95.34 80.82 39.46 0.00 0.00
294
+ ATOM 294 C PTH 1 95.34 81.82 35.46 0.00 0.00
295
+ ATOM 295 C PTH 1 95.34 81.82 36.46 0.00 0.00
296
+ ATOM 296 C PTH 1 95.34 81.82 37.46 0.00 0.00
297
+ ATOM 297 C PTH 1 95.34 81.82 38.46 0.00 0.00
298
+ ATOM 298 C PTH 1 95.34 81.82 39.46 0.00 0.00
299
+ ATOM 299 C PTH 1 95.34 81.82 40.46 0.00 0.00
300
+ ATOM 300 C PTH 1 95.34 82.82 35.46 0.00 0.00
301
+ ATOM 301 C PTH 1 95.34 82.82 36.46 0.00 0.00
302
+ ATOM 302 C PTH 1 95.34 82.82 37.46 0.00 0.00
303
+ ATOM 303 C PTH 1 95.34 82.82 38.46 0.00 0.00
304
+ ATOM 304 C PTH 1 95.34 82.82 39.46 0.00 0.00
305
+ ATOM 305 C PTH 1 95.34 82.82 40.46 0.00 0.00
306
+ ATOM 306 C PTH 1 95.34 83.82 35.46 0.00 0.00
307
+ ATOM 307 C PTH 1 95.34 83.82 36.46 0.00 0.00
308
+ ATOM 308 C PTH 1 95.34 83.82 37.46 0.00 0.00
309
+ ATOM 309 C PTH 1 95.34 83.82 38.46 0.00 0.00
310
+ ATOM 310 C PTH 1 95.34 83.82 39.46 0.00 0.00
311
+ ATOM 311 C PTH 1 95.34 83.82 40.46 0.00 0.00
312
+ ATOM 312 C PTH 1 95.34 84.82 36.46 0.00 0.00
313
+ ATOM 313 C PTH 1 95.34 84.82 37.46 0.00 0.00
314
+ ATOM 314 C PTH 1 95.34 84.82 38.46 0.00 0.00
315
+ ATOM 315 C PTH 1 95.34 84.82 39.46 0.00 0.00
316
+ ATOM 316 C PTH 1 95.34 84.82 40.46 0.00 0.00
317
+ ATOM 317 C PTH 1 95.34 85.82 39.46 0.00 0.00
318
+ ATOM 318 C PTH 1 95.34 85.82 40.46 0.00 0.00
319
+ ATOM 319 C PTH 1 96.34 79.82 36.46 0.00 0.00
320
+ ATOM 320 C PTH 1 96.34 79.82 37.46 0.00 0.00
321
+ ATOM 321 C PTH 1 96.34 80.82 36.46 0.00 0.00
322
+ ATOM 322 C PTH 1 96.34 80.82 37.46 0.00 0.00
323
+ ATOM 323 C PTH 1 96.34 80.82 38.46 0.00 0.00
324
+ ATOM 324 C PTH 1 96.34 80.82 39.46 0.00 0.00
325
+ ATOM 325 C PTH 1 96.34 81.82 35.46 0.00 0.00
326
+ ATOM 326 C PTH 1 96.34 81.82 36.46 0.00 0.00
327
+ ATOM 327 C PTH 1 96.34 81.82 37.46 0.00 0.00
328
+ ATOM 328 C PTH 1 96.34 81.82 38.46 0.00 0.00
329
+ ATOM 329 C PTH 1 96.34 81.82 39.46 0.00 0.00
330
+ ATOM 330 C PTH 1 96.34 81.82 40.46 0.00 0.00
331
+ ATOM 331 C PTH 1 96.34 82.82 35.46 0.00 0.00
332
+ ATOM 332 C PTH 1 96.34 82.82 36.46 0.00 0.00
333
+ ATOM 333 C PTH 1 96.34 82.82 37.46 0.00 0.00
334
+ ATOM 334 C PTH 1 96.34 82.82 38.46 0.00 0.00
335
+ ATOM 335 C PTH 1 96.34 82.82 39.46 0.00 0.00
336
+ ATOM 336 C PTH 1 96.34 82.82 40.46 0.00 0.00
337
+ ATOM 337 C PTH 1 96.34 83.82 36.46 0.00 0.00
338
+ ATOM 338 C PTH 1 96.34 83.82 37.46 0.00 0.00
339
+ ATOM 339 C PTH 1 96.34 83.82 38.46 0.00 0.00
340
+ ATOM 340 C PTH 1 96.34 83.82 39.46 0.00 0.00
341
+ ATOM 341 C PTH 1 96.34 83.82 40.46 0.00 0.00
342
+ ATOM 342 C PTH 1 96.34 83.82 41.46 0.00 0.00
343
+ ATOM 343 C PTH 1 96.34 84.82 37.46 0.00 0.00
344
+ ATOM 344 C PTH 1 96.34 84.82 38.46 0.00 0.00
345
+ ATOM 345 C PTH 1 96.34 84.82 39.46 0.00 0.00
346
+ ATOM 346 C PTH 1 96.34 84.82 40.46 0.00 0.00
347
+ ATOM 347 C PTH 1 96.34 84.82 41.46 0.00 0.00
348
+ ATOM 348 C PTH 1 96.34 85.82 41.46 0.00 0.00
349
+ ATOM 349 C PTH 1 97.34 79.82 36.46 0.00 0.00
350
+ ATOM 350 C PTH 1 97.34 80.82 36.46 0.00 0.00
351
+ ATOM 351 C PTH 1 97.34 80.82 37.46 0.00 0.00
352
+ ATOM 352 C PTH 1 97.34 80.82 38.46 0.00 0.00
353
+ ATOM 353 C PTH 1 97.34 81.82 35.46 0.00 0.00
354
+ ATOM 354 C PTH 1 97.34 81.82 36.46 0.00 0.00
355
+ ATOM 355 C PTH 1 97.34 81.82 37.46 0.00 0.00
356
+ ATOM 356 C PTH 1 97.34 81.82 38.46 0.00 0.00
357
+ ATOM 357 C PTH 1 97.34 81.82 39.46 0.00 0.00
358
+ ATOM 358 C PTH 1 97.34 81.82 40.46 0.00 0.00
359
+ ATOM 359 C PTH 1 97.34 82.82 35.46 0.00 0.00
360
+ ATOM 360 C PTH 1 97.34 82.82 36.46 0.00 0.00
361
+ ATOM 361 C PTH 1 97.34 82.82 37.46 0.00 0.00
362
+ ATOM 362 C PTH 1 97.34 82.82 38.46 0.00 0.00
363
+ ATOM 363 C PTH 1 97.34 82.82 39.46 0.00 0.00
364
+ ATOM 364 C PTH 1 97.34 82.82 40.46 0.00 0.00
365
+ ATOM 365 C PTH 1 97.34 82.82 41.46 0.00 0.00
366
+ ATOM 366 C PTH 1 97.34 83.82 36.46 0.00 0.00
367
+ ATOM 367 C PTH 1 97.34 83.82 37.46 0.00 0.00
368
+ ATOM 368 C PTH 1 97.34 83.82 38.46 0.00 0.00
369
+ ATOM 369 C PTH 1 97.34 83.82 39.46 0.00 0.00
370
+ ATOM 370 C PTH 1 97.34 83.82 40.46 0.00 0.00
371
+ ATOM 371 C PTH 1 97.34 83.82 41.46 0.00 0.00
372
+ ATOM 372 C PTH 1 97.34 84.82 37.46 0.00 0.00
373
+ ATOM 373 C PTH 1 97.34 84.82 38.46 0.00 0.00
374
+ ATOM 374 C PTH 1 97.34 84.82 39.46 0.00 0.00
375
+ ATOM 375 C PTH 1 97.34 84.82 40.46 0.00 0.00
376
+ ATOM 376 C PTH 1 97.34 84.82 41.46 0.00 0.00
377
+ ATOM 377 C PTH 1 97.34 84.82 42.46 0.00 0.00
378
+ ATOM 378 C PTH 1 97.34 85.82 40.46 0.00 0.00
379
+ ATOM 379 C PTH 1 97.34 85.82 41.46 0.00 0.00
380
+ ATOM 380 C PTH 1 97.34 85.82 42.46 0.00 0.00
381
+ ATOM 381 C PTH 1 97.34 86.82 41.46 0.00 0.00
382
+ ATOM 382 C PTH 1 97.34 86.82 42.46 0.00 0.00
383
+ ATOM 383 C PTH 1 98.34 80.82 36.46 0.00 0.00
384
+ ATOM 384 C PTH 1 98.34 80.82 37.46 0.00 0.00
385
+ ATOM 385 C PTH 1 98.34 81.82 36.46 0.00 0.00
386
+ ATOM 386 C PTH 1 98.34 81.82 37.46 0.00 0.00
387
+ ATOM 387 C PTH 1 98.34 81.82 38.46 0.00 0.00
388
+ ATOM 388 C PTH 1 98.34 81.82 39.46 0.00 0.00
389
+ ATOM 389 C PTH 1 98.34 81.82 40.46 0.00 0.00
390
+ ATOM 390 C PTH 1 98.34 82.82 36.46 0.00 0.00
391
+ ATOM 391 C PTH 1 98.34 82.82 37.46 0.00 0.00
392
+ ATOM 392 C PTH 1 98.34 82.82 38.46 0.00 0.00
393
+ ATOM 393 C PTH 1 98.34 82.82 39.46 0.00 0.00
394
+ ATOM 394 C PTH 1 98.34 82.82 40.46 0.00 0.00
395
+ ATOM 395 C PTH 1 98.34 82.82 41.46 0.00 0.00
396
+ ATOM 396 C PTH 1 98.34 83.82 36.46 0.00 0.00
397
+ ATOM 397 C PTH 1 98.34 83.82 37.46 0.00 0.00
398
+ ATOM 398 C PTH 1 98.34 83.82 38.46 0.00 0.00
399
+ ATOM 399 C PTH 1 98.34 83.82 39.46 0.00 0.00
400
+ ATOM 400 C PTH 1 98.34 83.82 40.46 0.00 0.00
401
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402
+ ATOM 402 C PTH 1 98.34 84.82 37.46 0.00 0.00
403
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404
+ ATOM 404 C PTH 1 98.34 84.82 39.46 0.00 0.00
405
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406
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407
+ ATOM 407 C PTH 1 98.34 84.82 42.46 0.00 0.00
408
+ ATOM 408 C PTH 1 98.34 85.82 39.46 0.00 0.00
409
+ ATOM 409 C PTH 1 98.34 85.82 40.46 0.00 0.00
410
+ ATOM 410 C PTH 1 98.34 85.82 41.46 0.00 0.00
411
+ ATOM 411 C PTH 1 98.34 85.82 42.46 0.00 0.00
412
+ ATOM 412 C PTH 1 98.34 85.82 43.46 0.00 0.00
413
+ ATOM 413 C PTH 1 98.34 86.82 41.46 0.00 0.00
414
+ ATOM 414 C PTH 1 98.34 86.82 42.46 0.00 0.00
415
+ ATOM 415 C PTH 1 98.34 86.82 43.46 0.00 0.00
416
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417
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418
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419
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420
+ ATOM 420 C PTH 1 98.34 88.82 41.46 0.00 0.00
421
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422
+ ATOM 422 C PTH 1 98.34 88.82 43.46 0.00 0.00
423
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424
+ ATOM 424 C PTH 1 98.34 89.82 41.46 0.00 0.00
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
+ ATOM 430 C PTH 1 98.34 93.82 43.46 0.00 0.00
431
+ ATOM 431 C PTH 1 98.34 93.82 44.46 0.00 0.00
432
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433
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434
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435
+ ATOM 435 C PTH 1 98.34 95.82 42.46 0.00 0.00
436
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437
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438
+ ATOM 438 C PTH 1 98.34 96.82 43.46 0.00 0.00
439
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440
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441
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442
+ ATOM 442 C PTH 1 99.34 81.82 39.46 0.00 0.00
443
+ ATOM 443 C PTH 1 99.34 81.82 40.46 0.00 0.00
444
+ ATOM 444 C PTH 1 99.34 82.82 36.46 0.00 0.00
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
+ ATOM 452 C PTH 1 99.34 83.82 38.46 0.00 0.00
453
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454
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455
+ ATOM 455 C PTH 1 99.34 83.82 41.46 0.00 0.00
456
+ ATOM 456 C PTH 1 99.34 83.82 42.46 0.00 0.00
457
+ ATOM 457 C PTH 1 99.34 84.82 36.46 0.00 0.00
458
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459
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460
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461
+ ATOM 461 C PTH 1 99.34 84.82 40.46 0.00 0.00
462
+ ATOM 462 C PTH 1 99.34 84.82 41.46 0.00 0.00
463
+ ATOM 463 C PTH 1 99.34 84.82 42.46 0.00 0.00
464
+ ATOM 464 C PTH 1 99.34 85.82 38.46 0.00 0.00
465
+ ATOM 465 C PTH 1 99.34 85.82 39.46 0.00 0.00
466
+ ATOM 466 C PTH 1 99.34 85.82 40.46 0.00 0.00
467
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468
+ ATOM 468 C PTH 1 99.34 85.82 42.46 0.00 0.00
469
+ ATOM 469 C PTH 1 99.34 85.82 43.46 0.00 0.00
470
+ ATOM 470 C PTH 1 99.34 86.82 40.46 0.00 0.00
471
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472
+ ATOM 472 C PTH 1 99.34 86.82 42.46 0.00 0.00
473
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474
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475
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476
+ ATOM 476 C PTH 1 99.34 87.82 41.46 0.00 0.00
477
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478
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479
+ ATOM 479 C PTH 1 99.34 87.82 44.46 0.00 0.00
480
+ ATOM 480 C PTH 1 99.34 88.82 40.46 0.00 0.00
481
+ ATOM 481 C PTH 1 99.34 88.82 41.46 0.00 0.00
482
+ ATOM 482 C PTH 1 99.34 88.82 42.46 0.00 0.00
483
+ ATOM 483 C PTH 1 99.34 88.82 43.46 0.00 0.00
484
+ ATOM 484 C PTH 1 99.34 88.82 44.46 0.00 0.00
485
+ ATOM 485 C PTH 1 99.34 89.82 41.46 0.00 0.00
486
+ ATOM 486 C PTH 1 99.34 89.82 42.46 0.00 0.00
487
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488
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489
+ ATOM 489 C PTH 1 99.34 89.82 45.46 0.00 0.00
490
+ ATOM 490 C PTH 1 99.34 90.82 41.46 0.00 0.00
491
+ ATOM 491 C PTH 1 99.34 90.82 42.46 0.00 0.00
492
+ ATOM 492 C PTH 1 99.34 90.82 43.46 0.00 0.00
493
+ ATOM 493 C PTH 1 99.34 90.82 44.46 0.00 0.00
494
+ ATOM 494 C PTH 1 99.34 90.82 45.46 0.00 0.00
495
+ ATOM 495 C PTH 1 99.34 91.82 41.46 0.00 0.00
496
+ ATOM 496 C PTH 1 99.34 91.82 42.46 0.00 0.00
497
+ ATOM 497 C PTH 1 99.34 91.82 43.46 0.00 0.00
498
+ ATOM 498 C PTH 1 99.34 91.82 44.46 0.00 0.00
499
+ ATOM 499 C PTH 1 99.34 91.82 45.46 0.00 0.00
500
+ ATOM 500 C PTH 1 99.34 92.82 42.46 0.00 0.00
501
+ ATOM 501 C PTH 1 99.34 92.82 43.46 0.00 0.00
502
+ ATOM 502 C PTH 1 99.34 92.82 44.46 0.00 0.00
503
+ ATOM 503 C PTH 1 99.34 92.82 45.46 0.00 0.00
504
+ ATOM 504 C PTH 1 99.34 93.82 41.46 0.00 0.00
505
+ ATOM 505 C PTH 1 99.34 93.82 42.46 0.00 0.00
506
+ ATOM 506 C PTH 1 99.34 93.82 43.46 0.00 0.00
507
+ ATOM 507 C PTH 1 99.34 93.82 44.46 0.00 0.00
508
+ ATOM 508 C PTH 1 99.34 93.82 45.46 0.00 0.00
509
+ ATOM 509 C PTH 1 99.34 94.82 41.46 0.00 0.00
510
+ ATOM 510 C PTH 1 99.34 94.82 42.46 0.00 0.00
511
+ ATOM 511 C PTH 1 99.34 94.82 43.46 0.00 0.00
512
+ ATOM 512 C PTH 1 99.34 94.82 44.46 0.00 0.00
513
+ ATOM 513 C PTH 1 99.34 94.82 45.46 0.00 0.00
514
+ ATOM 514 C PTH 1 99.34 95.82 41.46 0.00 0.00
515
+ ATOM 515 C PTH 1 99.34 95.82 42.46 0.00 0.00
516
+ ATOM 516 C PTH 1 99.34 95.82 43.46 0.00 0.00
517
+ ATOM 517 C PTH 1 99.34 95.82 44.46 0.00 0.00
518
+ ATOM 518 C PTH 1 99.34 95.82 45.46 0.00 0.00
519
+ ATOM 519 C PTH 1 99.34 96.82 40.46 0.00 0.00
520
+ ATOM 520 C PTH 1 99.34 96.82 41.46 0.00 0.00
521
+ ATOM 521 C PTH 1 99.34 96.82 42.46 0.00 0.00
522
+ ATOM 522 C PTH 1 99.34 96.82 43.46 0.00 0.00
523
+ ATOM 523 C PTH 1 99.34 96.82 44.46 0.00 0.00
524
+ ATOM 524 C PTH 1 99.34 97.82 40.46 0.00 0.00
525
+ ATOM 525 C PTH 1 99.34 97.82 41.46 0.00 0.00
526
+ ATOM 526 C PTH 1 99.34 97.82 42.46 0.00 0.00
527
+ ATOM 527 C PTH 1 99.34 97.82 43.46 0.00 0.00
528
+ ATOM 528 C PTH 1 99.34 98.82 41.46 0.00 0.00
529
+ ATOM 529 C PTH 1 99.34 98.82 42.46 0.00 0.00
530
+ ATOM 530 C PTH 1 100.34 81.82 36.46 0.00 0.00
531
+ ATOM 531 C PTH 1 100.34 81.82 37.46 0.00 0.00
532
+ ATOM 532 C PTH 1 100.34 81.82 38.46 0.00 0.00
533
+ ATOM 533 C PTH 1 100.34 81.82 39.46 0.00 0.00
534
+ ATOM 534 C PTH 1 100.34 81.82 40.46 0.00 0.00
535
+ ATOM 535 C PTH 1 100.34 82.82 35.46 0.00 0.00
536
+ ATOM 536 C PTH 1 100.34 82.82 36.46 0.00 0.00
537
+ ATOM 537 C PTH 1 100.34 82.82 37.46 0.00 0.00
538
+ ATOM 538 C PTH 1 100.34 82.82 38.46 0.00 0.00
539
+ ATOM 539 C PTH 1 100.34 82.82 39.46 0.00 0.00
540
+ ATOM 540 C PTH 1 100.34 82.82 40.46 0.00 0.00
541
+ ATOM 541 C PTH 1 100.34 82.82 41.46 0.00 0.00
542
+ ATOM 542 C PTH 1 100.34 83.82 35.46 0.00 0.00
543
+ ATOM 543 C PTH 1 100.34 83.82 36.46 0.00 0.00
544
+ ATOM 544 C PTH 1 100.34 83.82 37.46 0.00 0.00
545
+ ATOM 545 C PTH 1 100.34 83.82 38.46 0.00 0.00
546
+ ATOM 546 C PTH 1 100.34 83.82 39.46 0.00 0.00
547
+ ATOM 547 C PTH 1 100.34 83.82 40.46 0.00 0.00
548
+ ATOM 548 C PTH 1 100.34 83.82 41.46 0.00 0.00
549
+ ATOM 549 C PTH 1 100.34 83.82 42.46 0.00 0.00
550
+ ATOM 550 C PTH 1 100.34 84.82 35.46 0.00 0.00
551
+ ATOM 551 C PTH 1 100.34 84.82 36.46 0.00 0.00
552
+ ATOM 552 C PTH 1 100.34 84.82 37.46 0.00 0.00
553
+ ATOM 553 C PTH 1 100.34 84.82 38.46 0.00 0.00
554
+ ATOM 554 C PTH 1 100.34 84.82 39.46 0.00 0.00
555
+ ATOM 555 C PTH 1 100.34 84.82 40.46 0.00 0.00
556
+ ATOM 556 C PTH 1 100.34 84.82 41.46 0.00 0.00
557
+ ATOM 557 C PTH 1 100.34 84.82 42.46 0.00 0.00
558
+ ATOM 558 C PTH 1 100.34 85.82 36.46 0.00 0.00
559
+ ATOM 559 C PTH 1 100.34 85.82 37.46 0.00 0.00
560
+ ATOM 560 C PTH 1 100.34 85.82 38.46 0.00 0.00
561
+ ATOM 561 C PTH 1 100.34 85.82 39.46 0.00 0.00
562
+ ATOM 562 C PTH 1 100.34 85.82 40.46 0.00 0.00
563
+ ATOM 563 C PTH 1 100.34 85.82 41.46 0.00 0.00
564
+ ATOM 564 C PTH 1 100.34 85.82 42.46 0.00 0.00
565
+ ATOM 565 C PTH 1 100.34 85.82 43.46 0.00 0.00
566
+ ATOM 566 C PTH 1 100.34 86.82 40.46 0.00 0.00
567
+ ATOM 567 C PTH 1 100.34 86.82 41.46 0.00 0.00
568
+ ATOM 568 C PTH 1 100.34 86.82 42.46 0.00 0.00
569
+ ATOM 569 C PTH 1 100.34 86.82 43.46 0.00 0.00
570
+ ATOM 570 C PTH 1 100.34 86.82 44.46 0.00 0.00
571
+ ATOM 571 C PTH 1 100.34 87.82 40.46 0.00 0.00
572
+ ATOM 572 C PTH 1 100.34 87.82 41.46 0.00 0.00
573
+ ATOM 573 C PTH 1 100.34 87.82 42.46 0.00 0.00
574
+ ATOM 574 C PTH 1 100.34 87.82 43.46 0.00 0.00
575
+ ATOM 575 C PTH 1 100.34 87.82 44.46 0.00 0.00
576
+ ATOM 576 C PTH 1 100.34 88.82 40.46 0.00 0.00
577
+ ATOM 577 C PTH 1 100.34 88.82 41.46 0.00 0.00
578
+ ATOM 578 C PTH 1 100.34 88.82 42.46 0.00 0.00
579
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580
+ ATOM 580 C PTH 1 100.34 88.82 44.46 0.00 0.00
581
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582
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583
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584
+ ATOM 584 C PTH 1 100.34 89.82 44.46 0.00 0.00
585
+ ATOM 585 C PTH 1 100.34 89.82 45.46 0.00 0.00
586
+ ATOM 586 C PTH 1 100.34 90.82 41.46 0.00 0.00
587
+ ATOM 587 C PTH 1 100.34 90.82 42.46 0.00 0.00
588
+ ATOM 588 C PTH 1 100.34 90.82 43.46 0.00 0.00
589
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590
+ ATOM 590 C PTH 1 100.34 90.82 45.46 0.00 0.00
591
+ ATOM 591 C PTH 1 100.34 91.82 41.46 0.00 0.00
592
+ ATOM 592 C PTH 1 100.34 91.82 42.46 0.00 0.00
593
+ ATOM 593 C PTH 1 100.34 91.82 43.46 0.00 0.00
594
+ ATOM 594 C PTH 1 100.34 91.82 44.46 0.00 0.00
595
+ ATOM 595 C PTH 1 100.34 91.82 45.46 0.00 0.00
596
+ ATOM 596 C PTH 1 100.34 92.82 41.46 0.00 0.00
597
+ ATOM 597 C PTH 1 100.34 92.82 42.46 0.00 0.00
598
+ ATOM 598 C PTH 1 100.34 92.82 43.46 0.00 0.00
599
+ ATOM 599 C PTH 1 100.34 92.82 44.46 0.00 0.00
600
+ ATOM 600 C PTH 1 100.34 92.82 45.46 0.00 0.00
601
+ ATOM 601 C PTH 1 100.34 93.82 41.46 0.00 0.00
602
+ ATOM 602 C PTH 1 100.34 93.82 42.46 0.00 0.00
603
+ ATOM 603 C PTH 1 100.34 93.82 43.46 0.00 0.00
604
+ ATOM 604 C PTH 1 100.34 93.82 44.46 0.00 0.00
605
+ ATOM 605 C PTH 1 100.34 93.82 45.46 0.00 0.00
606
+ ATOM 606 C PTH 1 100.34 94.82 40.46 0.00 0.00
607
+ ATOM 607 C PTH 1 100.34 94.82 41.46 0.00 0.00
608
+ ATOM 608 C PTH 1 100.34 94.82 42.46 0.00 0.00
609
+ ATOM 609 C PTH 1 100.34 94.82 43.46 0.00 0.00
610
+ ATOM 610 C PTH 1 100.34 94.82 44.46 0.00 0.00
611
+ ATOM 611 C PTH 1 100.34 94.82 45.46 0.00 0.00
612
+ ATOM 612 C PTH 1 100.34 95.82 40.46 0.00 0.00
613
+ ATOM 613 C PTH 1 100.34 95.82 41.46 0.00 0.00
614
+ ATOM 614 C PTH 1 100.34 95.82 42.46 0.00 0.00
615
+ ATOM 615 C PTH 1 100.34 95.82 43.46 0.00 0.00
616
+ ATOM 616 C PTH 1 100.34 95.82 44.46 0.00 0.00
617
+ ATOM 617 C PTH 1 100.34 96.82 40.46 0.00 0.00
618
+ ATOM 618 C PTH 1 100.34 96.82 41.46 0.00 0.00
619
+ ATOM 619 C PTH 1 100.34 96.82 42.46 0.00 0.00
620
+ ATOM 620 C PTH 1 100.34 96.82 43.46 0.00 0.00
621
+ ATOM 621 C PTH 1 100.34 96.82 44.46 0.00 0.00
622
+ ATOM 622 C PTH 1 100.34 97.82 40.46 0.00 0.00
623
+ ATOM 623 C PTH 1 100.34 97.82 41.46 0.00 0.00
624
+ ATOM 624 C PTH 1 100.34 97.82 42.46 0.00 0.00
625
+ ATOM 625 C PTH 1 100.34 97.82 43.46 0.00 0.00
626
+ ATOM 626 C PTH 1 100.34 97.82 44.46 0.00 0.00
627
+ ATOM 627 C PTH 1 100.34 98.82 41.46 0.00 0.00
628
+ ATOM 628 C PTH 1 100.34 98.82 42.46 0.00 0.00
629
+ ATOM 629 C PTH 1 100.34 98.82 43.46 0.00 0.00
630
+ ATOM 630 C PTH 1 101.34 81.82 36.46 0.00 0.00
631
+ ATOM 631 C PTH 1 101.34 81.82 37.46 0.00 0.00
632
+ ATOM 632 C PTH 1 101.34 81.82 38.46 0.00 0.00
633
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634
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635
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636
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637
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638
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639
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640
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641
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642
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643
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644
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645
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646
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647
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648
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649
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650
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651
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652
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653
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654
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655
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656
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657
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658
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659
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660
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661
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662
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663
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664
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665
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666
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667
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668
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669
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670
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671
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672
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673
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674
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675
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676
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677
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678
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679
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680
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681
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682
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683
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684
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685
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686
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687
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688
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689
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690
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691
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692
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693
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694
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695
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696
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697
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698
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699
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700
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701
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702
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703
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704
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705
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706
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707
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708
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709
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710
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711
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712
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713
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714
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715
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716
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717
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718
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719
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720
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721
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722
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723
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724
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725
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726
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727
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728
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729
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730
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731
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732
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733
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734
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735
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736
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737
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738
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739
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740
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741
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742
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743
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744
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745
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746
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747
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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
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760
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761
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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
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800
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801
+ ATOM 801 C PTH 1 104.34 83.82 38.46 0.00 0.00
802
+ ATOM 802 C PTH 1 104.34 83.82 39.46 0.00 0.00
803
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804
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805
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806
+ ATOM 806 C PTH 1 104.34 84.82 39.46 0.00 0.00
807
+ ATOM 807 C PTH 1 104.34 84.82 40.46 0.00 0.00
data/files/A0011/pocket_02.pdb ADDED
@@ -0,0 +1,611 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 91.34 68.82 26.46 0.00 0.00
2
+ ATOM 2 C PTH 1 91.34 69.82 25.46 0.00 0.00
3
+ ATOM 3 C PTH 1 91.34 69.82 26.46 0.00 0.00
4
+ ATOM 4 C PTH 1 91.34 69.82 27.46 0.00 0.00
5
+ ATOM 5 C PTH 1 91.34 69.82 28.46 0.00 0.00
6
+ ATOM 6 C PTH 1 91.34 70.82 25.46 0.00 0.00
7
+ ATOM 7 C PTH 1 91.34 70.82 26.46 0.00 0.00
8
+ ATOM 8 C PTH 1 91.34 70.82 27.46 0.00 0.00
9
+ ATOM 9 C PTH 1 91.34 71.82 26.46 0.00 0.00
10
+ ATOM 10 C PTH 1 91.34 71.82 27.46 0.00 0.00
11
+ ATOM 11 C PTH 1 91.34 71.82 28.46 0.00 0.00
12
+ ATOM 12 C PTH 1 91.34 72.82 27.46 0.00 0.00
13
+ ATOM 13 C PTH 1 91.34 72.82 28.46 0.00 0.00
14
+ ATOM 14 C PTH 1 91.34 72.82 29.46 0.00 0.00
15
+ ATOM 15 C PTH 1 92.34 69.82 25.46 0.00 0.00
16
+ ATOM 16 C PTH 1 92.34 69.82 26.46 0.00 0.00
17
+ ATOM 17 C PTH 1 92.34 69.82 27.46 0.00 0.00
18
+ ATOM 18 C PTH 1 92.34 69.82 28.46 0.00 0.00
19
+ ATOM 19 C PTH 1 92.34 70.82 24.46 0.00 0.00
20
+ ATOM 20 C PTH 1 92.34 70.82 25.46 0.00 0.00
21
+ ATOM 21 C PTH 1 92.34 70.82 26.46 0.00 0.00
22
+ ATOM 22 C PTH 1 92.34 70.82 27.46 0.00 0.00
23
+ ATOM 23 C PTH 1 92.34 70.82 28.46 0.00 0.00
24
+ ATOM 24 C PTH 1 92.34 71.82 25.46 0.00 0.00
25
+ ATOM 25 C PTH 1 92.34 71.82 26.46 0.00 0.00
26
+ ATOM 26 C PTH 1 92.34 71.82 27.46 0.00 0.00
27
+ ATOM 27 C PTH 1 92.34 71.82 28.46 0.00 0.00
28
+ ATOM 28 C PTH 1 92.34 72.82 27.46 0.00 0.00
29
+ ATOM 29 C PTH 1 92.34 72.82 28.46 0.00 0.00
30
+ ATOM 30 C PTH 1 92.34 72.82 29.46 0.00 0.00
31
+ ATOM 31 C PTH 1 92.34 73.82 28.46 0.00 0.00
32
+ ATOM 32 C PTH 1 92.34 73.82 29.46 0.00 0.00
33
+ ATOM 33 C PTH 1 93.34 69.82 25.46 0.00 0.00
34
+ ATOM 34 C PTH 1 93.34 69.82 26.46 0.00 0.00
35
+ ATOM 35 C PTH 1 93.34 69.82 27.46 0.00 0.00
36
+ ATOM 36 C PTH 1 93.34 69.82 28.46 0.00 0.00
37
+ ATOM 37 C PTH 1 93.34 70.82 24.46 0.00 0.00
38
+ ATOM 38 C PTH 1 93.34 70.82 25.46 0.00 0.00
39
+ ATOM 39 C PTH 1 93.34 70.82 26.46 0.00 0.00
40
+ ATOM 40 C PTH 1 93.34 70.82 27.46 0.00 0.00
41
+ ATOM 41 C PTH 1 93.34 70.82 28.46 0.00 0.00
42
+ ATOM 42 C PTH 1 93.34 71.82 25.46 0.00 0.00
43
+ ATOM 43 C PTH 1 93.34 71.82 26.46 0.00 0.00
44
+ ATOM 44 C PTH 1 93.34 71.82 27.46 0.00 0.00
45
+ ATOM 45 C PTH 1 93.34 71.82 28.46 0.00 0.00
46
+ ATOM 46 C PTH 1 93.34 72.82 26.46 0.00 0.00
47
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48
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49
+ ATOM 49 C PTH 1 93.34 72.82 29.46 0.00 0.00
50
+ ATOM 50 C PTH 1 93.34 73.82 27.46 0.00 0.00
51
+ ATOM 51 C PTH 1 93.34 73.82 28.46 0.00 0.00
52
+ ATOM 52 C PTH 1 93.34 73.82 29.46 0.00 0.00
53
+ ATOM 53 C PTH 1 93.34 73.82 30.46 0.00 0.00
54
+ ATOM 54 C PTH 1 93.34 73.82 31.46 0.00 0.00
55
+ ATOM 55 C PTH 1 93.34 74.82 28.46 0.00 0.00
56
+ ATOM 56 C PTH 1 93.34 74.82 29.46 0.00 0.00
57
+ ATOM 57 C PTH 1 93.34 74.82 30.46 0.00 0.00
58
+ ATOM 58 C PTH 1 93.34 74.82 31.46 0.00 0.00
59
+ ATOM 59 C PTH 1 93.34 74.82 32.46 0.00 0.00
60
+ ATOM 60 C PTH 1 93.34 74.82 33.46 0.00 0.00
61
+ ATOM 61 C PTH 1 93.34 75.82 29.46 0.00 0.00
62
+ ATOM 62 C PTH 1 93.34 75.82 30.46 0.00 0.00
63
+ ATOM 63 C PTH 1 93.34 75.82 31.46 0.00 0.00
64
+ ATOM 64 C PTH 1 93.34 75.82 32.46 0.00 0.00
65
+ ATOM 65 C PTH 1 93.34 76.82 30.46 0.00 0.00
66
+ ATOM 66 C PTH 1 93.34 76.82 31.46 0.00 0.00
67
+ ATOM 67 C PTH 1 93.34 76.82 32.46 0.00 0.00
68
+ ATOM 68 C PTH 1 93.34 76.82 33.46 0.00 0.00
69
+ ATOM 69 C PTH 1 93.34 77.82 31.46 0.00 0.00
70
+ ATOM 70 C PTH 1 93.34 77.82 32.46 0.00 0.00
71
+ ATOM 71 C PTH 1 93.34 77.82 33.46 0.00 0.00
72
+ ATOM 72 C PTH 1 93.34 77.82 34.46 0.00 0.00
73
+ ATOM 73 C PTH 1 94.34 68.82 27.46 0.00 0.00
74
+ ATOM 74 C PTH 1 94.34 68.82 28.46 0.00 0.00
75
+ ATOM 75 C PTH 1 94.34 69.82 25.46 0.00 0.00
76
+ ATOM 76 C PTH 1 94.34 69.82 26.46 0.00 0.00
77
+ ATOM 77 C PTH 1 94.34 69.82 27.46 0.00 0.00
78
+ ATOM 78 C PTH 1 94.34 69.82 28.46 0.00 0.00
79
+ ATOM 79 C PTH 1 94.34 70.82 25.46 0.00 0.00
80
+ ATOM 80 C PTH 1 94.34 70.82 26.46 0.00 0.00
81
+ ATOM 81 C PTH 1 94.34 70.82 27.46 0.00 0.00
82
+ ATOM 82 C PTH 1 94.34 70.82 28.46 0.00 0.00
83
+ ATOM 83 C PTH 1 94.34 71.82 25.46 0.00 0.00
84
+ ATOM 84 C PTH 1 94.34 71.82 26.46 0.00 0.00
85
+ ATOM 85 C PTH 1 94.34 71.82 27.46 0.00 0.00
86
+ ATOM 86 C PTH 1 94.34 71.82 28.46 0.00 0.00
87
+ ATOM 87 C PTH 1 94.34 71.82 29.46 0.00 0.00
88
+ ATOM 88 C PTH 1 94.34 72.82 25.46 0.00 0.00
89
+ ATOM 89 C PTH 1 94.34 72.82 26.46 0.00 0.00
90
+ ATOM 90 C PTH 1 94.34 72.82 27.46 0.00 0.00
91
+ ATOM 91 C PTH 1 94.34 72.82 28.46 0.00 0.00
92
+ ATOM 92 C PTH 1 94.34 72.82 29.46 0.00 0.00
93
+ ATOM 93 C PTH 1 94.34 72.82 30.46 0.00 0.00
94
+ ATOM 94 C PTH 1 94.34 73.82 26.46 0.00 0.00
95
+ ATOM 95 C PTH 1 94.34 73.82 27.46 0.00 0.00
96
+ ATOM 96 C PTH 1 94.34 73.82 28.46 0.00 0.00
97
+ ATOM 97 C PTH 1 94.34 73.82 29.46 0.00 0.00
98
+ ATOM 98 C PTH 1 94.34 73.82 30.46 0.00 0.00
99
+ ATOM 99 C PTH 1 94.34 73.82 31.46 0.00 0.00
100
+ ATOM 100 C PTH 1 94.34 73.82 32.46 0.00 0.00
101
+ ATOM 101 C PTH 1 94.34 74.82 28.46 0.00 0.00
102
+ ATOM 102 C PTH 1 94.34 74.82 29.46 0.00 0.00
103
+ ATOM 103 C PTH 1 94.34 74.82 30.46 0.00 0.00
104
+ ATOM 104 C PTH 1 94.34 74.82 31.46 0.00 0.00
105
+ ATOM 105 C PTH 1 94.34 74.82 32.46 0.00 0.00
106
+ ATOM 106 C PTH 1 94.34 74.82 33.46 0.00 0.00
107
+ ATOM 107 C PTH 1 94.34 75.82 29.46 0.00 0.00
108
+ ATOM 108 C PTH 1 94.34 75.82 30.46 0.00 0.00
109
+ ATOM 109 C PTH 1 94.34 75.82 31.46 0.00 0.00
110
+ ATOM 110 C PTH 1 94.34 75.82 32.46 0.00 0.00
111
+ ATOM 111 C PTH 1 94.34 75.82 33.46 0.00 0.00
112
+ ATOM 112 C PTH 1 94.34 76.82 30.46 0.00 0.00
113
+ ATOM 113 C PTH 1 94.34 76.82 31.46 0.00 0.00
114
+ ATOM 114 C PTH 1 94.34 76.82 32.46 0.00 0.00
115
+ ATOM 115 C PTH 1 94.34 76.82 33.46 0.00 0.00
116
+ ATOM 116 C PTH 1 94.34 77.82 31.46 0.00 0.00
117
+ ATOM 117 C PTH 1 94.34 77.82 32.46 0.00 0.00
118
+ ATOM 118 C PTH 1 94.34 77.82 33.46 0.00 0.00
119
+ ATOM 119 C PTH 1 94.34 77.82 34.46 0.00 0.00
120
+ ATOM 120 C PTH 1 95.34 67.82 28.46 0.00 0.00
121
+ ATOM 121 C PTH 1 95.34 68.82 26.46 0.00 0.00
122
+ ATOM 122 C PTH 1 95.34 68.82 27.46 0.00 0.00
123
+ ATOM 123 C PTH 1 95.34 68.82 28.46 0.00 0.00
124
+ ATOM 124 C PTH 1 95.34 68.82 29.46 0.00 0.00
125
+ ATOM 125 C PTH 1 95.34 69.82 25.46 0.00 0.00
126
+ ATOM 126 C PTH 1 95.34 69.82 26.46 0.00 0.00
127
+ ATOM 127 C PTH 1 95.34 69.82 27.46 0.00 0.00
128
+ ATOM 128 C PTH 1 95.34 69.82 28.46 0.00 0.00
129
+ ATOM 129 C PTH 1 95.34 69.82 29.46 0.00 0.00
130
+ ATOM 130 C PTH 1 95.34 70.82 24.46 0.00 0.00
131
+ ATOM 131 C PTH 1 95.34 70.82 25.46 0.00 0.00
132
+ ATOM 132 C PTH 1 95.34 70.82 26.46 0.00 0.00
133
+ ATOM 133 C PTH 1 95.34 70.82 27.46 0.00 0.00
134
+ ATOM 134 C PTH 1 95.34 70.82 28.46 0.00 0.00
135
+ ATOM 135 C PTH 1 95.34 70.82 29.46 0.00 0.00
136
+ ATOM 136 C PTH 1 95.34 71.82 24.46 0.00 0.00
137
+ ATOM 137 C PTH 1 95.34 71.82 25.46 0.00 0.00
138
+ ATOM 138 C PTH 1 95.34 71.82 26.46 0.00 0.00
139
+ ATOM 139 C PTH 1 95.34 71.82 27.46 0.00 0.00
140
+ ATOM 140 C PTH 1 95.34 71.82 28.46 0.00 0.00
141
+ ATOM 141 C PTH 1 95.34 71.82 29.46 0.00 0.00
142
+ ATOM 142 C PTH 1 95.34 71.82 30.46 0.00 0.00
143
+ ATOM 143 C PTH 1 95.34 71.82 34.46 0.00 0.00
144
+ ATOM 144 C PTH 1 95.34 72.82 24.46 0.00 0.00
145
+ ATOM 145 C PTH 1 95.34 72.82 25.46 0.00 0.00
146
+ ATOM 146 C PTH 1 95.34 72.82 26.46 0.00 0.00
147
+ ATOM 147 C PTH 1 95.34 72.82 27.46 0.00 0.00
148
+ ATOM 148 C PTH 1 95.34 72.82 28.46 0.00 0.00
149
+ ATOM 149 C PTH 1 95.34 72.82 29.46 0.00 0.00
150
+ ATOM 150 C PTH 1 95.34 72.82 30.46 0.00 0.00
151
+ ATOM 151 C PTH 1 95.34 72.82 31.46 0.00 0.00
152
+ ATOM 152 C PTH 1 95.34 72.82 32.46 0.00 0.00
153
+ ATOM 153 C PTH 1 95.34 72.82 33.46 0.00 0.00
154
+ ATOM 154 C PTH 1 95.34 72.82 34.46 0.00 0.00
155
+ ATOM 155 C PTH 1 95.34 73.82 25.46 0.00 0.00
156
+ ATOM 156 C PTH 1 95.34 73.82 26.46 0.00 0.00
157
+ ATOM 157 C PTH 1 95.34 73.82 27.46 0.00 0.00
158
+ ATOM 158 C PTH 1 95.34 73.82 28.46 0.00 0.00
159
+ ATOM 159 C PTH 1 95.34 73.82 29.46 0.00 0.00
160
+ ATOM 160 C PTH 1 95.34 73.82 30.46 0.00 0.00
161
+ ATOM 161 C PTH 1 95.34 73.82 31.46 0.00 0.00
162
+ ATOM 162 C PTH 1 95.34 73.82 32.46 0.00 0.00
163
+ ATOM 163 C PTH 1 95.34 73.82 33.46 0.00 0.00
164
+ ATOM 164 C PTH 1 95.34 74.82 28.46 0.00 0.00
165
+ ATOM 165 C PTH 1 95.34 74.82 29.46 0.00 0.00
166
+ ATOM 166 C PTH 1 95.34 74.82 30.46 0.00 0.00
167
+ ATOM 167 C PTH 1 95.34 74.82 31.46 0.00 0.00
168
+ ATOM 168 C PTH 1 95.34 74.82 32.46 0.00 0.00
169
+ ATOM 169 C PTH 1 95.34 74.82 33.46 0.00 0.00
170
+ ATOM 170 C PTH 1 95.34 75.82 30.46 0.00 0.00
171
+ ATOM 171 C PTH 1 95.34 75.82 31.46 0.00 0.00
172
+ ATOM 172 C PTH 1 95.34 75.82 32.46 0.00 0.00
173
+ ATOM 173 C PTH 1 95.34 75.82 33.46 0.00 0.00
174
+ ATOM 174 C PTH 1 95.34 76.82 31.46 0.00 0.00
175
+ ATOM 175 C PTH 1 95.34 76.82 32.46 0.00 0.00
176
+ ATOM 176 C PTH 1 95.34 76.82 33.46 0.00 0.00
177
+ ATOM 177 C PTH 1 95.34 77.82 32.46 0.00 0.00
178
+ ATOM 178 C PTH 1 95.34 77.82 33.46 0.00 0.00
179
+ ATOM 179 C PTH 1 95.34 77.82 34.46 0.00 0.00
180
+ ATOM 180 C PTH 1 96.34 67.82 27.46 0.00 0.00
181
+ ATOM 181 C PTH 1 96.34 67.82 28.46 0.00 0.00
182
+ ATOM 182 C PTH 1 96.34 67.82 29.46 0.00 0.00
183
+ ATOM 183 C PTH 1 96.34 68.82 26.46 0.00 0.00
184
+ ATOM 184 C PTH 1 96.34 68.82 27.46 0.00 0.00
185
+ ATOM 185 C PTH 1 96.34 68.82 28.46 0.00 0.00
186
+ ATOM 186 C PTH 1 96.34 68.82 29.46 0.00 0.00
187
+ ATOM 187 C PTH 1 96.34 69.82 25.46 0.00 0.00
188
+ ATOM 188 C PTH 1 96.34 69.82 26.46 0.00 0.00
189
+ ATOM 189 C PTH 1 96.34 69.82 27.46 0.00 0.00
190
+ ATOM 190 C PTH 1 96.34 69.82 28.46 0.00 0.00
191
+ ATOM 191 C PTH 1 96.34 69.82 29.46 0.00 0.00
192
+ ATOM 192 C PTH 1 96.34 69.82 30.46 0.00 0.00
193
+ ATOM 193 C PTH 1 96.34 70.82 25.46 0.00 0.00
194
+ ATOM 194 C PTH 1 96.34 70.82 26.46 0.00 0.00
195
+ ATOM 195 C PTH 1 96.34 70.82 27.46 0.00 0.00
196
+ ATOM 196 C PTH 1 96.34 70.82 28.46 0.00 0.00
197
+ ATOM 197 C PTH 1 96.34 70.82 29.46 0.00 0.00
198
+ ATOM 198 C PTH 1 96.34 70.82 30.46 0.00 0.00
199
+ ATOM 199 C PTH 1 96.34 71.82 24.46 0.00 0.00
200
+ ATOM 200 C PTH 1 96.34 71.82 25.46 0.00 0.00
201
+ ATOM 201 C PTH 1 96.34 71.82 26.46 0.00 0.00
202
+ ATOM 202 C PTH 1 96.34 71.82 27.46 0.00 0.00
203
+ ATOM 203 C PTH 1 96.34 71.82 28.46 0.00 0.00
204
+ ATOM 204 C PTH 1 96.34 71.82 29.46 0.00 0.00
205
+ ATOM 205 C PTH 1 96.34 71.82 30.46 0.00 0.00
206
+ ATOM 206 C PTH 1 96.34 71.82 31.46 0.00 0.00
207
+ ATOM 207 C PTH 1 96.34 71.82 34.46 0.00 0.00
208
+ ATOM 208 C PTH 1 96.34 72.82 24.46 0.00 0.00
209
+ ATOM 209 C PTH 1 96.34 72.82 25.46 0.00 0.00
210
+ ATOM 210 C PTH 1 96.34 72.82 26.46 0.00 0.00
211
+ ATOM 211 C PTH 1 96.34 72.82 27.46 0.00 0.00
212
+ ATOM 212 C PTH 1 96.34 72.82 28.46 0.00 0.00
213
+ ATOM 213 C PTH 1 96.34 72.82 29.46 0.00 0.00
214
+ ATOM 214 C PTH 1 96.34 72.82 30.46 0.00 0.00
215
+ ATOM 215 C PTH 1 96.34 72.82 31.46 0.00 0.00
216
+ ATOM 216 C PTH 1 96.34 72.82 32.46 0.00 0.00
217
+ ATOM 217 C PTH 1 96.34 72.82 33.46 0.00 0.00
218
+ ATOM 218 C PTH 1 96.34 72.82 34.46 0.00 0.00
219
+ ATOM 219 C PTH 1 96.34 73.82 25.46 0.00 0.00
220
+ ATOM 220 C PTH 1 96.34 73.82 26.46 0.00 0.00
221
+ ATOM 221 C PTH 1 96.34 73.82 27.46 0.00 0.00
222
+ ATOM 222 C PTH 1 96.34 73.82 28.46 0.00 0.00
223
+ ATOM 223 C PTH 1 96.34 73.82 29.46 0.00 0.00
224
+ ATOM 224 C PTH 1 96.34 73.82 30.46 0.00 0.00
225
+ ATOM 225 C PTH 1 96.34 73.82 31.46 0.00 0.00
226
+ ATOM 226 C PTH 1 96.34 73.82 32.46 0.00 0.00
227
+ ATOM 227 C PTH 1 96.34 73.82 33.46 0.00 0.00
228
+ ATOM 228 C PTH 1 96.34 73.82 34.46 0.00 0.00
229
+ ATOM 229 C PTH 1 96.34 73.82 35.46 0.00 0.00
230
+ ATOM 230 C PTH 1 96.34 74.82 27.46 0.00 0.00
231
+ ATOM 231 C PTH 1 96.34 74.82 28.46 0.00 0.00
232
+ ATOM 232 C PTH 1 96.34 74.82 29.46 0.00 0.00
233
+ ATOM 233 C PTH 1 96.34 74.82 30.46 0.00 0.00
234
+ ATOM 234 C PTH 1 96.34 74.82 31.46 0.00 0.00
235
+ ATOM 235 C PTH 1 96.34 74.82 32.46 0.00 0.00
236
+ ATOM 236 C PTH 1 96.34 74.82 33.46 0.00 0.00
237
+ ATOM 237 C PTH 1 96.34 74.82 34.46 0.00 0.00
238
+ ATOM 238 C PTH 1 96.34 75.82 29.46 0.00 0.00
239
+ ATOM 239 C PTH 1 96.34 75.82 30.46 0.00 0.00
240
+ ATOM 240 C PTH 1 96.34 75.82 31.46 0.00 0.00
241
+ ATOM 241 C PTH 1 96.34 75.82 32.46 0.00 0.00
242
+ ATOM 242 C PTH 1 96.34 75.82 33.46 0.00 0.00
243
+ ATOM 243 C PTH 1 96.34 76.82 30.46 0.00 0.00
244
+ ATOM 244 C PTH 1 96.34 76.82 31.46 0.00 0.00
245
+ ATOM 245 C PTH 1 96.34 76.82 32.46 0.00 0.00
246
+ ATOM 246 C PTH 1 96.34 76.82 33.46 0.00 0.00
247
+ ATOM 247 C PTH 1 96.34 77.82 32.46 0.00 0.00
248
+ ATOM 248 C PTH 1 96.34 77.82 33.46 0.00 0.00
249
+ ATOM 249 C PTH 1 96.34 77.82 34.46 0.00 0.00
250
+ ATOM 250 C PTH 1 96.34 78.82 32.46 0.00 0.00
251
+ ATOM 251 C PTH 1 96.34 78.82 33.46 0.00 0.00
252
+ ATOM 252 C PTH 1 96.34 78.82 34.46 0.00 0.00
253
+ ATOM 253 C PTH 1 96.34 78.82 35.46 0.00 0.00
254
+ ATOM 254 C PTH 1 96.34 79.82 33.46 0.00 0.00
255
+ ATOM 255 C PTH 1 96.34 79.82 34.46 0.00 0.00
256
+ ATOM 256 C PTH 1 96.34 79.82 35.46 0.00 0.00
257
+ ATOM 257 C PTH 1 96.34 80.82 33.46 0.00 0.00
258
+ ATOM 258 C PTH 1 96.34 80.82 34.46 0.00 0.00
259
+ ATOM 259 C PTH 1 96.34 80.82 35.46 0.00 0.00
260
+ ATOM 260 C PTH 1 97.34 67.82 28.46 0.00 0.00
261
+ ATOM 261 C PTH 1 97.34 67.82 29.46 0.00 0.00
262
+ ATOM 262 C PTH 1 97.34 68.82 27.46 0.00 0.00
263
+ ATOM 263 C PTH 1 97.34 68.82 28.46 0.00 0.00
264
+ ATOM 264 C PTH 1 97.34 68.82 29.46 0.00 0.00
265
+ ATOM 265 C PTH 1 97.34 69.82 25.46 0.00 0.00
266
+ ATOM 266 C PTH 1 97.34 69.82 26.46 0.00 0.00
267
+ ATOM 267 C PTH 1 97.34 69.82 27.46 0.00 0.00
268
+ ATOM 268 C PTH 1 97.34 69.82 28.46 0.00 0.00
269
+ ATOM 269 C PTH 1 97.34 69.82 29.46 0.00 0.00
270
+ ATOM 270 C PTH 1 97.34 69.82 30.46 0.00 0.00
271
+ ATOM 271 C PTH 1 97.34 70.82 25.46 0.00 0.00
272
+ ATOM 272 C PTH 1 97.34 70.82 26.46 0.00 0.00
273
+ ATOM 273 C PTH 1 97.34 70.82 27.46 0.00 0.00
274
+ ATOM 274 C PTH 1 97.34 70.82 28.46 0.00 0.00
275
+ ATOM 275 C PTH 1 97.34 70.82 29.46 0.00 0.00
276
+ ATOM 276 C PTH 1 97.34 70.82 30.46 0.00 0.00
277
+ ATOM 277 C PTH 1 97.34 71.82 25.46 0.00 0.00
278
+ ATOM 278 C PTH 1 97.34 71.82 26.46 0.00 0.00
279
+ ATOM 279 C PTH 1 97.34 71.82 27.46 0.00 0.00
280
+ ATOM 280 C PTH 1 97.34 71.82 28.46 0.00 0.00
281
+ ATOM 281 C PTH 1 97.34 71.82 29.46 0.00 0.00
282
+ ATOM 282 C PTH 1 97.34 71.82 30.46 0.00 0.00
283
+ ATOM 283 C PTH 1 97.34 71.82 31.46 0.00 0.00
284
+ ATOM 284 C PTH 1 97.34 72.82 25.46 0.00 0.00
285
+ ATOM 285 C PTH 1 97.34 72.82 26.46 0.00 0.00
286
+ ATOM 286 C PTH 1 97.34 72.82 27.46 0.00 0.00
287
+ ATOM 287 C PTH 1 97.34 72.82 28.46 0.00 0.00
288
+ ATOM 288 C PTH 1 97.34 72.82 29.46 0.00 0.00
289
+ ATOM 289 C PTH 1 97.34 72.82 30.46 0.00 0.00
290
+ ATOM 290 C PTH 1 97.34 72.82 31.46 0.00 0.00
291
+ ATOM 291 C PTH 1 97.34 72.82 32.46 0.00 0.00
292
+ ATOM 292 C PTH 1 97.34 72.82 33.46 0.00 0.00
293
+ ATOM 293 C PTH 1 97.34 72.82 34.46 0.00 0.00
294
+ ATOM 294 C PTH 1 97.34 73.82 26.46 0.00 0.00
295
+ ATOM 295 C PTH 1 97.34 73.82 27.46 0.00 0.00
296
+ ATOM 296 C PTH 1 97.34 73.82 28.46 0.00 0.00
297
+ ATOM 297 C PTH 1 97.34 73.82 29.46 0.00 0.00
298
+ ATOM 298 C PTH 1 97.34 73.82 30.46 0.00 0.00
299
+ ATOM 299 C PTH 1 97.34 73.82 31.46 0.00 0.00
300
+ ATOM 300 C PTH 1 97.34 73.82 32.46 0.00 0.00
301
+ ATOM 301 C PTH 1 97.34 73.82 33.46 0.00 0.00
302
+ ATOM 302 C PTH 1 97.34 73.82 34.46 0.00 0.00
303
+ ATOM 303 C PTH 1 97.34 73.82 35.46 0.00 0.00
304
+ ATOM 304 C PTH 1 97.34 74.82 28.46 0.00 0.00
305
+ ATOM 305 C PTH 1 97.34 74.82 29.46 0.00 0.00
306
+ ATOM 306 C PTH 1 97.34 74.82 30.46 0.00 0.00
307
+ ATOM 307 C PTH 1 97.34 74.82 31.46 0.00 0.00
308
+ ATOM 308 C PTH 1 97.34 74.82 32.46 0.00 0.00
309
+ ATOM 309 C PTH 1 97.34 74.82 33.46 0.00 0.00
310
+ ATOM 310 C PTH 1 97.34 74.82 34.46 0.00 0.00
311
+ ATOM 311 C PTH 1 97.34 75.82 29.46 0.00 0.00
312
+ ATOM 312 C PTH 1 97.34 75.82 30.46 0.00 0.00
313
+ ATOM 313 C PTH 1 97.34 75.82 31.46 0.00 0.00
314
+ ATOM 314 C PTH 1 97.34 75.82 32.46 0.00 0.00
315
+ ATOM 315 C PTH 1 97.34 75.82 33.46 0.00 0.00
316
+ ATOM 316 C PTH 1 97.34 75.82 34.46 0.00 0.00
317
+ ATOM 317 C PTH 1 97.34 76.82 30.46 0.00 0.00
318
+ ATOM 318 C PTH 1 97.34 76.82 31.46 0.00 0.00
319
+ ATOM 319 C PTH 1 97.34 76.82 32.46 0.00 0.00
320
+ ATOM 320 C PTH 1 97.34 76.82 33.46 0.00 0.00
321
+ ATOM 321 C PTH 1 97.34 76.82 34.46 0.00 0.00
322
+ ATOM 322 C PTH 1 97.34 77.82 31.46 0.00 0.00
323
+ ATOM 323 C PTH 1 97.34 77.82 32.46 0.00 0.00
324
+ ATOM 324 C PTH 1 97.34 77.82 33.46 0.00 0.00
325
+ ATOM 325 C PTH 1 97.34 77.82 34.46 0.00 0.00
326
+ ATOM 326 C PTH 1 97.34 78.82 32.46 0.00 0.00
327
+ ATOM 327 C PTH 1 97.34 78.82 33.46 0.00 0.00
328
+ ATOM 328 C PTH 1 97.34 78.82 34.46 0.00 0.00
329
+ ATOM 329 C PTH 1 97.34 78.82 35.46 0.00 0.00
330
+ ATOM 330 C PTH 1 97.34 79.82 32.46 0.00 0.00
331
+ ATOM 331 C PTH 1 97.34 79.82 33.46 0.00 0.00
332
+ ATOM 332 C PTH 1 97.34 79.82 34.46 0.00 0.00
333
+ ATOM 333 C PTH 1 97.34 79.82 35.46 0.00 0.00
334
+ ATOM 334 C PTH 1 97.34 80.82 33.46 0.00 0.00
335
+ ATOM 335 C PTH 1 97.34 80.82 34.46 0.00 0.00
336
+ ATOM 336 C PTH 1 97.34 80.82 35.46 0.00 0.00
337
+ ATOM 337 C PTH 1 98.34 68.82 28.46 0.00 0.00
338
+ ATOM 338 C PTH 1 98.34 68.82 29.46 0.00 0.00
339
+ ATOM 339 C PTH 1 98.34 69.82 26.46 0.00 0.00
340
+ ATOM 340 C PTH 1 98.34 69.82 27.46 0.00 0.00
341
+ ATOM 341 C PTH 1 98.34 69.82 28.46 0.00 0.00
342
+ ATOM 342 C PTH 1 98.34 69.82 29.46 0.00 0.00
343
+ ATOM 343 C PTH 1 98.34 69.82 30.46 0.00 0.00
344
+ ATOM 344 C PTH 1 98.34 70.82 26.46 0.00 0.00
345
+ ATOM 345 C PTH 1 98.34 70.82 27.46 0.00 0.00
346
+ ATOM 346 C PTH 1 98.34 70.82 28.46 0.00 0.00
347
+ ATOM 347 C PTH 1 98.34 70.82 29.46 0.00 0.00
348
+ ATOM 348 C PTH 1 98.34 70.82 30.46 0.00 0.00
349
+ ATOM 349 C PTH 1 98.34 71.82 26.46 0.00 0.00
350
+ ATOM 350 C PTH 1 98.34 71.82 27.46 0.00 0.00
351
+ ATOM 351 C PTH 1 98.34 71.82 28.46 0.00 0.00
352
+ ATOM 352 C PTH 1 98.34 71.82 29.46 0.00 0.00
353
+ ATOM 353 C PTH 1 98.34 71.82 30.46 0.00 0.00
354
+ ATOM 354 C PTH 1 98.34 71.82 31.46 0.00 0.00
355
+ ATOM 355 C PTH 1 98.34 72.82 26.46 0.00 0.00
356
+ ATOM 356 C PTH 1 98.34 72.82 27.46 0.00 0.00
357
+ ATOM 357 C PTH 1 98.34 72.82 28.46 0.00 0.00
358
+ ATOM 358 C PTH 1 98.34 72.82 29.46 0.00 0.00
359
+ ATOM 359 C PTH 1 98.34 72.82 30.46 0.00 0.00
360
+ ATOM 360 C PTH 1 98.34 72.82 31.46 0.00 0.00
361
+ ATOM 361 C PTH 1 98.34 72.82 32.46 0.00 0.00
362
+ ATOM 362 C PTH 1 98.34 72.82 33.46 0.00 0.00
363
+ ATOM 363 C PTH 1 98.34 72.82 34.46 0.00 0.00
364
+ ATOM 364 C PTH 1 98.34 72.82 35.46 0.00 0.00
365
+ ATOM 365 C PTH 1 98.34 73.82 27.46 0.00 0.00
366
+ ATOM 366 C PTH 1 98.34 73.82 28.46 0.00 0.00
367
+ ATOM 367 C PTH 1 98.34 73.82 29.46 0.00 0.00
368
+ ATOM 368 C PTH 1 98.34 73.82 30.46 0.00 0.00
369
+ ATOM 369 C PTH 1 98.34 73.82 31.46 0.00 0.00
370
+ ATOM 370 C PTH 1 98.34 73.82 32.46 0.00 0.00
371
+ ATOM 371 C PTH 1 98.34 73.82 33.46 0.00 0.00
372
+ ATOM 372 C PTH 1 98.34 73.82 34.46 0.00 0.00
373
+ ATOM 373 C PTH 1 98.34 73.82 35.46 0.00 0.00
374
+ ATOM 374 C PTH 1 98.34 74.82 28.46 0.00 0.00
375
+ ATOM 375 C PTH 1 98.34 74.82 29.46 0.00 0.00
376
+ ATOM 376 C PTH 1 98.34 74.82 30.46 0.00 0.00
377
+ ATOM 377 C PTH 1 98.34 74.82 31.46 0.00 0.00
378
+ ATOM 378 C PTH 1 98.34 74.82 32.46 0.00 0.00
379
+ ATOM 379 C PTH 1 98.34 74.82 33.46 0.00 0.00
380
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381
+ ATOM 381 C PTH 1 98.34 75.82 29.46 0.00 0.00
382
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383
+ ATOM 383 C PTH 1 98.34 75.82 31.46 0.00 0.00
384
+ ATOM 384 C PTH 1 98.34 75.82 32.46 0.00 0.00
385
+ ATOM 385 C PTH 1 98.34 75.82 33.46 0.00 0.00
386
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387
+ ATOM 387 C PTH 1 98.34 76.82 30.46 0.00 0.00
388
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389
+ ATOM 389 C PTH 1 98.34 76.82 32.46 0.00 0.00
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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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
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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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486
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487
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488
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489
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490
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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
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501
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502
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503
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504
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505
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506
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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
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513
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514
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515
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516
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517
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518
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519
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520
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521
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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
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528
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529
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530
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531
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532
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533
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534
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535
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536
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537
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538
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539
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540
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541
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542
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543
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544
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545
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546
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547
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548
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549
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550
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551
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552
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553
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554
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555
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556
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557
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558
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559
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560
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561
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562
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563
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564
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565
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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
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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
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598
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599
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600
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601
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602
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603
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604
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605
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606
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607
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608
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609
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610
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611
+ ATOM 611 C PTH 1 104.34 74.82 32.46 0.00 0.00
data/files/A0011/pocket_03.pdb ADDED
@@ -0,0 +1,546 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 61.34 67.82 30.46 0.00 0.00
2
+ ATOM 2 C PTH 1 61.34 68.82 29.46 0.00 0.00
3
+ ATOM 3 C PTH 1 61.34 68.82 30.46 0.00 0.00
4
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5
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6
+ ATOM 6 C PTH 1 61.34 69.82 31.46 0.00 0.00
7
+ ATOM 7 C PTH 1 61.34 70.82 29.46 0.00 0.00
8
+ ATOM 8 C PTH 1 61.34 70.82 30.46 0.00 0.00
9
+ ATOM 9 C PTH 1 61.34 71.82 28.46 0.00 0.00
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
+ ATOM 25 C PTH 1 62.34 72.82 29.46 0.00 0.00
26
+ ATOM 26 C PTH 1 63.34 68.82 28.46 0.00 0.00
27
+ ATOM 27 C PTH 1 63.34 68.82 29.46 0.00 0.00
28
+ ATOM 28 C PTH 1 63.34 68.82 30.46 0.00 0.00
29
+ ATOM 29 C PTH 1 63.34 69.82 26.46 0.00 0.00
30
+ ATOM 30 C PTH 1 63.34 69.82 27.46 0.00 0.00
31
+ ATOM 31 C PTH 1 63.34 69.82 28.46 0.00 0.00
32
+ ATOM 32 C PTH 1 63.34 69.82 29.46 0.00 0.00
33
+ ATOM 33 C PTH 1 63.34 69.82 30.46 0.00 0.00
34
+ ATOM 34 C PTH 1 63.34 70.82 26.46 0.00 0.00
35
+ ATOM 35 C PTH 1 63.34 70.82 27.46 0.00 0.00
36
+ ATOM 36 C PTH 1 63.34 70.82 28.46 0.00 0.00
37
+ ATOM 37 C PTH 1 63.34 70.82 29.46 0.00 0.00
38
+ ATOM 38 C PTH 1 63.34 70.82 30.46 0.00 0.00
39
+ ATOM 39 C PTH 1 63.34 71.82 26.46 0.00 0.00
40
+ ATOM 40 C PTH 1 63.34 71.82 27.46 0.00 0.00
41
+ ATOM 41 C PTH 1 63.34 71.82 28.46 0.00 0.00
42
+ ATOM 42 C PTH 1 63.34 71.82 29.46 0.00 0.00
43
+ ATOM 43 C PTH 1 63.34 71.82 30.46 0.00 0.00
44
+ ATOM 44 C PTH 1 63.34 72.82 28.46 0.00 0.00
45
+ ATOM 45 C PTH 1 63.34 72.82 29.46 0.00 0.00
46
+ ATOM 46 C PTH 1 63.34 72.82 30.46 0.00 0.00
47
+ ATOM 47 C PTH 1 63.34 76.82 20.46 0.00 0.00
48
+ ATOM 48 C PTH 1 63.34 76.82 21.46 0.00 0.00
49
+ ATOM 49 C PTH 1 63.34 77.82 20.46 0.00 0.00
50
+ ATOM 50 C PTH 1 63.34 77.82 21.46 0.00 0.00
51
+ ATOM 51 C PTH 1 63.34 77.82 22.46 0.00 0.00
52
+ ATOM 52 C PTH 1 64.34 68.82 28.46 0.00 0.00
53
+ ATOM 53 C PTH 1 64.34 68.82 29.46 0.00 0.00
54
+ ATOM 54 C PTH 1 64.34 68.82 30.46 0.00 0.00
55
+ ATOM 55 C PTH 1 64.34 69.82 26.46 0.00 0.00
56
+ ATOM 56 C PTH 1 64.34 69.82 27.46 0.00 0.00
57
+ ATOM 57 C PTH 1 64.34 69.82 28.46 0.00 0.00
58
+ ATOM 58 C PTH 1 64.34 69.82 29.46 0.00 0.00
59
+ ATOM 59 C PTH 1 64.34 69.82 30.46 0.00 0.00
60
+ ATOM 60 C PTH 1 64.34 70.82 24.46 0.00 0.00
61
+ ATOM 61 C PTH 1 64.34 70.82 25.46 0.00 0.00
62
+ ATOM 62 C PTH 1 64.34 70.82 26.46 0.00 0.00
63
+ ATOM 63 C PTH 1 64.34 70.82 27.46 0.00 0.00
64
+ ATOM 64 C PTH 1 64.34 70.82 28.46 0.00 0.00
65
+ ATOM 65 C PTH 1 64.34 70.82 29.46 0.00 0.00
66
+ ATOM 66 C PTH 1 64.34 70.82 30.46 0.00 0.00
67
+ ATOM 67 C PTH 1 64.34 70.82 31.46 0.00 0.00
68
+ ATOM 68 C PTH 1 64.34 71.82 24.46 0.00 0.00
69
+ ATOM 69 C PTH 1 64.34 71.82 25.46 0.00 0.00
70
+ ATOM 70 C PTH 1 64.34 71.82 26.46 0.00 0.00
71
+ ATOM 71 C PTH 1 64.34 71.82 27.46 0.00 0.00
72
+ ATOM 72 C PTH 1 64.34 71.82 28.46 0.00 0.00
73
+ ATOM 73 C PTH 1 64.34 71.82 29.46 0.00 0.00
74
+ ATOM 74 C PTH 1 64.34 71.82 30.46 0.00 0.00
75
+ ATOM 75 C PTH 1 64.34 72.82 24.46 0.00 0.00
76
+ ATOM 76 C PTH 1 64.34 72.82 25.46 0.00 0.00
77
+ ATOM 77 C PTH 1 64.34 72.82 26.46 0.00 0.00
78
+ ATOM 78 C PTH 1 64.34 72.82 27.46 0.00 0.00
79
+ ATOM 79 C PTH 1 64.34 72.82 28.46 0.00 0.00
80
+ ATOM 80 C PTH 1 64.34 72.82 29.46 0.00 0.00
81
+ ATOM 81 C PTH 1 64.34 72.82 30.46 0.00 0.00
82
+ ATOM 82 C PTH 1 64.34 73.82 24.46 0.00 0.00
83
+ ATOM 83 C PTH 1 64.34 73.82 26.46 0.00 0.00
84
+ ATOM 84 C PTH 1 64.34 73.82 27.46 0.00 0.00
85
+ ATOM 85 C PTH 1 64.34 73.82 28.46 0.00 0.00
86
+ ATOM 86 C PTH 1 64.34 73.82 29.46 0.00 0.00
87
+ ATOM 87 C PTH 1 64.34 73.82 30.46 0.00 0.00
88
+ ATOM 88 C PTH 1 64.34 75.82 19.46 0.00 0.00
89
+ ATOM 89 C PTH 1 64.34 75.82 20.46 0.00 0.00
90
+ ATOM 90 C PTH 1 64.34 75.82 21.46 0.00 0.00
91
+ ATOM 91 C PTH 1 64.34 75.82 22.46 0.00 0.00
92
+ ATOM 92 C PTH 1 64.34 75.82 23.46 0.00 0.00
93
+ ATOM 93 C PTH 1 64.34 76.82 17.46 0.00 0.00
94
+ ATOM 94 C PTH 1 64.34 76.82 18.46 0.00 0.00
95
+ ATOM 95 C PTH 1 64.34 76.82 19.46 0.00 0.00
96
+ ATOM 96 C PTH 1 64.34 76.82 20.46 0.00 0.00
97
+ ATOM 97 C PTH 1 64.34 76.82 21.46 0.00 0.00
98
+ ATOM 98 C PTH 1 64.34 76.82 22.46 0.00 0.00
99
+ ATOM 99 C PTH 1 64.34 76.82 23.46 0.00 0.00
100
+ ATOM 100 C PTH 1 64.34 77.82 16.46 0.00 0.00
101
+ ATOM 101 C PTH 1 64.34 77.82 17.46 0.00 0.00
102
+ ATOM 102 C PTH 1 64.34 77.82 18.46 0.00 0.00
103
+ ATOM 103 C PTH 1 64.34 77.82 19.46 0.00 0.00
104
+ ATOM 104 C PTH 1 64.34 77.82 20.46 0.00 0.00
105
+ ATOM 105 C PTH 1 64.34 77.82 21.46 0.00 0.00
106
+ ATOM 106 C PTH 1 64.34 77.82 22.46 0.00 0.00
107
+ ATOM 107 C PTH 1 64.34 77.82 23.46 0.00 0.00
108
+ ATOM 108 C PTH 1 64.34 78.82 21.46 0.00 0.00
109
+ ATOM 109 C PTH 1 64.34 78.82 22.46 0.00 0.00
110
+ ATOM 110 C PTH 1 64.34 78.82 23.46 0.00 0.00
111
+ ATOM 111 C PTH 1 65.34 68.82 28.46 0.00 0.00
112
+ ATOM 112 C PTH 1 65.34 68.82 29.46 0.00 0.00
113
+ ATOM 113 C PTH 1 65.34 68.82 30.46 0.00 0.00
114
+ ATOM 114 C PTH 1 65.34 69.82 26.46 0.00 0.00
115
+ ATOM 115 C PTH 1 65.34 69.82 27.46 0.00 0.00
116
+ ATOM 116 C PTH 1 65.34 69.82 28.46 0.00 0.00
117
+ ATOM 117 C PTH 1 65.34 69.82 29.46 0.00 0.00
118
+ ATOM 118 C PTH 1 65.34 69.82 30.46 0.00 0.00
119
+ ATOM 119 C PTH 1 65.34 70.82 24.46 0.00 0.00
120
+ ATOM 120 C PTH 1 65.34 70.82 25.46 0.00 0.00
121
+ ATOM 121 C PTH 1 65.34 70.82 26.46 0.00 0.00
122
+ ATOM 122 C PTH 1 65.34 70.82 27.46 0.00 0.00
123
+ ATOM 123 C PTH 1 65.34 70.82 28.46 0.00 0.00
124
+ ATOM 124 C PTH 1 65.34 70.82 29.46 0.00 0.00
125
+ ATOM 125 C PTH 1 65.34 70.82 30.46 0.00 0.00
126
+ ATOM 126 C PTH 1 65.34 71.82 24.46 0.00 0.00
127
+ ATOM 127 C PTH 1 65.34 71.82 25.46 0.00 0.00
128
+ ATOM 128 C PTH 1 65.34 71.82 26.46 0.00 0.00
129
+ ATOM 129 C PTH 1 65.34 71.82 27.46 0.00 0.00
130
+ ATOM 130 C PTH 1 65.34 71.82 28.46 0.00 0.00
131
+ ATOM 131 C PTH 1 65.34 71.82 29.46 0.00 0.00
132
+ ATOM 132 C PTH 1 65.34 71.82 30.46 0.00 0.00
133
+ ATOM 133 C PTH 1 65.34 72.82 24.46 0.00 0.00
134
+ ATOM 134 C PTH 1 65.34 72.82 25.46 0.00 0.00
135
+ ATOM 135 C PTH 1 65.34 72.82 26.46 0.00 0.00
136
+ ATOM 136 C PTH 1 65.34 72.82 27.46 0.00 0.00
137
+ ATOM 137 C PTH 1 65.34 72.82 28.46 0.00 0.00
138
+ ATOM 138 C PTH 1 65.34 72.82 29.46 0.00 0.00
139
+ ATOM 139 C PTH 1 65.34 72.82 30.46 0.00 0.00
140
+ ATOM 140 C PTH 1 65.34 73.82 23.46 0.00 0.00
141
+ ATOM 141 C PTH 1 65.34 73.82 24.46 0.00 0.00
142
+ ATOM 142 C PTH 1 65.34 73.82 25.46 0.00 0.00
143
+ ATOM 143 C PTH 1 65.34 73.82 26.46 0.00 0.00
144
+ ATOM 144 C PTH 1 65.34 73.82 27.46 0.00 0.00
145
+ ATOM 145 C PTH 1 65.34 73.82 28.46 0.00 0.00
146
+ ATOM 146 C PTH 1 65.34 73.82 29.46 0.00 0.00
147
+ ATOM 147 C PTH 1 65.34 74.82 21.46 0.00 0.00
148
+ ATOM 148 C PTH 1 65.34 74.82 22.46 0.00 0.00
149
+ ATOM 149 C PTH 1 65.34 74.82 23.46 0.00 0.00
150
+ ATOM 150 C PTH 1 65.34 74.82 24.46 0.00 0.00
151
+ ATOM 151 C PTH 1 65.34 74.82 25.46 0.00 0.00
152
+ ATOM 152 C PTH 1 65.34 74.82 26.46 0.00 0.00
153
+ ATOM 153 C PTH 1 65.34 74.82 27.46 0.00 0.00
154
+ ATOM 154 C PTH 1 65.34 75.82 17.46 0.00 0.00
155
+ ATOM 155 C PTH 1 65.34 75.82 18.46 0.00 0.00
156
+ ATOM 156 C PTH 1 65.34 75.82 19.46 0.00 0.00
157
+ ATOM 157 C PTH 1 65.34 75.82 20.46 0.00 0.00
158
+ ATOM 158 C PTH 1 65.34 75.82 21.46 0.00 0.00
159
+ ATOM 159 C PTH 1 65.34 75.82 22.46 0.00 0.00
160
+ ATOM 160 C PTH 1 65.34 75.82 23.46 0.00 0.00
161
+ ATOM 161 C PTH 1 65.34 75.82 24.46 0.00 0.00
162
+ ATOM 162 C PTH 1 65.34 76.82 17.46 0.00 0.00
163
+ ATOM 163 C PTH 1 65.34 76.82 18.46 0.00 0.00
164
+ ATOM 164 C PTH 1 65.34 76.82 19.46 0.00 0.00
165
+ ATOM 165 C PTH 1 65.34 76.82 20.46 0.00 0.00
166
+ ATOM 166 C PTH 1 65.34 76.82 21.46 0.00 0.00
167
+ ATOM 167 C PTH 1 65.34 76.82 22.46 0.00 0.00
168
+ ATOM 168 C PTH 1 65.34 76.82 23.46 0.00 0.00
169
+ ATOM 169 C PTH 1 65.34 76.82 24.46 0.00 0.00
170
+ ATOM 170 C PTH 1 65.34 77.82 16.46 0.00 0.00
171
+ ATOM 171 C PTH 1 65.34 77.82 17.46 0.00 0.00
172
+ ATOM 172 C PTH 1 65.34 77.82 18.46 0.00 0.00
173
+ ATOM 173 C PTH 1 65.34 77.82 19.46 0.00 0.00
174
+ ATOM 174 C PTH 1 65.34 77.82 20.46 0.00 0.00
175
+ ATOM 175 C PTH 1 65.34 77.82 21.46 0.00 0.00
176
+ ATOM 176 C PTH 1 65.34 77.82 22.46 0.00 0.00
177
+ ATOM 177 C PTH 1 65.34 77.82 23.46 0.00 0.00
178
+ ATOM 178 C PTH 1 65.34 77.82 24.46 0.00 0.00
179
+ ATOM 179 C PTH 1 65.34 78.82 17.46 0.00 0.00
180
+ ATOM 180 C PTH 1 65.34 78.82 18.46 0.00 0.00
181
+ ATOM 181 C PTH 1 65.34 78.82 19.46 0.00 0.00
182
+ ATOM 182 C PTH 1 65.34 78.82 20.46 0.00 0.00
183
+ ATOM 183 C PTH 1 65.34 78.82 21.46 0.00 0.00
184
+ ATOM 184 C PTH 1 65.34 78.82 22.46 0.00 0.00
185
+ ATOM 185 C PTH 1 65.34 78.82 23.46 0.00 0.00
186
+ ATOM 186 C PTH 1 65.34 78.82 24.46 0.00 0.00
187
+ ATOM 187 C PTH 1 65.34 79.82 21.46 0.00 0.00
188
+ ATOM 188 C PTH 1 65.34 79.82 22.46 0.00 0.00
189
+ ATOM 189 C PTH 1 65.34 79.82 23.46 0.00 0.00
190
+ ATOM 190 C PTH 1 66.34 68.82 29.46 0.00 0.00
191
+ ATOM 191 C PTH 1 66.34 69.82 26.46 0.00 0.00
192
+ ATOM 192 C PTH 1 66.34 69.82 27.46 0.00 0.00
193
+ ATOM 193 C PTH 1 66.34 69.82 28.46 0.00 0.00
194
+ ATOM 194 C PTH 1 66.34 70.82 25.46 0.00 0.00
195
+ ATOM 195 C PTH 1 66.34 70.82 26.46 0.00 0.00
196
+ ATOM 196 C PTH 1 66.34 70.82 27.46 0.00 0.00
197
+ ATOM 197 C PTH 1 66.34 70.82 28.46 0.00 0.00
198
+ ATOM 198 C PTH 1 66.34 70.82 29.46 0.00 0.00
199
+ ATOM 199 C PTH 1 66.34 70.82 30.46 0.00 0.00
200
+ ATOM 200 C PTH 1 66.34 71.82 24.46 0.00 0.00
201
+ ATOM 201 C PTH 1 66.34 71.82 25.46 0.00 0.00
202
+ ATOM 202 C PTH 1 66.34 71.82 26.46 0.00 0.00
203
+ ATOM 203 C PTH 1 66.34 71.82 27.46 0.00 0.00
204
+ ATOM 204 C PTH 1 66.34 71.82 28.46 0.00 0.00
205
+ ATOM 205 C PTH 1 66.34 71.82 29.46 0.00 0.00
206
+ ATOM 206 C PTH 1 66.34 71.82 30.46 0.00 0.00
207
+ ATOM 207 C PTH 1 66.34 72.82 23.46 0.00 0.00
208
+ ATOM 208 C PTH 1 66.34 72.82 24.46 0.00 0.00
209
+ ATOM 209 C PTH 1 66.34 72.82 25.46 0.00 0.00
210
+ ATOM 210 C PTH 1 66.34 72.82 26.46 0.00 0.00
211
+ ATOM 211 C PTH 1 66.34 72.82 27.46 0.00 0.00
212
+ ATOM 212 C PTH 1 66.34 72.82 28.46 0.00 0.00
213
+ ATOM 213 C PTH 1 66.34 72.82 29.46 0.00 0.00
214
+ ATOM 214 C PTH 1 66.34 73.82 22.46 0.00 0.00
215
+ ATOM 215 C PTH 1 66.34 73.82 23.46 0.00 0.00
216
+ ATOM 216 C PTH 1 66.34 73.82 24.46 0.00 0.00
217
+ ATOM 217 C PTH 1 66.34 73.82 25.46 0.00 0.00
218
+ ATOM 218 C PTH 1 66.34 73.82 26.46 0.00 0.00
219
+ ATOM 219 C PTH 1 66.34 73.82 27.46 0.00 0.00
220
+ ATOM 220 C PTH 1 66.34 73.82 28.46 0.00 0.00
221
+ ATOM 221 C PTH 1 66.34 74.82 20.46 0.00 0.00
222
+ ATOM 222 C PTH 1 66.34 74.82 21.46 0.00 0.00
223
+ ATOM 223 C PTH 1 66.34 74.82 22.46 0.00 0.00
224
+ ATOM 224 C PTH 1 66.34 74.82 23.46 0.00 0.00
225
+ ATOM 225 C PTH 1 66.34 74.82 24.46 0.00 0.00
226
+ ATOM 226 C PTH 1 66.34 74.82 25.46 0.00 0.00
227
+ ATOM 227 C PTH 1 66.34 74.82 26.46 0.00 0.00
228
+ ATOM 228 C PTH 1 66.34 74.82 27.46 0.00 0.00
229
+ ATOM 229 C PTH 1 66.34 75.82 17.46 0.00 0.00
230
+ ATOM 230 C PTH 1 66.34 75.82 18.46 0.00 0.00
231
+ ATOM 231 C PTH 1 66.34 75.82 19.46 0.00 0.00
232
+ ATOM 232 C PTH 1 66.34 75.82 20.46 0.00 0.00
233
+ ATOM 233 C PTH 1 66.34 75.82 21.46 0.00 0.00
234
+ ATOM 234 C PTH 1 66.34 75.82 22.46 0.00 0.00
235
+ ATOM 235 C PTH 1 66.34 75.82 23.46 0.00 0.00
236
+ ATOM 236 C PTH 1 66.34 75.82 24.46 0.00 0.00
237
+ ATOM 237 C PTH 1 66.34 75.82 25.46 0.00 0.00
238
+ ATOM 238 C PTH 1 66.34 76.82 16.46 0.00 0.00
239
+ ATOM 239 C PTH 1 66.34 76.82 17.46 0.00 0.00
240
+ ATOM 240 C PTH 1 66.34 76.82 18.46 0.00 0.00
241
+ ATOM 241 C PTH 1 66.34 76.82 19.46 0.00 0.00
242
+ ATOM 242 C PTH 1 66.34 76.82 20.46 0.00 0.00
243
+ ATOM 243 C PTH 1 66.34 76.82 21.46 0.00 0.00
244
+ ATOM 244 C PTH 1 66.34 76.82 22.46 0.00 0.00
245
+ ATOM 245 C PTH 1 66.34 76.82 23.46 0.00 0.00
246
+ ATOM 246 C PTH 1 66.34 76.82 24.46 0.00 0.00
247
+ ATOM 247 C PTH 1 66.34 76.82 25.46 0.00 0.00
248
+ ATOM 248 C PTH 1 66.34 77.82 16.46 0.00 0.00
249
+ ATOM 249 C PTH 1 66.34 77.82 17.46 0.00 0.00
250
+ ATOM 250 C PTH 1 66.34 77.82 18.46 0.00 0.00
251
+ ATOM 251 C PTH 1 66.34 77.82 19.46 0.00 0.00
252
+ ATOM 252 C PTH 1 66.34 77.82 20.46 0.00 0.00
253
+ ATOM 253 C PTH 1 66.34 77.82 21.46 0.00 0.00
254
+ ATOM 254 C PTH 1 66.34 77.82 22.46 0.00 0.00
255
+ ATOM 255 C PTH 1 66.34 77.82 23.46 0.00 0.00
256
+ ATOM 256 C PTH 1 66.34 77.82 24.46 0.00 0.00
257
+ ATOM 257 C PTH 1 66.34 77.82 25.46 0.00 0.00
258
+ ATOM 258 C PTH 1 66.34 78.82 16.46 0.00 0.00
259
+ ATOM 259 C PTH 1 66.34 78.82 17.46 0.00 0.00
260
+ ATOM 260 C PTH 1 66.34 78.82 18.46 0.00 0.00
261
+ ATOM 261 C PTH 1 66.34 78.82 19.46 0.00 0.00
262
+ ATOM 262 C PTH 1 66.34 78.82 20.46 0.00 0.00
263
+ ATOM 263 C PTH 1 66.34 78.82 21.46 0.00 0.00
264
+ ATOM 264 C PTH 1 66.34 78.82 22.46 0.00 0.00
265
+ ATOM 265 C PTH 1 66.34 78.82 23.46 0.00 0.00
266
+ ATOM 266 C PTH 1 66.34 78.82 24.46 0.00 0.00
267
+ ATOM 267 C PTH 1 66.34 79.82 19.46 0.00 0.00
268
+ ATOM 268 C PTH 1 66.34 79.82 20.46 0.00 0.00
269
+ ATOM 269 C PTH 1 66.34 79.82 21.46 0.00 0.00
270
+ ATOM 270 C PTH 1 66.34 79.82 22.46 0.00 0.00
271
+ ATOM 271 C PTH 1 66.34 79.82 23.46 0.00 0.00
272
+ ATOM 272 C PTH 1 66.34 79.82 24.46 0.00 0.00
273
+ ATOM 273 C PTH 1 67.34 70.82 25.46 0.00 0.00
274
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275
+ ATOM 275 C PTH 1 67.34 70.82 27.46 0.00 0.00
276
+ ATOM 276 C PTH 1 67.34 70.82 28.46 0.00 0.00
277
+ ATOM 277 C PTH 1 67.34 71.82 23.46 0.00 0.00
278
+ ATOM 278 C PTH 1 67.34 71.82 24.46 0.00 0.00
279
+ ATOM 279 C PTH 1 67.34 71.82 25.46 0.00 0.00
280
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281
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282
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283
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284
+ ATOM 284 C PTH 1 67.34 72.82 22.46 0.00 0.00
285
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286
+ ATOM 286 C PTH 1 67.34 72.82 24.46 0.00 0.00
287
+ ATOM 287 C PTH 1 67.34 72.82 25.46 0.00 0.00
288
+ ATOM 288 C PTH 1 67.34 72.82 26.46 0.00 0.00
289
+ ATOM 289 C PTH 1 67.34 72.82 27.46 0.00 0.00
290
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291
+ ATOM 291 C PTH 1 67.34 72.82 29.46 0.00 0.00
292
+ ATOM 292 C PTH 1 67.34 73.82 21.46 0.00 0.00
293
+ ATOM 293 C PTH 1 67.34 73.82 22.46 0.00 0.00
294
+ ATOM 294 C PTH 1 67.34 73.82 23.46 0.00 0.00
295
+ ATOM 295 C PTH 1 67.34 73.82 24.46 0.00 0.00
296
+ ATOM 296 C PTH 1 67.34 73.82 25.46 0.00 0.00
297
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298
+ ATOM 298 C PTH 1 67.34 73.82 27.46 0.00 0.00
299
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300
+ ATOM 300 C PTH 1 67.34 74.82 19.46 0.00 0.00
301
+ ATOM 301 C PTH 1 67.34 74.82 20.46 0.00 0.00
302
+ ATOM 302 C PTH 1 67.34 74.82 21.46 0.00 0.00
303
+ ATOM 303 C PTH 1 67.34 74.82 22.46 0.00 0.00
304
+ ATOM 304 C PTH 1 67.34 74.82 23.46 0.00 0.00
305
+ ATOM 305 C PTH 1 67.34 74.82 24.46 0.00 0.00
306
+ ATOM 306 C PTH 1 67.34 74.82 25.46 0.00 0.00
307
+ ATOM 307 C PTH 1 67.34 74.82 26.46 0.00 0.00
308
+ ATOM 308 C PTH 1 67.34 74.82 27.46 0.00 0.00
309
+ ATOM 309 C PTH 1 67.34 75.82 16.46 0.00 0.00
310
+ ATOM 310 C PTH 1 67.34 75.82 17.46 0.00 0.00
311
+ ATOM 311 C PTH 1 67.34 75.82 18.46 0.00 0.00
312
+ ATOM 312 C PTH 1 67.34 75.82 19.46 0.00 0.00
313
+ ATOM 313 C PTH 1 67.34 75.82 20.46 0.00 0.00
314
+ ATOM 314 C PTH 1 67.34 75.82 21.46 0.00 0.00
315
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316
+ ATOM 316 C PTH 1 67.34 75.82 23.46 0.00 0.00
317
+ ATOM 317 C PTH 1 67.34 75.82 24.46 0.00 0.00
318
+ ATOM 318 C PTH 1 67.34 75.82 25.46 0.00 0.00
319
+ ATOM 319 C PTH 1 67.34 75.82 26.46 0.00 0.00
320
+ ATOM 320 C PTH 1 67.34 76.82 16.46 0.00 0.00
321
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322
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323
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324
+ ATOM 324 C PTH 1 67.34 76.82 20.46 0.00 0.00
325
+ ATOM 325 C PTH 1 67.34 76.82 21.46 0.00 0.00
326
+ ATOM 326 C PTH 1 67.34 76.82 22.46 0.00 0.00
327
+ ATOM 327 C PTH 1 67.34 76.82 23.46 0.00 0.00
328
+ ATOM 328 C PTH 1 67.34 76.82 24.46 0.00 0.00
329
+ ATOM 329 C PTH 1 67.34 76.82 25.46 0.00 0.00
330
+ ATOM 330 C PTH 1 67.34 77.82 16.46 0.00 0.00
331
+ ATOM 331 C PTH 1 67.34 77.82 17.46 0.00 0.00
332
+ ATOM 332 C PTH 1 67.34 77.82 18.46 0.00 0.00
333
+ ATOM 333 C PTH 1 67.34 77.82 19.46 0.00 0.00
334
+ ATOM 334 C PTH 1 67.34 77.82 20.46 0.00 0.00
335
+ ATOM 335 C PTH 1 67.34 77.82 21.46 0.00 0.00
336
+ ATOM 336 C PTH 1 67.34 77.82 22.46 0.00 0.00
337
+ ATOM 337 C PTH 1 67.34 77.82 23.46 0.00 0.00
338
+ ATOM 338 C PTH 1 67.34 77.82 24.46 0.00 0.00
339
+ ATOM 339 C PTH 1 67.34 77.82 25.46 0.00 0.00
340
+ ATOM 340 C PTH 1 67.34 78.82 16.46 0.00 0.00
341
+ ATOM 341 C PTH 1 67.34 78.82 17.46 0.00 0.00
342
+ ATOM 342 C PTH 1 67.34 78.82 18.46 0.00 0.00
343
+ ATOM 343 C PTH 1 67.34 78.82 19.46 0.00 0.00
344
+ ATOM 344 C PTH 1 67.34 78.82 20.46 0.00 0.00
345
+ ATOM 345 C PTH 1 67.34 78.82 21.46 0.00 0.00
346
+ ATOM 346 C PTH 1 67.34 78.82 22.46 0.00 0.00
347
+ ATOM 347 C PTH 1 67.34 78.82 23.46 0.00 0.00
348
+ ATOM 348 C PTH 1 67.34 78.82 24.46 0.00 0.00
349
+ ATOM 349 C PTH 1 67.34 78.82 25.46 0.00 0.00
350
+ ATOM 350 C PTH 1 67.34 79.82 19.46 0.00 0.00
351
+ ATOM 351 C PTH 1 67.34 79.82 20.46 0.00 0.00
352
+ ATOM 352 C PTH 1 67.34 79.82 21.46 0.00 0.00
353
+ ATOM 353 C PTH 1 67.34 79.82 22.46 0.00 0.00
354
+ ATOM 354 C PTH 1 67.34 79.82 23.46 0.00 0.00
355
+ ATOM 355 C PTH 1 67.34 79.82 24.46 0.00 0.00
356
+ ATOM 356 C PTH 1 68.34 69.82 24.46 0.00 0.00
357
+ ATOM 357 C PTH 1 68.34 70.82 23.46 0.00 0.00
358
+ ATOM 358 C PTH 1 68.34 70.82 24.46 0.00 0.00
359
+ ATOM 359 C PTH 1 68.34 70.82 25.46 0.00 0.00
360
+ ATOM 360 C PTH 1 68.34 71.82 23.46 0.00 0.00
361
+ ATOM 361 C PTH 1 68.34 71.82 24.46 0.00 0.00
362
+ ATOM 362 C PTH 1 68.34 71.82 25.46 0.00 0.00
363
+ ATOM 363 C PTH 1 68.34 71.82 26.46 0.00 0.00
364
+ ATOM 364 C PTH 1 68.34 71.82 27.46 0.00 0.00
365
+ ATOM 365 C PTH 1 68.34 72.82 22.46 0.00 0.00
366
+ ATOM 366 C PTH 1 68.34 72.82 23.46 0.00 0.00
367
+ ATOM 367 C PTH 1 68.34 72.82 24.46 0.00 0.00
368
+ ATOM 368 C PTH 1 68.34 72.82 25.46 0.00 0.00
369
+ ATOM 369 C PTH 1 68.34 72.82 26.46 0.00 0.00
370
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371
+ ATOM 371 C PTH 1 68.34 72.82 28.46 0.00 0.00
372
+ ATOM 372 C PTH 1 68.34 73.82 21.46 0.00 0.00
373
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374
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375
+ ATOM 375 C PTH 1 68.34 73.82 24.46 0.00 0.00
376
+ ATOM 376 C PTH 1 68.34 73.82 25.46 0.00 0.00
377
+ ATOM 377 C PTH 1 68.34 73.82 26.46 0.00 0.00
378
+ ATOM 378 C PTH 1 68.34 73.82 27.46 0.00 0.00
379
+ ATOM 379 C PTH 1 68.34 74.82 18.46 0.00 0.00
380
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381
+ ATOM 381 C PTH 1 68.34 74.82 20.46 0.00 0.00
382
+ ATOM 382 C PTH 1 68.34 74.82 21.46 0.00 0.00
383
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384
+ ATOM 384 C PTH 1 68.34 74.82 23.46 0.00 0.00
385
+ ATOM 385 C PTH 1 68.34 74.82 24.46 0.00 0.00
386
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387
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388
+ ATOM 388 C PTH 1 68.34 75.82 16.46 0.00 0.00
389
+ ATOM 389 C PTH 1 68.34 75.82 17.46 0.00 0.00
390
+ ATOM 390 C PTH 1 68.34 75.82 18.46 0.00 0.00
391
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392
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393
+ ATOM 393 C PTH 1 68.34 75.82 21.46 0.00 0.00
394
+ ATOM 394 C PTH 1 68.34 75.82 22.46 0.00 0.00
395
+ ATOM 395 C PTH 1 68.34 75.82 23.46 0.00 0.00
396
+ ATOM 396 C PTH 1 68.34 75.82 24.46 0.00 0.00
397
+ ATOM 397 C PTH 1 68.34 75.82 25.46 0.00 0.00
398
+ ATOM 398 C PTH 1 68.34 75.82 26.46 0.00 0.00
399
+ ATOM 399 C PTH 1 68.34 76.82 16.46 0.00 0.00
400
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401
+ ATOM 401 C PTH 1 68.34 76.82 18.46 0.00 0.00
402
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403
+ ATOM 403 C PTH 1 68.34 76.82 20.46 0.00 0.00
404
+ ATOM 404 C PTH 1 68.34 76.82 21.46 0.00 0.00
405
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406
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407
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408
+ ATOM 408 C PTH 1 68.34 76.82 25.46 0.00 0.00
409
+ ATOM 409 C PTH 1 68.34 77.82 16.46 0.00 0.00
410
+ ATOM 410 C PTH 1 68.34 77.82 17.46 0.00 0.00
411
+ ATOM 411 C PTH 1 68.34 77.82 18.46 0.00 0.00
412
+ ATOM 412 C PTH 1 68.34 77.82 19.46 0.00 0.00
413
+ ATOM 413 C PTH 1 68.34 77.82 20.46 0.00 0.00
414
+ ATOM 414 C PTH 1 68.34 77.82 21.46 0.00 0.00
415
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416
+ ATOM 416 C PTH 1 68.34 77.82 23.46 0.00 0.00
417
+ ATOM 417 C PTH 1 68.34 77.82 24.46 0.00 0.00
418
+ ATOM 418 C PTH 1 68.34 77.82 25.46 0.00 0.00
419
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420
+ ATOM 420 C PTH 1 68.34 78.82 18.46 0.00 0.00
421
+ ATOM 421 C PTH 1 68.34 78.82 19.46 0.00 0.00
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
+ ATOM 429 C PTH 1 69.34 70.82 23.46 0.00 0.00
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
+ ATOM 456 C PTH 1 69.34 75.82 17.46 0.00 0.00
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
+ ATOM 475 C PTH 1 69.34 76.82 25.46 0.00 0.00
476
+ ATOM 476 C PTH 1 69.34 77.82 17.46 0.00 0.00
477
+ ATOM 477 C PTH 1 69.34 77.82 18.46 0.00 0.00
478
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479
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480
+ ATOM 480 C PTH 1 69.34 77.82 21.46 0.00 0.00
481
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482
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483
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484
+ ATOM 484 C PTH 1 69.34 78.82 18.46 0.00 0.00
485
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486
+ ATOM 486 C PTH 1 69.34 78.82 20.46 0.00 0.00
487
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488
+ ATOM 488 C PTH 1 69.34 78.82 22.46 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
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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
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501
+ ATOM 501 C PTH 1 70.34 71.82 26.46 0.00 0.00
502
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503
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504
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505
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506
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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
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513
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514
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515
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516
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517
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518
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519
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520
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521
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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
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528
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529
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530
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531
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532
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533
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534
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535
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536
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537
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538
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539
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540
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541
+ ATOM 541 C PTH 1 72.34 71.82 23.46 0.00 0.00
542
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543
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544
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545
+ ATOM 545 C PTH 1 72.34 72.82 25.46 0.00 0.00
546
+ ATOM 546 C PTH 1 72.34 72.82 26.46 0.00 0.00
data/files/A0011/pocket_04.pdb ADDED
@@ -0,0 +1,375 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 79.34 87.82 30.46 0.00 0.00
2
+ ATOM 2 C PTH 1 79.34 88.82 28.46 0.00 0.00
3
+ ATOM 3 C PTH 1 79.34 88.82 29.46 0.00 0.00
4
+ ATOM 4 C PTH 1 79.34 88.82 30.46 0.00 0.00
5
+ ATOM 5 C PTH 1 79.34 88.82 31.46 0.00 0.00
6
+ ATOM 6 C PTH 1 79.34 89.82 28.46 0.00 0.00
7
+ ATOM 7 C PTH 1 79.34 89.82 29.46 0.00 0.00
8
+ ATOM 8 C PTH 1 79.34 89.82 30.46 0.00 0.00
9
+ ATOM 9 C PTH 1 79.34 89.82 31.46 0.00 0.00
10
+ ATOM 10 C PTH 1 79.34 90.82 29.46 0.00 0.00
11
+ ATOM 11 C PTH 1 79.34 90.82 30.46 0.00 0.00
12
+ ATOM 12 C PTH 1 79.34 90.82 31.46 0.00 0.00
13
+ ATOM 13 C PTH 1 80.34 86.82 28.46 0.00 0.00
14
+ ATOM 14 C PTH 1 80.34 87.82 27.46 0.00 0.00
15
+ ATOM 15 C PTH 1 80.34 87.82 28.46 0.00 0.00
16
+ ATOM 16 C PTH 1 80.34 87.82 29.46 0.00 0.00
17
+ ATOM 17 C PTH 1 80.34 87.82 30.46 0.00 0.00
18
+ ATOM 18 C PTH 1 80.34 87.82 31.46 0.00 0.00
19
+ ATOM 19 C PTH 1 80.34 88.82 27.46 0.00 0.00
20
+ ATOM 20 C PTH 1 80.34 88.82 28.46 0.00 0.00
21
+ ATOM 21 C PTH 1 80.34 88.82 29.46 0.00 0.00
22
+ ATOM 22 C PTH 1 80.34 88.82 30.46 0.00 0.00
23
+ ATOM 23 C PTH 1 80.34 88.82 31.46 0.00 0.00
24
+ ATOM 24 C PTH 1 80.34 89.82 27.46 0.00 0.00
25
+ ATOM 25 C PTH 1 80.34 89.82 28.46 0.00 0.00
26
+ ATOM 26 C PTH 1 80.34 89.82 29.46 0.00 0.00
27
+ ATOM 27 C PTH 1 80.34 89.82 30.46 0.00 0.00
28
+ ATOM 28 C PTH 1 80.34 89.82 31.46 0.00 0.00
29
+ ATOM 29 C PTH 1 80.34 90.82 28.46 0.00 0.00
30
+ ATOM 30 C PTH 1 80.34 90.82 29.46 0.00 0.00
31
+ ATOM 31 C PTH 1 80.34 90.82 30.46 0.00 0.00
32
+ ATOM 32 C PTH 1 80.34 90.82 31.46 0.00 0.00
33
+ ATOM 33 C PTH 1 81.34 86.82 26.46 0.00 0.00
34
+ ATOM 34 C PTH 1 81.34 86.82 27.46 0.00 0.00
35
+ ATOM 35 C PTH 1 81.34 86.82 28.46 0.00 0.00
36
+ ATOM 36 C PTH 1 81.34 86.82 29.46 0.00 0.00
37
+ ATOM 37 C PTH 1 81.34 87.82 25.46 0.00 0.00
38
+ ATOM 38 C PTH 1 81.34 87.82 26.46 0.00 0.00
39
+ ATOM 39 C PTH 1 81.34 87.82 27.46 0.00 0.00
40
+ ATOM 40 C PTH 1 81.34 87.82 28.46 0.00 0.00
41
+ ATOM 41 C PTH 1 81.34 87.82 29.46 0.00 0.00
42
+ ATOM 42 C PTH 1 81.34 87.82 30.46 0.00 0.00
43
+ ATOM 43 C PTH 1 81.34 87.82 31.46 0.00 0.00
44
+ ATOM 44 C PTH 1 81.34 88.82 26.46 0.00 0.00
45
+ ATOM 45 C PTH 1 81.34 88.82 27.46 0.00 0.00
46
+ ATOM 46 C PTH 1 81.34 88.82 28.46 0.00 0.00
47
+ ATOM 47 C PTH 1 81.34 88.82 29.46 0.00 0.00
48
+ ATOM 48 C PTH 1 81.34 88.82 30.46 0.00 0.00
49
+ ATOM 49 C PTH 1 81.34 88.82 31.46 0.00 0.00
50
+ ATOM 50 C PTH 1 81.34 89.82 27.46 0.00 0.00
51
+ ATOM 51 C PTH 1 81.34 89.82 28.46 0.00 0.00
52
+ ATOM 52 C PTH 1 81.34 89.82 29.46 0.00 0.00
53
+ ATOM 53 C PTH 1 81.34 89.82 30.46 0.00 0.00
54
+ ATOM 54 C PTH 1 81.34 89.82 31.46 0.00 0.00
55
+ ATOM 55 C PTH 1 81.34 90.82 27.46 0.00 0.00
56
+ ATOM 56 C PTH 1 81.34 90.82 28.46 0.00 0.00
57
+ ATOM 57 C PTH 1 81.34 90.82 29.46 0.00 0.00
58
+ ATOM 58 C PTH 1 81.34 90.82 30.46 0.00 0.00
59
+ ATOM 59 C PTH 1 81.34 90.82 31.46 0.00 0.00
60
+ ATOM 60 C PTH 1 81.34 91.82 29.46 0.00 0.00
61
+ ATOM 61 C PTH 1 82.34 85.82 26.46 0.00 0.00
62
+ ATOM 62 C PTH 1 82.34 85.82 27.46 0.00 0.00
63
+ ATOM 63 C PTH 1 82.34 86.82 25.46 0.00 0.00
64
+ ATOM 64 C PTH 1 82.34 86.82 26.46 0.00 0.00
65
+ ATOM 65 C PTH 1 82.34 86.82 27.46 0.00 0.00
66
+ ATOM 66 C PTH 1 82.34 86.82 28.46 0.00 0.00
67
+ ATOM 67 C PTH 1 82.34 86.82 29.46 0.00 0.00
68
+ ATOM 68 C PTH 1 82.34 87.82 24.46 0.00 0.00
69
+ ATOM 69 C PTH 1 82.34 87.82 25.46 0.00 0.00
70
+ ATOM 70 C PTH 1 82.34 87.82 26.46 0.00 0.00
71
+ ATOM 71 C PTH 1 82.34 87.82 27.46 0.00 0.00
72
+ ATOM 72 C PTH 1 82.34 87.82 28.46 0.00 0.00
73
+ ATOM 73 C PTH 1 82.34 87.82 29.46 0.00 0.00
74
+ ATOM 74 C PTH 1 82.34 87.82 30.46 0.00 0.00
75
+ ATOM 75 C PTH 1 82.34 87.82 31.46 0.00 0.00
76
+ ATOM 76 C PTH 1 82.34 88.82 25.46 0.00 0.00
77
+ ATOM 77 C PTH 1 82.34 88.82 26.46 0.00 0.00
78
+ ATOM 78 C PTH 1 82.34 88.82 27.46 0.00 0.00
79
+ ATOM 79 C PTH 1 82.34 88.82 28.46 0.00 0.00
80
+ ATOM 80 C PTH 1 82.34 88.82 29.46 0.00 0.00
81
+ ATOM 81 C PTH 1 82.34 88.82 30.46 0.00 0.00
82
+ ATOM 82 C PTH 1 82.34 88.82 31.46 0.00 0.00
83
+ ATOM 83 C PTH 1 82.34 89.82 25.46 0.00 0.00
84
+ ATOM 84 C PTH 1 82.34 89.82 26.46 0.00 0.00
85
+ ATOM 85 C PTH 1 82.34 89.82 27.46 0.00 0.00
86
+ ATOM 86 C PTH 1 82.34 89.82 28.46 0.00 0.00
87
+ ATOM 87 C PTH 1 82.34 89.82 29.46 0.00 0.00
88
+ ATOM 88 C PTH 1 82.34 89.82 30.46 0.00 0.00
89
+ ATOM 89 C PTH 1 82.34 89.82 31.46 0.00 0.00
90
+ ATOM 90 C PTH 1 82.34 90.82 27.46 0.00 0.00
91
+ ATOM 91 C PTH 1 82.34 90.82 28.46 0.00 0.00
92
+ ATOM 92 C PTH 1 82.34 90.82 29.46 0.00 0.00
93
+ ATOM 93 C PTH 1 82.34 90.82 30.46 0.00 0.00
94
+ ATOM 94 C PTH 1 82.34 90.82 31.46 0.00 0.00
95
+ ATOM 95 C PTH 1 82.34 91.82 29.46 0.00 0.00
96
+ ATOM 96 C PTH 1 82.34 91.82 30.46 0.00 0.00
97
+ ATOM 97 C PTH 1 83.34 85.82 25.46 0.00 0.00
98
+ ATOM 98 C PTH 1 83.34 85.82 26.46 0.00 0.00
99
+ ATOM 99 C PTH 1 83.34 85.82 27.46 0.00 0.00
100
+ ATOM 100 C PTH 1 83.34 86.82 24.46 0.00 0.00
101
+ ATOM 101 C PTH 1 83.34 86.82 25.46 0.00 0.00
102
+ ATOM 102 C PTH 1 83.34 86.82 26.46 0.00 0.00
103
+ ATOM 103 C PTH 1 83.34 86.82 27.46 0.00 0.00
104
+ ATOM 104 C PTH 1 83.34 86.82 28.46 0.00 0.00
105
+ ATOM 105 C PTH 1 83.34 86.82 29.46 0.00 0.00
106
+ ATOM 106 C PTH 1 83.34 87.82 24.46 0.00 0.00
107
+ ATOM 107 C PTH 1 83.34 87.82 25.46 0.00 0.00
108
+ ATOM 108 C PTH 1 83.34 87.82 26.46 0.00 0.00
109
+ ATOM 109 C PTH 1 83.34 87.82 27.46 0.00 0.00
110
+ ATOM 110 C PTH 1 83.34 87.82 28.46 0.00 0.00
111
+ ATOM 111 C PTH 1 83.34 87.82 29.46 0.00 0.00
112
+ ATOM 112 C PTH 1 83.34 87.82 30.46 0.00 0.00
113
+ ATOM 113 C PTH 1 83.34 88.82 24.46 0.00 0.00
114
+ ATOM 114 C PTH 1 83.34 88.82 25.46 0.00 0.00
115
+ ATOM 115 C PTH 1 83.34 88.82 26.46 0.00 0.00
116
+ ATOM 116 C PTH 1 83.34 88.82 27.46 0.00 0.00
117
+ ATOM 117 C PTH 1 83.34 88.82 28.46 0.00 0.00
118
+ ATOM 118 C PTH 1 83.34 88.82 29.46 0.00 0.00
119
+ ATOM 119 C PTH 1 83.34 88.82 30.46 0.00 0.00
120
+ ATOM 120 C PTH 1 83.34 88.82 31.46 0.00 0.00
121
+ ATOM 121 C PTH 1 83.34 89.82 24.46 0.00 0.00
122
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123
+ ATOM 123 C PTH 1 83.34 89.82 26.46 0.00 0.00
124
+ ATOM 124 C PTH 1 83.34 89.82 27.46 0.00 0.00
125
+ ATOM 125 C PTH 1 83.34 89.82 28.46 0.00 0.00
126
+ ATOM 126 C PTH 1 83.34 89.82 29.46 0.00 0.00
127
+ ATOM 127 C PTH 1 83.34 89.82 30.46 0.00 0.00
128
+ ATOM 128 C PTH 1 83.34 89.82 31.46 0.00 0.00
129
+ ATOM 129 C PTH 1 83.34 89.82 32.46 0.00 0.00
130
+ ATOM 130 C PTH 1 83.34 90.82 25.46 0.00 0.00
131
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132
+ ATOM 132 C PTH 1 83.34 90.82 27.46 0.00 0.00
133
+ ATOM 133 C PTH 1 83.34 90.82 28.46 0.00 0.00
134
+ ATOM 134 C PTH 1 83.34 90.82 29.46 0.00 0.00
135
+ ATOM 135 C PTH 1 83.34 90.82 30.46 0.00 0.00
136
+ ATOM 136 C PTH 1 83.34 90.82 31.46 0.00 0.00
137
+ ATOM 137 C PTH 1 83.34 91.82 27.46 0.00 0.00
138
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139
+ ATOM 139 C PTH 1 83.34 91.82 29.46 0.00 0.00
140
+ ATOM 140 C PTH 1 83.34 91.82 30.46 0.00 0.00
141
+ ATOM 141 C PTH 1 83.34 91.82 31.46 0.00 0.00
142
+ ATOM 142 C PTH 1 84.34 84.82 26.46 0.00 0.00
143
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144
+ ATOM 144 C PTH 1 84.34 85.82 25.46 0.00 0.00
145
+ ATOM 145 C PTH 1 84.34 85.82 26.46 0.00 0.00
146
+ ATOM 146 C PTH 1 84.34 85.82 27.46 0.00 0.00
147
+ ATOM 147 C PTH 1 84.34 85.82 28.46 0.00 0.00
148
+ ATOM 148 C PTH 1 84.34 86.82 24.46 0.00 0.00
149
+ ATOM 149 C PTH 1 84.34 86.82 25.46 0.00 0.00
150
+ ATOM 150 C PTH 1 84.34 86.82 26.46 0.00 0.00
151
+ ATOM 151 C PTH 1 84.34 86.82 27.46 0.00 0.00
152
+ ATOM 152 C PTH 1 84.34 86.82 28.46 0.00 0.00
153
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154
+ ATOM 154 C PTH 1 84.34 87.82 24.46 0.00 0.00
155
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156
+ ATOM 156 C PTH 1 84.34 87.82 26.46 0.00 0.00
157
+ ATOM 157 C PTH 1 84.34 87.82 27.46 0.00 0.00
158
+ ATOM 158 C PTH 1 84.34 87.82 28.46 0.00 0.00
159
+ ATOM 159 C PTH 1 84.34 87.82 29.46 0.00 0.00
160
+ ATOM 160 C PTH 1 84.34 88.82 23.46 0.00 0.00
161
+ ATOM 161 C PTH 1 84.34 88.82 24.46 0.00 0.00
162
+ ATOM 162 C PTH 1 84.34 88.82 25.46 0.00 0.00
163
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164
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165
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166
+ ATOM 166 C PTH 1 84.34 88.82 29.46 0.00 0.00
167
+ ATOM 167 C PTH 1 84.34 88.82 30.46 0.00 0.00
168
+ ATOM 168 C PTH 1 84.34 89.82 23.46 0.00 0.00
169
+ ATOM 169 C PTH 1 84.34 89.82 24.46 0.00 0.00
170
+ ATOM 170 C PTH 1 84.34 89.82 25.46 0.00 0.00
171
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172
+ ATOM 172 C PTH 1 84.34 89.82 27.46 0.00 0.00
173
+ ATOM 173 C PTH 1 84.34 89.82 28.46 0.00 0.00
174
+ ATOM 174 C PTH 1 84.34 89.82 29.46 0.00 0.00
175
+ ATOM 175 C PTH 1 84.34 89.82 30.46 0.00 0.00
176
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177
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178
+ ATOM 178 C PTH 1 84.34 90.82 24.46 0.00 0.00
179
+ ATOM 179 C PTH 1 84.34 90.82 25.46 0.00 0.00
180
+ ATOM 180 C PTH 1 84.34 90.82 26.46 0.00 0.00
181
+ ATOM 181 C PTH 1 84.34 90.82 27.46 0.00 0.00
182
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183
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184
+ ATOM 184 C PTH 1 84.34 90.82 30.46 0.00 0.00
185
+ ATOM 185 C PTH 1 84.34 90.82 31.46 0.00 0.00
186
+ ATOM 186 C PTH 1 84.34 90.82 32.46 0.00 0.00
187
+ ATOM 187 C PTH 1 84.34 91.82 25.46 0.00 0.00
188
+ ATOM 188 C PTH 1 84.34 91.82 26.46 0.00 0.00
189
+ ATOM 189 C PTH 1 84.34 91.82 27.46 0.00 0.00
190
+ ATOM 190 C PTH 1 84.34 91.82 28.46 0.00 0.00
191
+ ATOM 191 C PTH 1 84.34 91.82 29.46 0.00 0.00
192
+ ATOM 192 C PTH 1 84.34 91.82 30.46 0.00 0.00
193
+ ATOM 193 C PTH 1 84.34 91.82 31.46 0.00 0.00
194
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195
+ ATOM 195 C PTH 1 84.34 92.82 26.46 0.00 0.00
196
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197
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198
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199
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200
+ ATOM 200 C PTH 1 85.34 85.82 24.46 0.00 0.00
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
+ ATOM 213 C PTH 1 85.34 87.82 26.46 0.00 0.00
214
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215
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216
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217
+ ATOM 217 C PTH 1 85.34 87.82 30.46 0.00 0.00
218
+ ATOM 218 C PTH 1 85.34 88.82 24.46 0.00 0.00
219
+ ATOM 219 C PTH 1 85.34 88.82 25.46 0.00 0.00
220
+ ATOM 220 C PTH 1 85.34 88.82 26.46 0.00 0.00
221
+ ATOM 221 C PTH 1 85.34 88.82 27.46 0.00 0.00
222
+ ATOM 222 C PTH 1 85.34 88.82 28.46 0.00 0.00
223
+ ATOM 223 C PTH 1 85.34 88.82 29.46 0.00 0.00
224
+ ATOM 224 C PTH 1 85.34 88.82 30.46 0.00 0.00
225
+ ATOM 225 C PTH 1 85.34 88.82 31.46 0.00 0.00
226
+ ATOM 226 C PTH 1 85.34 89.82 23.46 0.00 0.00
227
+ ATOM 227 C PTH 1 85.34 89.82 24.46 0.00 0.00
228
+ ATOM 228 C PTH 1 85.34 89.82 25.46 0.00 0.00
229
+ ATOM 229 C PTH 1 85.34 89.82 26.46 0.00 0.00
230
+ ATOM 230 C PTH 1 85.34 89.82 27.46 0.00 0.00
231
+ ATOM 231 C PTH 1 85.34 89.82 28.46 0.00 0.00
232
+ ATOM 232 C PTH 1 85.34 89.82 29.46 0.00 0.00
233
+ ATOM 233 C PTH 1 85.34 89.82 30.46 0.00 0.00
234
+ ATOM 234 C PTH 1 85.34 89.82 31.46 0.00 0.00
235
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236
+ ATOM 236 C PTH 1 85.34 90.82 24.46 0.00 0.00
237
+ ATOM 237 C PTH 1 85.34 90.82 25.46 0.00 0.00
238
+ ATOM 238 C PTH 1 85.34 90.82 26.46 0.00 0.00
239
+ ATOM 239 C PTH 1 85.34 90.82 27.46 0.00 0.00
240
+ ATOM 240 C PTH 1 85.34 90.82 28.46 0.00 0.00
241
+ ATOM 241 C PTH 1 85.34 90.82 29.46 0.00 0.00
242
+ ATOM 242 C PTH 1 85.34 90.82 30.46 0.00 0.00
243
+ ATOM 243 C PTH 1 85.34 90.82 31.46 0.00 0.00
244
+ ATOM 244 C PTH 1 85.34 90.82 32.46 0.00 0.00
245
+ ATOM 245 C PTH 1 85.34 91.82 25.46 0.00 0.00
246
+ ATOM 246 C PTH 1 85.34 91.82 26.46 0.00 0.00
247
+ ATOM 247 C PTH 1 85.34 91.82 27.46 0.00 0.00
248
+ ATOM 248 C PTH 1 85.34 91.82 28.46 0.00 0.00
249
+ ATOM 249 C PTH 1 85.34 91.82 29.46 0.00 0.00
250
+ ATOM 250 C PTH 1 85.34 91.82 30.46 0.00 0.00
251
+ ATOM 251 C PTH 1 85.34 91.82 31.46 0.00 0.00
252
+ ATOM 252 C PTH 1 85.34 91.82 32.46 0.00 0.00
253
+ ATOM 253 C PTH 1 85.34 92.82 26.46 0.00 0.00
254
+ ATOM 254 C PTH 1 85.34 92.82 27.46 0.00 0.00
255
+ ATOM 255 C PTH 1 85.34 92.82 28.46 0.00 0.00
256
+ ATOM 256 C PTH 1 85.34 92.82 29.46 0.00 0.00
257
+ ATOM 257 C PTH 1 86.34 85.82 26.46 0.00 0.00
258
+ ATOM 258 C PTH 1 86.34 85.82 27.46 0.00 0.00
259
+ ATOM 259 C PTH 1 86.34 85.82 28.46 0.00 0.00
260
+ ATOM 260 C PTH 1 86.34 85.82 29.46 0.00 0.00
261
+ ATOM 261 C PTH 1 86.34 86.82 25.46 0.00 0.00
262
+ ATOM 262 C PTH 1 86.34 86.82 26.46 0.00 0.00
263
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264
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265
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266
+ ATOM 266 C PTH 1 86.34 86.82 30.46 0.00 0.00
267
+ ATOM 267 C PTH 1 86.34 87.82 24.46 0.00 0.00
268
+ ATOM 268 C PTH 1 86.34 87.82 25.46 0.00 0.00
269
+ ATOM 269 C PTH 1 86.34 87.82 26.46 0.00 0.00
270
+ ATOM 270 C PTH 1 86.34 87.82 27.46 0.00 0.00
271
+ ATOM 271 C PTH 1 86.34 87.82 28.46 0.00 0.00
272
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273
+ ATOM 273 C PTH 1 86.34 87.82 30.46 0.00 0.00
274
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275
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276
+ ATOM 276 C PTH 1 86.34 88.82 26.46 0.00 0.00
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
+ ATOM 284 C PTH 1 86.34 89.82 26.46 0.00 0.00
285
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286
+ ATOM 286 C PTH 1 86.34 89.82 28.46 0.00 0.00
287
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288
+ ATOM 288 C PTH 1 86.34 89.82 30.46 0.00 0.00
289
+ ATOM 289 C PTH 1 86.34 89.82 31.46 0.00 0.00
290
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291
+ ATOM 291 C PTH 1 86.34 90.82 25.46 0.00 0.00
292
+ ATOM 292 C PTH 1 86.34 90.82 26.46 0.00 0.00
293
+ ATOM 293 C PTH 1 86.34 90.82 27.46 0.00 0.00
294
+ ATOM 294 C PTH 1 86.34 90.82 28.46 0.00 0.00
295
+ ATOM 295 C PTH 1 86.34 90.82 29.46 0.00 0.00
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 86.34 91.82 27.46 0.00 0.00
302
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303
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304
+ ATOM 304 C PTH 1 86.34 91.82 30.46 0.00 0.00
305
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306
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307
+ ATOM 307 C PTH 1 87.34 84.82 29.46 0.00 0.00
308
+ ATOM 308 C PTH 1 87.34 85.82 26.46 0.00 0.00
309
+ ATOM 309 C PTH 1 87.34 85.82 27.46 0.00 0.00
310
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311
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312
+ ATOM 312 C PTH 1 87.34 85.82 30.46 0.00 0.00
313
+ ATOM 313 C PTH 1 87.34 86.82 25.46 0.00 0.00
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 87.34 86.82 30.46 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
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328
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329
+ ATOM 329 C PTH 1 87.34 88.82 29.46 0.00 0.00
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
+ ATOM 346 C PTH 1 87.34 91.82 29.46 0.00 0.00
347
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348
+ ATOM 348 C PTH 1 88.34 85.82 27.46 0.00 0.00
349
+ ATOM 349 C PTH 1 88.34 85.82 28.46 0.00 0.00
350
+ ATOM 350 C PTH 1 88.34 85.82 29.46 0.00 0.00
351
+ ATOM 351 C PTH 1 88.34 85.82 30.46 0.00 0.00
352
+ ATOM 352 C PTH 1 88.34 86.82 26.46 0.00 0.00
353
+ ATOM 353 C PTH 1 88.34 86.82 27.46 0.00 0.00
354
+ ATOM 354 C PTH 1 88.34 86.82 28.46 0.00 0.00
355
+ ATOM 355 C PTH 1 88.34 86.82 29.46 0.00 0.00
356
+ ATOM 356 C PTH 1 88.34 86.82 30.46 0.00 0.00
357
+ ATOM 357 C PTH 1 88.34 87.82 26.46 0.00 0.00
358
+ ATOM 358 C PTH 1 88.34 87.82 27.46 0.00 0.00
359
+ ATOM 359 C PTH 1 88.34 87.82 28.46 0.00 0.00
360
+ ATOM 360 C PTH 1 88.34 87.82 29.46 0.00 0.00
361
+ ATOM 361 C PTH 1 88.34 87.82 30.46 0.00 0.00
362
+ ATOM 362 C PTH 1 88.34 88.82 26.46 0.00 0.00
363
+ ATOM 363 C PTH 1 88.34 88.82 27.46 0.00 0.00
364
+ ATOM 364 C PTH 1 88.34 88.82 28.46 0.00 0.00
365
+ ATOM 365 C PTH 1 88.34 88.82 29.46 0.00 0.00
366
+ ATOM 366 C PTH 1 88.34 88.82 30.46 0.00 0.00
367
+ ATOM 367 C PTH 1 88.34 89.82 27.46 0.00 0.00
368
+ ATOM 368 C PTH 1 88.34 89.82 28.46 0.00 0.00
369
+ ATOM 369 C PTH 1 88.34 89.82 29.46 0.00 0.00
370
+ ATOM 370 C PTH 1 88.34 89.82 30.46 0.00 0.00
371
+ ATOM 371 C PTH 1 88.34 90.82 30.46 0.00 0.00
372
+ ATOM 372 C PTH 1 89.34 86.82 28.46 0.00 0.00
373
+ ATOM 373 C PTH 1 89.34 87.82 27.46 0.00 0.00
374
+ ATOM 374 C PTH 1 89.34 87.82 28.46 0.00 0.00
375
+ ATOM 375 C PTH 1 89.34 87.82 29.46 0.00 0.00
data/files/A0011/pocket_05.pdb ADDED
@@ -0,0 +1,286 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 96.34 81.82 60.46 0.00 0.00
2
+ ATOM 2 C PTH 1 96.34 81.82 61.46 0.00 0.00
3
+ ATOM 3 C PTH 1 96.34 82.82 60.46 0.00 0.00
4
+ ATOM 4 C PTH 1 96.34 82.82 61.46 0.00 0.00
5
+ ATOM 5 C PTH 1 96.34 82.82 62.46 0.00 0.00
6
+ ATOM 6 C PTH 1 96.34 83.82 60.46 0.00 0.00
7
+ ATOM 7 C PTH 1 96.34 83.82 61.46 0.00 0.00
8
+ ATOM 8 C PTH 1 96.34 83.82 62.46 0.00 0.00
9
+ ATOM 9 C PTH 1 97.34 81.82 60.46 0.00 0.00
10
+ ATOM 10 C PTH 1 97.34 81.82 61.46 0.00 0.00
11
+ ATOM 11 C PTH 1 97.34 81.82 62.46 0.00 0.00
12
+ ATOM 12 C PTH 1 97.34 82.82 59.46 0.00 0.00
13
+ ATOM 13 C PTH 1 97.34 82.82 60.46 0.00 0.00
14
+ ATOM 14 C PTH 1 97.34 82.82 61.46 0.00 0.00
15
+ ATOM 15 C PTH 1 97.34 82.82 62.46 0.00 0.00
16
+ ATOM 16 C PTH 1 97.34 83.82 59.46 0.00 0.00
17
+ ATOM 17 C PTH 1 97.34 83.82 60.46 0.00 0.00
18
+ ATOM 18 C PTH 1 97.34 83.82 61.46 0.00 0.00
19
+ ATOM 19 C PTH 1 97.34 83.82 62.46 0.00 0.00
20
+ ATOM 20 C PTH 1 97.34 84.82 60.46 0.00 0.00
21
+ ATOM 21 C PTH 1 98.34 80.82 60.46 0.00 0.00
22
+ ATOM 22 C PTH 1 98.34 80.82 61.46 0.00 0.00
23
+ ATOM 23 C PTH 1 98.34 81.82 59.46 0.00 0.00
24
+ ATOM 24 C PTH 1 98.34 81.82 60.46 0.00 0.00
25
+ ATOM 25 C PTH 1 98.34 81.82 61.46 0.00 0.00
26
+ ATOM 26 C PTH 1 98.34 81.82 62.46 0.00 0.00
27
+ ATOM 27 C PTH 1 98.34 82.82 58.46 0.00 0.00
28
+ ATOM 28 C PTH 1 98.34 82.82 59.46 0.00 0.00
29
+ ATOM 29 C PTH 1 98.34 82.82 60.46 0.00 0.00
30
+ ATOM 30 C PTH 1 98.34 82.82 61.46 0.00 0.00
31
+ ATOM 31 C PTH 1 98.34 82.82 62.46 0.00 0.00
32
+ ATOM 32 C PTH 1 98.34 82.82 63.46 0.00 0.00
33
+ ATOM 33 C PTH 1 98.34 83.82 58.46 0.00 0.00
34
+ ATOM 34 C PTH 1 98.34 83.82 59.46 0.00 0.00
35
+ ATOM 35 C PTH 1 98.34 83.82 60.46 0.00 0.00
36
+ ATOM 36 C PTH 1 98.34 83.82 61.46 0.00 0.00
37
+ ATOM 37 C PTH 1 98.34 83.82 62.46 0.00 0.00
38
+ ATOM 38 C PTH 1 98.34 84.82 58.46 0.00 0.00
39
+ ATOM 39 C PTH 1 98.34 84.82 59.46 0.00 0.00
40
+ ATOM 40 C PTH 1 98.34 84.82 60.46 0.00 0.00
41
+ ATOM 41 C PTH 1 98.34 84.82 61.46 0.00 0.00
42
+ ATOM 42 C PTH 1 99.34 79.82 58.46 0.00 0.00
43
+ ATOM 43 C PTH 1 99.34 79.82 59.46 0.00 0.00
44
+ ATOM 44 C PTH 1 99.34 79.82 60.46 0.00 0.00
45
+ ATOM 45 C PTH 1 99.34 80.82 57.46 0.00 0.00
46
+ ATOM 46 C PTH 1 99.34 80.82 58.46 0.00 0.00
47
+ ATOM 47 C PTH 1 99.34 80.82 59.46 0.00 0.00
48
+ ATOM 48 C PTH 1 99.34 80.82 60.46 0.00 0.00
49
+ ATOM 49 C PTH 1 99.34 80.82 61.46 0.00 0.00
50
+ ATOM 50 C PTH 1 99.34 81.82 57.46 0.00 0.00
51
+ ATOM 51 C PTH 1 99.34 81.82 58.46 0.00 0.00
52
+ ATOM 52 C PTH 1 99.34 81.82 59.46 0.00 0.00
53
+ ATOM 53 C PTH 1 99.34 81.82 60.46 0.00 0.00
54
+ ATOM 54 C PTH 1 99.34 81.82 61.46 0.00 0.00
55
+ ATOM 55 C PTH 1 99.34 81.82 62.46 0.00 0.00
56
+ ATOM 56 C PTH 1 99.34 81.82 63.46 0.00 0.00
57
+ ATOM 57 C PTH 1 99.34 82.82 56.46 0.00 0.00
58
+ ATOM 58 C PTH 1 99.34 82.82 57.46 0.00 0.00
59
+ ATOM 59 C PTH 1 99.34 82.82 58.46 0.00 0.00
60
+ ATOM 60 C PTH 1 99.34 82.82 59.46 0.00 0.00
61
+ ATOM 61 C PTH 1 99.34 82.82 60.46 0.00 0.00
62
+ ATOM 62 C PTH 1 99.34 82.82 61.46 0.00 0.00
63
+ ATOM 63 C PTH 1 99.34 82.82 62.46 0.00 0.00
64
+ ATOM 64 C PTH 1 99.34 83.82 56.46 0.00 0.00
65
+ ATOM 65 C PTH 1 99.34 83.82 57.46 0.00 0.00
66
+ ATOM 66 C PTH 1 99.34 83.82 58.46 0.00 0.00
67
+ ATOM 67 C PTH 1 99.34 83.82 59.46 0.00 0.00
68
+ ATOM 68 C PTH 1 99.34 83.82 60.46 0.00 0.00
69
+ ATOM 69 C PTH 1 99.34 83.82 61.46 0.00 0.00
70
+ ATOM 70 C PTH 1 99.34 83.82 62.46 0.00 0.00
71
+ ATOM 71 C PTH 1 99.34 84.82 57.46 0.00 0.00
72
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73
+ ATOM 73 C PTH 1 99.34 84.82 59.46 0.00 0.00
74
+ ATOM 74 C PTH 1 99.34 84.82 60.46 0.00 0.00
75
+ ATOM 75 C PTH 1 99.34 84.82 61.46 0.00 0.00
76
+ ATOM 76 C PTH 1 100.34 78.82 58.46 0.00 0.00
77
+ ATOM 77 C PTH 1 100.34 78.82 59.46 0.00 0.00
78
+ ATOM 78 C PTH 1 100.34 79.82 57.46 0.00 0.00
79
+ ATOM 79 C PTH 1 100.34 79.82 58.46 0.00 0.00
80
+ ATOM 80 C PTH 1 100.34 79.82 59.46 0.00 0.00
81
+ ATOM 81 C PTH 1 100.34 79.82 60.46 0.00 0.00
82
+ ATOM 82 C PTH 1 100.34 80.82 57.46 0.00 0.00
83
+ ATOM 83 C PTH 1 100.34 80.82 58.46 0.00 0.00
84
+ ATOM 84 C PTH 1 100.34 80.82 59.46 0.00 0.00
85
+ ATOM 85 C PTH 1 100.34 80.82 60.46 0.00 0.00
86
+ ATOM 86 C PTH 1 100.34 81.82 56.46 0.00 0.00
87
+ ATOM 87 C PTH 1 100.34 81.82 57.46 0.00 0.00
88
+ ATOM 88 C PTH 1 100.34 81.82 58.46 0.00 0.00
89
+ ATOM 89 C PTH 1 100.34 81.82 59.46 0.00 0.00
90
+ ATOM 90 C PTH 1 100.34 81.82 60.46 0.00 0.00
91
+ ATOM 91 C PTH 1 100.34 81.82 61.46 0.00 0.00
92
+ ATOM 92 C PTH 1 100.34 81.82 62.46 0.00 0.00
93
+ ATOM 93 C PTH 1 100.34 82.82 56.46 0.00 0.00
94
+ ATOM 94 C PTH 1 100.34 82.82 57.46 0.00 0.00
95
+ ATOM 95 C PTH 1 100.34 82.82 58.46 0.00 0.00
96
+ ATOM 96 C PTH 1 100.34 82.82 59.46 0.00 0.00
97
+ ATOM 97 C PTH 1 100.34 82.82 60.46 0.00 0.00
98
+ ATOM 98 C PTH 1 100.34 82.82 61.46 0.00 0.00
99
+ ATOM 99 C PTH 1 100.34 82.82 62.46 0.00 0.00
100
+ ATOM 100 C PTH 1 100.34 83.82 56.46 0.00 0.00
101
+ ATOM 101 C PTH 1 100.34 83.82 57.46 0.00 0.00
102
+ ATOM 102 C PTH 1 100.34 83.82 58.46 0.00 0.00
103
+ ATOM 103 C PTH 1 100.34 83.82 59.46 0.00 0.00
104
+ ATOM 104 C PTH 1 100.34 83.82 60.46 0.00 0.00
105
+ ATOM 105 C PTH 1 100.34 83.82 61.46 0.00 0.00
106
+ ATOM 106 C PTH 1 100.34 83.82 62.46 0.00 0.00
107
+ ATOM 107 C PTH 1 100.34 84.82 56.46 0.00 0.00
108
+ ATOM 108 C PTH 1 100.34 84.82 57.46 0.00 0.00
109
+ ATOM 109 C PTH 1 100.34 84.82 58.46 0.00 0.00
110
+ ATOM 110 C PTH 1 100.34 84.82 59.46 0.00 0.00
111
+ ATOM 111 C PTH 1 100.34 84.82 60.46 0.00 0.00
112
+ ATOM 112 C PTH 1 100.34 84.82 61.46 0.00 0.00
113
+ ATOM 113 C PTH 1 100.34 85.82 57.46 0.00 0.00
114
+ ATOM 114 C PTH 1 100.34 85.82 58.46 0.00 0.00
115
+ ATOM 115 C PTH 1 100.34 85.82 59.46 0.00 0.00
116
+ ATOM 116 C PTH 1 100.34 85.82 60.46 0.00 0.00
117
+ ATOM 117 C PTH 1 101.34 78.82 57.46 0.00 0.00
118
+ ATOM 118 C PTH 1 101.34 78.82 58.46 0.00 0.00
119
+ ATOM 119 C PTH 1 101.34 78.82 59.46 0.00 0.00
120
+ ATOM 120 C PTH 1 101.34 79.82 57.46 0.00 0.00
121
+ ATOM 121 C PTH 1 101.34 79.82 58.46 0.00 0.00
122
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123
+ ATOM 123 C PTH 1 101.34 79.82 60.46 0.00 0.00
124
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125
+ ATOM 125 C PTH 1 101.34 80.82 57.46 0.00 0.00
126
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127
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128
+ ATOM 128 C PTH 1 101.34 80.82 60.46 0.00 0.00
129
+ ATOM 129 C PTH 1 101.34 81.82 55.46 0.00 0.00
130
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131
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132
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133
+ ATOM 133 C PTH 1 101.34 81.82 59.46 0.00 0.00
134
+ ATOM 134 C PTH 1 101.34 81.82 60.46 0.00 0.00
135
+ ATOM 135 C PTH 1 101.34 81.82 61.46 0.00 0.00
136
+ ATOM 136 C PTH 1 101.34 82.82 55.46 0.00 0.00
137
+ ATOM 137 C PTH 1 101.34 82.82 56.46 0.00 0.00
138
+ ATOM 138 C PTH 1 101.34 82.82 57.46 0.00 0.00
139
+ ATOM 139 C PTH 1 101.34 82.82 58.46 0.00 0.00
140
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141
+ ATOM 141 C PTH 1 101.34 82.82 60.46 0.00 0.00
142
+ ATOM 142 C PTH 1 101.34 83.82 55.46 0.00 0.00
143
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144
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145
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146
+ ATOM 146 C PTH 1 101.34 83.82 59.46 0.00 0.00
147
+ ATOM 147 C PTH 1 101.34 83.82 60.46 0.00 0.00
148
+ ATOM 148 C PTH 1 101.34 83.82 61.46 0.00 0.00
149
+ ATOM 149 C PTH 1 101.34 84.82 55.46 0.00 0.00
150
+ ATOM 150 C PTH 1 101.34 84.82 56.46 0.00 0.00
151
+ ATOM 151 C PTH 1 101.34 84.82 57.46 0.00 0.00
152
+ ATOM 152 C PTH 1 101.34 84.82 58.46 0.00 0.00
153
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154
+ ATOM 154 C PTH 1 101.34 84.82 60.46 0.00 0.00
155
+ ATOM 155 C PTH 1 101.34 85.82 55.46 0.00 0.00
156
+ ATOM 156 C PTH 1 101.34 85.82 56.46 0.00 0.00
157
+ ATOM 157 C PTH 1 101.34 85.82 57.46 0.00 0.00
158
+ ATOM 158 C PTH 1 101.34 85.82 58.46 0.00 0.00
159
+ ATOM 159 C PTH 1 101.34 85.82 59.46 0.00 0.00
160
+ ATOM 160 C PTH 1 101.34 86.82 58.46 0.00 0.00
161
+ ATOM 161 C PTH 1 102.34 78.82 57.46 0.00 0.00
162
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163
+ ATOM 163 C PTH 1 102.34 79.82 56.46 0.00 0.00
164
+ ATOM 164 C PTH 1 102.34 79.82 57.46 0.00 0.00
165
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166
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167
+ ATOM 167 C PTH 1 102.34 79.82 60.46 0.00 0.00
168
+ ATOM 168 C PTH 1 102.34 80.82 55.46 0.00 0.00
169
+ ATOM 169 C PTH 1 102.34 80.82 56.46 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
+ ATOM 174 C PTH 1 102.34 81.82 55.46 0.00 0.00
175
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176
+ ATOM 176 C PTH 1 102.34 81.82 57.46 0.00 0.00
177
+ ATOM 177 C PTH 1 102.34 81.82 58.46 0.00 0.00
178
+ ATOM 178 C PTH 1 102.34 81.82 59.46 0.00 0.00
179
+ ATOM 179 C PTH 1 102.34 81.82 60.46 0.00 0.00
180
+ ATOM 180 C PTH 1 102.34 82.82 55.46 0.00 0.00
181
+ ATOM 181 C PTH 1 102.34 82.82 56.46 0.00 0.00
182
+ ATOM 182 C PTH 1 102.34 82.82 57.46 0.00 0.00
183
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184
+ ATOM 184 C PTH 1 102.34 82.82 59.46 0.00 0.00
185
+ ATOM 185 C PTH 1 102.34 82.82 60.46 0.00 0.00
186
+ ATOM 186 C PTH 1 102.34 83.82 55.46 0.00 0.00
187
+ ATOM 187 C PTH 1 102.34 83.82 56.46 0.00 0.00
188
+ ATOM 188 C PTH 1 102.34 83.82 57.46 0.00 0.00
189
+ ATOM 189 C PTH 1 102.34 83.82 58.46 0.00 0.00
190
+ ATOM 190 C PTH 1 102.34 83.82 59.46 0.00 0.00
191
+ ATOM 191 C PTH 1 102.34 83.82 60.46 0.00 0.00
192
+ ATOM 192 C PTH 1 102.34 84.82 55.46 0.00 0.00
193
+ ATOM 193 C PTH 1 102.34 84.82 56.46 0.00 0.00
194
+ ATOM 194 C PTH 1 102.34 84.82 57.46 0.00 0.00
195
+ ATOM 195 C PTH 1 102.34 84.82 58.46 0.00 0.00
196
+ ATOM 196 C PTH 1 102.34 84.82 59.46 0.00 0.00
197
+ ATOM 197 C PTH 1 102.34 85.82 55.46 0.00 0.00
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
+ ATOM 214 C PTH 1 103.34 81.82 54.46 0.00 0.00
215
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216
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217
+ ATOM 217 C PTH 1 103.34 81.82 57.46 0.00 0.00
218
+ ATOM 218 C PTH 1 103.34 81.82 58.46 0.00 0.00
219
+ ATOM 219 C PTH 1 103.34 81.82 59.46 0.00 0.00
220
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221
+ ATOM 221 C PTH 1 103.34 82.82 54.46 0.00 0.00
222
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223
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224
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225
+ ATOM 225 C PTH 1 103.34 82.82 58.46 0.00 0.00
226
+ ATOM 226 C PTH 1 103.34 82.82 59.46 0.00 0.00
227
+ ATOM 227 C PTH 1 103.34 83.82 54.46 0.00 0.00
228
+ ATOM 228 C PTH 1 103.34 83.82 55.46 0.00 0.00
229
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230
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231
+ ATOM 231 C PTH 1 103.34 83.82 58.46 0.00 0.00
232
+ ATOM 232 C PTH 1 103.34 83.82 59.46 0.00 0.00
233
+ ATOM 233 C PTH 1 103.34 84.82 54.46 0.00 0.00
234
+ ATOM 234 C PTH 1 103.34 84.82 55.46 0.00 0.00
235
+ ATOM 235 C PTH 1 103.34 84.82 56.46 0.00 0.00
236
+ ATOM 236 C PTH 1 103.34 84.82 57.46 0.00 0.00
237
+ ATOM 237 C PTH 1 103.34 84.82 58.46 0.00 0.00
238
+ ATOM 238 C PTH 1 103.34 84.82 59.46 0.00 0.00
239
+ ATOM 239 C PTH 1 103.34 85.82 55.46 0.00 0.00
240
+ ATOM 240 C PTH 1 103.34 85.82 56.46 0.00 0.00
241
+ ATOM 241 C PTH 1 103.34 85.82 57.46 0.00 0.00
242
+ ATOM 242 C PTH 1 103.34 85.82 58.46 0.00 0.00
243
+ ATOM 243 C PTH 1 103.34 86.82 55.46 0.00 0.00
244
+ ATOM 244 C PTH 1 103.34 86.82 56.46 0.00 0.00
245
+ ATOM 245 C PTH 1 103.34 86.82 57.46 0.00 0.00
246
+ ATOM 246 C PTH 1 103.34 86.82 58.46 0.00 0.00
247
+ ATOM 247 C PTH 1 104.34 80.82 56.46 0.00 0.00
248
+ ATOM 248 C PTH 1 104.34 80.82 57.46 0.00 0.00
249
+ ATOM 249 C PTH 1 104.34 80.82 58.46 0.00 0.00
250
+ ATOM 250 C PTH 1 104.34 81.82 55.46 0.00 0.00
251
+ ATOM 251 C PTH 1 104.34 81.82 56.46 0.00 0.00
252
+ ATOM 252 C PTH 1 104.34 81.82 57.46 0.00 0.00
253
+ ATOM 253 C PTH 1 104.34 81.82 58.46 0.00 0.00
254
+ ATOM 254 C PTH 1 104.34 81.82 59.46 0.00 0.00
255
+ ATOM 255 C PTH 1 104.34 82.82 54.46 0.00 0.00
256
+ ATOM 256 C PTH 1 104.34 82.82 55.46 0.00 0.00
257
+ ATOM 257 C PTH 1 104.34 82.82 56.46 0.00 0.00
258
+ ATOM 258 C PTH 1 104.34 82.82 57.46 0.00 0.00
259
+ ATOM 259 C PTH 1 104.34 82.82 58.46 0.00 0.00
260
+ ATOM 260 C PTH 1 104.34 83.82 54.46 0.00 0.00
261
+ ATOM 261 C PTH 1 104.34 83.82 55.46 0.00 0.00
262
+ ATOM 262 C PTH 1 104.34 83.82 56.46 0.00 0.00
263
+ ATOM 263 C PTH 1 104.34 83.82 57.46 0.00 0.00
264
+ ATOM 264 C PTH 1 104.34 83.82 58.46 0.00 0.00
265
+ ATOM 265 C PTH 1 104.34 83.82 59.46 0.00 0.00
266
+ ATOM 266 C PTH 1 104.34 84.82 54.46 0.00 0.00
267
+ ATOM 267 C PTH 1 104.34 84.82 55.46 0.00 0.00
268
+ ATOM 268 C PTH 1 104.34 84.82 56.46 0.00 0.00
269
+ ATOM 269 C PTH 1 104.34 84.82 57.46 0.00 0.00
270
+ ATOM 270 C PTH 1 104.34 84.82 58.46 0.00 0.00
271
+ ATOM 271 C PTH 1 104.34 85.82 55.46 0.00 0.00
272
+ ATOM 272 C PTH 1 104.34 85.82 56.46 0.00 0.00
273
+ ATOM 273 C PTH 1 104.34 85.82 57.46 0.00 0.00
274
+ ATOM 274 C PTH 1 104.34 85.82 58.46 0.00 0.00
275
+ ATOM 275 C PTH 1 104.34 86.82 55.46 0.00 0.00
276
+ ATOM 276 C PTH 1 104.34 86.82 56.46 0.00 0.00
277
+ ATOM 277 C PTH 1 104.34 86.82 57.46 0.00 0.00
278
+ ATOM 278 C PTH 1 105.34 82.82 55.46 0.00 0.00
279
+ ATOM 279 C PTH 1 105.34 82.82 56.46 0.00 0.00
280
+ ATOM 280 C PTH 1 105.34 82.82 57.46 0.00 0.00
281
+ ATOM 281 C PTH 1 105.34 83.82 55.46 0.00 0.00
282
+ ATOM 282 C PTH 1 105.34 83.82 56.46 0.00 0.00
283
+ ATOM 283 C PTH 1 105.34 83.82 57.46 0.00 0.00
284
+ ATOM 284 C PTH 1 105.34 84.82 55.46 0.00 0.00
285
+ ATOM 285 C PTH 1 105.34 84.82 56.46 0.00 0.00
286
+ ATOM 286 C PTH 1 105.34 84.82 57.46 0.00 0.00
data/files/A0011/pocket_06.pdb ADDED
@@ -0,0 +1,249 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 71.34 92.82 49.46 0.00 0.00
2
+ ATOM 2 C PTH 1 71.34 92.82 50.46 0.00 0.00
3
+ ATOM 3 C PTH 1 71.34 92.82 51.46 0.00 0.00
4
+ ATOM 4 C PTH 1 71.34 92.82 52.46 0.00 0.00
5
+ ATOM 5 C PTH 1 71.34 92.82 53.46 0.00 0.00
6
+ ATOM 6 C PTH 1 71.34 93.82 49.46 0.00 0.00
7
+ ATOM 7 C PTH 1 71.34 93.82 50.46 0.00 0.00
8
+ ATOM 8 C PTH 1 71.34 93.82 51.46 0.00 0.00
9
+ ATOM 9 C PTH 1 71.34 93.82 52.46 0.00 0.00
10
+ ATOM 10 C PTH 1 71.34 93.82 53.46 0.00 0.00
11
+ ATOM 11 C PTH 1 71.34 93.82 54.46 0.00 0.00
12
+ ATOM 12 C PTH 1 71.34 94.82 50.46 0.00 0.00
13
+ ATOM 13 C PTH 1 71.34 94.82 51.46 0.00 0.00
14
+ ATOM 14 C PTH 1 71.34 94.82 52.46 0.00 0.00
15
+ ATOM 15 C PTH 1 71.34 94.82 53.46 0.00 0.00
16
+ ATOM 16 C PTH 1 71.34 94.82 54.46 0.00 0.00
17
+ ATOM 17 C PTH 1 71.34 95.82 52.46 0.00 0.00
18
+ ATOM 18 C PTH 1 71.34 95.82 53.46 0.00 0.00
19
+ ATOM 19 C PTH 1 71.34 95.82 54.46 0.00 0.00
20
+ ATOM 20 C PTH 1 72.34 92.82 49.46 0.00 0.00
21
+ ATOM 21 C PTH 1 72.34 92.82 50.46 0.00 0.00
22
+ ATOM 22 C PTH 1 72.34 92.82 51.46 0.00 0.00
23
+ ATOM 23 C PTH 1 72.34 92.82 52.46 0.00 0.00
24
+ ATOM 24 C PTH 1 72.34 92.82 53.46 0.00 0.00
25
+ ATOM 25 C PTH 1 72.34 93.82 49.46 0.00 0.00
26
+ ATOM 26 C PTH 1 72.34 93.82 50.46 0.00 0.00
27
+ ATOM 27 C PTH 1 72.34 93.82 51.46 0.00 0.00
28
+ ATOM 28 C PTH 1 72.34 93.82 52.46 0.00 0.00
29
+ ATOM 29 C PTH 1 72.34 93.82 53.46 0.00 0.00
30
+ ATOM 30 C PTH 1 72.34 93.82 54.46 0.00 0.00
31
+ ATOM 31 C PTH 1 72.34 94.82 45.46 0.00 0.00
32
+ ATOM 32 C PTH 1 72.34 94.82 48.46 0.00 0.00
33
+ ATOM 33 C PTH 1 72.34 94.82 49.46 0.00 0.00
34
+ ATOM 34 C PTH 1 72.34 94.82 50.46 0.00 0.00
35
+ ATOM 35 C PTH 1 72.34 94.82 51.46 0.00 0.00
36
+ ATOM 36 C PTH 1 72.34 94.82 52.46 0.00 0.00
37
+ ATOM 37 C PTH 1 72.34 94.82 53.46 0.00 0.00
38
+ ATOM 38 C PTH 1 72.34 94.82 54.46 0.00 0.00
39
+ ATOM 39 C PTH 1 72.34 95.82 44.46 0.00 0.00
40
+ ATOM 40 C PTH 1 72.34 95.82 45.46 0.00 0.00
41
+ ATOM 41 C PTH 1 72.34 95.82 48.46 0.00 0.00
42
+ ATOM 42 C PTH 1 72.34 95.82 49.46 0.00 0.00
43
+ ATOM 43 C PTH 1 72.34 95.82 50.46 0.00 0.00
44
+ ATOM 44 C PTH 1 72.34 95.82 51.46 0.00 0.00
45
+ ATOM 45 C PTH 1 72.34 95.82 52.46 0.00 0.00
46
+ ATOM 46 C PTH 1 72.34 95.82 53.46 0.00 0.00
47
+ ATOM 47 C PTH 1 72.34 95.82 54.46 0.00 0.00
48
+ ATOM 48 C PTH 1 72.34 96.82 44.46 0.00 0.00
49
+ ATOM 49 C PTH 1 72.34 96.82 45.46 0.00 0.00
50
+ ATOM 50 C PTH 1 72.34 96.82 46.46 0.00 0.00
51
+ ATOM 51 C PTH 1 72.34 96.82 47.46 0.00 0.00
52
+ ATOM 52 C PTH 1 72.34 96.82 48.46 0.00 0.00
53
+ ATOM 53 C PTH 1 72.34 96.82 49.46 0.00 0.00
54
+ ATOM 54 C PTH 1 72.34 96.82 50.46 0.00 0.00
55
+ ATOM 55 C PTH 1 72.34 96.82 51.46 0.00 0.00
56
+ ATOM 56 C PTH 1 72.34 96.82 52.46 0.00 0.00
57
+ ATOM 57 C PTH 1 72.34 96.82 53.46 0.00 0.00
58
+ ATOM 58 C PTH 1 72.34 96.82 54.46 0.00 0.00
59
+ ATOM 59 C PTH 1 72.34 97.82 44.46 0.00 0.00
60
+ ATOM 60 C PTH 1 72.34 97.82 45.46 0.00 0.00
61
+ ATOM 61 C PTH 1 72.34 97.82 46.46 0.00 0.00
62
+ ATOM 62 C PTH 1 72.34 97.82 47.46 0.00 0.00
63
+ ATOM 63 C PTH 1 72.34 97.82 48.46 0.00 0.00
64
+ ATOM 64 C PTH 1 72.34 97.82 49.46 0.00 0.00
65
+ ATOM 65 C PTH 1 72.34 98.82 46.46 0.00 0.00
66
+ ATOM 66 C PTH 1 72.34 98.82 47.46 0.00 0.00
67
+ ATOM 67 C PTH 1 72.34 98.82 48.46 0.00 0.00
68
+ ATOM 68 C PTH 1 72.34 98.82 49.46 0.00 0.00
69
+ ATOM 69 C PTH 1 72.34 99.82 47.46 0.00 0.00
70
+ ATOM 70 C PTH 1 72.34 99.82 48.46 0.00 0.00
71
+ ATOM 71 C PTH 1 72.34 99.82 49.46 0.00 0.00
72
+ ATOM 72 C PTH 1 73.34 92.82 51.46 0.00 0.00
73
+ ATOM 73 C PTH 1 73.34 92.82 52.46 0.00 0.00
74
+ ATOM 74 C PTH 1 73.34 93.82 49.46 0.00 0.00
75
+ ATOM 75 C PTH 1 73.34 93.82 50.46 0.00 0.00
76
+ ATOM 76 C PTH 1 73.34 93.82 51.46 0.00 0.00
77
+ ATOM 77 C PTH 1 73.34 93.82 52.46 0.00 0.00
78
+ ATOM 78 C PTH 1 73.34 93.82 53.46 0.00 0.00
79
+ ATOM 79 C PTH 1 73.34 94.82 45.46 0.00 0.00
80
+ ATOM 80 C PTH 1 73.34 94.82 48.46 0.00 0.00
81
+ ATOM 81 C PTH 1 73.34 94.82 49.46 0.00 0.00
82
+ ATOM 82 C PTH 1 73.34 94.82 50.46 0.00 0.00
83
+ ATOM 83 C PTH 1 73.34 94.82 51.46 0.00 0.00
84
+ ATOM 84 C PTH 1 73.34 94.82 52.46 0.00 0.00
85
+ ATOM 85 C PTH 1 73.34 94.82 53.46 0.00 0.00
86
+ ATOM 86 C PTH 1 73.34 95.82 44.46 0.00 0.00
87
+ ATOM 87 C PTH 1 73.34 95.82 45.46 0.00 0.00
88
+ ATOM 88 C PTH 1 73.34 95.82 46.46 0.00 0.00
89
+ ATOM 89 C PTH 1 73.34 95.82 47.46 0.00 0.00
90
+ ATOM 90 C PTH 1 73.34 95.82 48.46 0.00 0.00
91
+ ATOM 91 C PTH 1 73.34 95.82 49.46 0.00 0.00
92
+ ATOM 92 C PTH 1 73.34 95.82 50.46 0.00 0.00
93
+ ATOM 93 C PTH 1 73.34 95.82 51.46 0.00 0.00
94
+ ATOM 94 C PTH 1 73.34 95.82 52.46 0.00 0.00
95
+ ATOM 95 C PTH 1 73.34 95.82 53.46 0.00 0.00
96
+ ATOM 96 C PTH 1 73.34 95.82 54.46 0.00 0.00
97
+ ATOM 97 C PTH 1 73.34 96.82 44.46 0.00 0.00
98
+ ATOM 98 C PTH 1 73.34 96.82 45.46 0.00 0.00
99
+ ATOM 99 C PTH 1 73.34 96.82 46.46 0.00 0.00
100
+ ATOM 100 C PTH 1 73.34 96.82 47.46 0.00 0.00
101
+ ATOM 101 C PTH 1 73.34 96.82 48.46 0.00 0.00
102
+ ATOM 102 C PTH 1 73.34 96.82 49.46 0.00 0.00
103
+ ATOM 103 C PTH 1 73.34 96.82 50.46 0.00 0.00
104
+ ATOM 104 C PTH 1 73.34 96.82 51.46 0.00 0.00
105
+ ATOM 105 C PTH 1 73.34 96.82 52.46 0.00 0.00
106
+ ATOM 106 C PTH 1 73.34 96.82 53.46 0.00 0.00
107
+ ATOM 107 C PTH 1 73.34 97.82 44.46 0.00 0.00
108
+ ATOM 108 C PTH 1 73.34 97.82 45.46 0.00 0.00
109
+ ATOM 109 C PTH 1 73.34 97.82 46.46 0.00 0.00
110
+ ATOM 110 C PTH 1 73.34 97.82 47.46 0.00 0.00
111
+ ATOM 111 C PTH 1 73.34 97.82 48.46 0.00 0.00
112
+ ATOM 112 C PTH 1 73.34 97.82 49.46 0.00 0.00
113
+ ATOM 113 C PTH 1 73.34 97.82 50.46 0.00 0.00
114
+ ATOM 114 C PTH 1 73.34 97.82 51.46 0.00 0.00
115
+ ATOM 115 C PTH 1 73.34 97.82 52.46 0.00 0.00
116
+ ATOM 116 C PTH 1 73.34 97.82 53.46 0.00 0.00
117
+ ATOM 117 C PTH 1 73.34 98.82 45.46 0.00 0.00
118
+ ATOM 118 C PTH 1 73.34 98.82 46.46 0.00 0.00
119
+ ATOM 119 C PTH 1 73.34 98.82 47.46 0.00 0.00
120
+ ATOM 120 C PTH 1 73.34 98.82 48.46 0.00 0.00
121
+ ATOM 121 C PTH 1 73.34 98.82 49.46 0.00 0.00
122
+ ATOM 122 C PTH 1 73.34 98.82 50.46 0.00 0.00
123
+ ATOM 123 C PTH 1 73.34 98.82 51.46 0.00 0.00
124
+ ATOM 124 C PTH 1 73.34 99.82 46.46 0.00 0.00
125
+ ATOM 125 C PTH 1 73.34 99.82 47.46 0.00 0.00
126
+ ATOM 126 C PTH 1 73.34 99.82 48.46 0.00 0.00
127
+ ATOM 127 C PTH 1 73.34 99.82 49.46 0.00 0.00
128
+ ATOM 128 C PTH 1 73.34 99.82 50.46 0.00 0.00
129
+ ATOM 129 C PTH 1 73.34 100.82 47.46 0.00 0.00
130
+ ATOM 130 C PTH 1 73.34 100.82 48.46 0.00 0.00
131
+ ATOM 131 C PTH 1 73.34 100.82 49.46 0.00 0.00
132
+ ATOM 132 C PTH 1 73.34 100.82 50.46 0.00 0.00
133
+ ATOM 133 C PTH 1 74.34 93.82 50.46 0.00 0.00
134
+ ATOM 134 C PTH 1 74.34 93.82 51.46 0.00 0.00
135
+ ATOM 135 C PTH 1 74.34 93.82 52.46 0.00 0.00
136
+ ATOM 136 C PTH 1 74.34 94.82 48.46 0.00 0.00
137
+ ATOM 137 C PTH 1 74.34 94.82 49.46 0.00 0.00
138
+ ATOM 138 C PTH 1 74.34 94.82 50.46 0.00 0.00
139
+ ATOM 139 C PTH 1 74.34 94.82 51.46 0.00 0.00
140
+ ATOM 140 C PTH 1 74.34 94.82 52.46 0.00 0.00
141
+ ATOM 141 C PTH 1 74.34 94.82 53.46 0.00 0.00
142
+ ATOM 142 C PTH 1 74.34 95.82 44.46 0.00 0.00
143
+ ATOM 143 C PTH 1 74.34 95.82 45.46 0.00 0.00
144
+ ATOM 144 C PTH 1 74.34 95.82 46.46 0.00 0.00
145
+ ATOM 145 C PTH 1 74.34 95.82 47.46 0.00 0.00
146
+ ATOM 146 C PTH 1 74.34 95.82 48.46 0.00 0.00
147
+ ATOM 147 C PTH 1 74.34 95.82 49.46 0.00 0.00
148
+ ATOM 148 C PTH 1 74.34 95.82 50.46 0.00 0.00
149
+ ATOM 149 C PTH 1 74.34 95.82 51.46 0.00 0.00
150
+ ATOM 150 C PTH 1 74.34 95.82 52.46 0.00 0.00
151
+ ATOM 151 C PTH 1 74.34 95.82 53.46 0.00 0.00
152
+ ATOM 152 C PTH 1 74.34 96.82 44.46 0.00 0.00
153
+ ATOM 153 C PTH 1 74.34 96.82 45.46 0.00 0.00
154
+ ATOM 154 C PTH 1 74.34 96.82 46.46 0.00 0.00
155
+ ATOM 155 C PTH 1 74.34 96.82 47.46 0.00 0.00
156
+ ATOM 156 C PTH 1 74.34 96.82 48.46 0.00 0.00
157
+ ATOM 157 C PTH 1 74.34 96.82 49.46 0.00 0.00
158
+ ATOM 158 C PTH 1 74.34 96.82 50.46 0.00 0.00
159
+ ATOM 159 C PTH 1 74.34 96.82 51.46 0.00 0.00
160
+ ATOM 160 C PTH 1 74.34 96.82 52.46 0.00 0.00
161
+ ATOM 161 C PTH 1 74.34 96.82 53.46 0.00 0.00
162
+ ATOM 162 C PTH 1 74.34 97.82 44.46 0.00 0.00
163
+ ATOM 163 C PTH 1 74.34 97.82 45.46 0.00 0.00
164
+ ATOM 164 C PTH 1 74.34 97.82 46.46 0.00 0.00
165
+ ATOM 165 C PTH 1 74.34 97.82 47.46 0.00 0.00
166
+ ATOM 166 C PTH 1 74.34 97.82 48.46 0.00 0.00
167
+ ATOM 167 C PTH 1 74.34 97.82 49.46 0.00 0.00
168
+ ATOM 168 C PTH 1 74.34 97.82 50.46 0.00 0.00
169
+ ATOM 169 C PTH 1 74.34 97.82 51.46 0.00 0.00
170
+ ATOM 170 C PTH 1 74.34 97.82 52.46 0.00 0.00
171
+ ATOM 171 C PTH 1 74.34 97.82 53.46 0.00 0.00
172
+ ATOM 172 C PTH 1 74.34 98.82 45.46 0.00 0.00
173
+ ATOM 173 C PTH 1 74.34 98.82 46.46 0.00 0.00
174
+ ATOM 174 C PTH 1 74.34 98.82 47.46 0.00 0.00
175
+ ATOM 175 C PTH 1 74.34 98.82 48.46 0.00 0.00
176
+ ATOM 176 C PTH 1 74.34 98.82 49.46 0.00 0.00
177
+ ATOM 177 C PTH 1 74.34 98.82 50.46 0.00 0.00
178
+ ATOM 178 C PTH 1 74.34 98.82 51.46 0.00 0.00
179
+ ATOM 179 C PTH 1 74.34 99.82 45.46 0.00 0.00
180
+ ATOM 180 C PTH 1 74.34 99.82 46.46 0.00 0.00
181
+ ATOM 181 C PTH 1 74.34 99.82 47.46 0.00 0.00
182
+ ATOM 182 C PTH 1 74.34 99.82 48.46 0.00 0.00
183
+ ATOM 183 C PTH 1 74.34 99.82 49.46 0.00 0.00
184
+ ATOM 184 C PTH 1 74.34 99.82 50.46 0.00 0.00
185
+ ATOM 185 C PTH 1 74.34 100.82 46.46 0.00 0.00
186
+ ATOM 186 C PTH 1 74.34 100.82 47.46 0.00 0.00
187
+ ATOM 187 C PTH 1 74.34 100.82 48.46 0.00 0.00
188
+ ATOM 188 C PTH 1 74.34 100.82 49.46 0.00 0.00
189
+ ATOM 189 C PTH 1 74.34 100.82 50.46 0.00 0.00
190
+ ATOM 190 C PTH 1 75.34 95.82 46.46 0.00 0.00
191
+ ATOM 191 C PTH 1 75.34 95.82 47.46 0.00 0.00
192
+ ATOM 192 C PTH 1 75.34 95.82 48.46 0.00 0.00
193
+ ATOM 193 C PTH 1 75.34 95.82 49.46 0.00 0.00
194
+ ATOM 194 C PTH 1 75.34 95.82 50.46 0.00 0.00
195
+ ATOM 195 C PTH 1 75.34 95.82 51.46 0.00 0.00
196
+ ATOM 196 C PTH 1 75.34 95.82 52.46 0.00 0.00
197
+ ATOM 197 C PTH 1 75.34 95.82 53.46 0.00 0.00
198
+ ATOM 198 C PTH 1 75.34 96.82 45.46 0.00 0.00
199
+ ATOM 199 C PTH 1 75.34 96.82 46.46 0.00 0.00
200
+ ATOM 200 C PTH 1 75.34 96.82 47.46 0.00 0.00
201
+ ATOM 201 C PTH 1 75.34 96.82 48.46 0.00 0.00
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
+ ATOM 218 C PTH 1 75.34 98.82 48.46 0.00 0.00
219
+ ATOM 219 C PTH 1 75.34 98.82 49.46 0.00 0.00
220
+ ATOM 220 C PTH 1 75.34 98.82 50.46 0.00 0.00
221
+ ATOM 221 C PTH 1 75.34 98.82 51.46 0.00 0.00
222
+ ATOM 222 C PTH 1 75.34 99.82 46.46 0.00 0.00
223
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224
+ ATOM 224 C PTH 1 75.34 99.82 48.46 0.00 0.00
225
+ ATOM 225 C PTH 1 75.34 99.82 49.46 0.00 0.00
226
+ ATOM 226 C PTH 1 75.34 99.82 50.46 0.00 0.00
227
+ ATOM 227 C PTH 1 75.34 99.82 51.46 0.00 0.00
228
+ ATOM 228 C PTH 1 75.34 100.82 49.46 0.00 0.00
229
+ ATOM 229 C PTH 1 75.34 100.82 50.46 0.00 0.00
230
+ ATOM 230 C PTH 1 76.34 96.82 46.46 0.00 0.00
231
+ ATOM 231 C PTH 1 76.34 96.82 47.46 0.00 0.00
232
+ ATOM 232 C PTH 1 76.34 96.82 48.46 0.00 0.00
233
+ ATOM 233 C PTH 1 76.34 96.82 49.46 0.00 0.00
234
+ ATOM 234 C PTH 1 76.34 97.82 46.46 0.00 0.00
235
+ ATOM 235 C PTH 1 76.34 97.82 47.46 0.00 0.00
236
+ ATOM 236 C PTH 1 76.34 97.82 48.46 0.00 0.00
237
+ ATOM 237 C PTH 1 76.34 97.82 49.46 0.00 0.00
238
+ ATOM 238 C PTH 1 76.34 97.82 50.46 0.00 0.00
239
+ ATOM 239 C PTH 1 76.34 98.82 46.46 0.00 0.00
240
+ ATOM 240 C PTH 1 76.34 98.82 47.46 0.00 0.00
241
+ ATOM 241 C PTH 1 76.34 98.82 48.46 0.00 0.00
242
+ ATOM 242 C PTH 1 76.34 98.82 49.46 0.00 0.00
243
+ ATOM 243 C PTH 1 76.34 98.82 50.46 0.00 0.00
244
+ ATOM 244 C PTH 1 76.34 99.82 47.46 0.00 0.00
245
+ ATOM 245 C PTH 1 76.34 99.82 49.46 0.00 0.00
246
+ ATOM 246 C PTH 1 76.34 99.82 50.46 0.00 0.00
247
+ ATOM 247 C PTH 1 76.34 100.82 49.46 0.00 0.00
248
+ ATOM 248 C PTH 1 76.34 100.82 50.46 0.00 0.00
249
+ ATOM 249 C PTH 1 76.34 100.82 51.46 0.00 0.00
data/files/A0011/pocket_07.pdb ADDED
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1
+ ATOM 1 C PTH 1 70.34 79.82 31.46 0.00 0.00
2
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data/files/A0011/pocket_08.pdb ADDED
@@ -0,0 +1,146 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 104.34 75.82 31.46 0.00 0.00
2
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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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114
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116
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118
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119
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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
+ ATOM 140 C PTH 1 110.34 76.82 34.46 0.00 0.00
141
+ ATOM 141 C PTH 1 110.34 76.82 35.46 0.00 0.00
142
+ ATOM 142 C PTH 1 110.34 76.82 36.46 0.00 0.00
143
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144
+ ATOM 144 C PTH 1 110.34 77.82 35.46 0.00 0.00
145
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146
+ ATOM 146 C PTH 1 110.34 78.82 35.46 0.00 0.00
data/files/A0011/pocket_09.pdb ADDED
@@ -0,0 +1,117 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 76.34 74.82 31.46 0.00 0.00
2
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3
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11
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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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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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41
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47
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48
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50
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51
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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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66
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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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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
+ ATOM 117 C PTH 1 82.34 75.82 31.46 0.00 0.00
data/files/A0011/pocket_10.pdb ADDED
@@ -0,0 +1,103 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 80.34 65.82 35.46 0.00 0.00
2
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3
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4
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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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43
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44
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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
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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
+ ATOM 89 C PTH 1 84.34 65.82 34.46 0.00 0.00
90
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91
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92
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93
+ ATOM 93 C PTH 1 84.34 66.82 36.46 0.00 0.00
94
+ ATOM 94 C PTH 1 84.34 66.82 37.46 0.00 0.00
95
+ ATOM 95 C PTH 1 84.34 67.82 33.46 0.00 0.00
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
+ ATOM 101 C PTH 1 84.34 68.82 35.46 0.00 0.00
102
+ ATOM 102 C PTH 1 84.34 68.82 36.46 0.00 0.00
103
+ ATOM 103 C PTH 1 84.34 68.82 37.46 0.00 0.00
data/files/A0011/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A0019/clusters_00_screenshot_14.jpg ADDED

Git LFS Details

  • SHA256: c6989bb8177e99755388128924f6ad53600f9ce25cc134c980e3b8a0e4f2b0bc
  • Pointer size: 130 Bytes
  • Size of remote file: 27.3 kB
data/files/A0019/clusters_02_screenshot_16.jpg ADDED

Git LFS Details

  • SHA256: db5d562bafe3393ce6944d57c144e2151b05d923e244cfacbf02d622af42a2f6
  • Pointer size: 130 Bytes
  • Size of remote file: 28.6 kB