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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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324
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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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346
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347
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348
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349
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350
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351
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352
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353
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354
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355
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356
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358
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361
+ ATOM 361 C PTH 1 105.6 91.46 35.76 0.00 0.00
data/files/A000B/pocket_03.pdb ADDED
@@ -0,0 +1,284 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 66.6 81.46 34.76 0.00 0.00
2
+ ATOM 2 C PTH 1 66.6 82.46 32.76 0.00 0.00
3
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4
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5
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6
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7
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8
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9
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16
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17
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19
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21
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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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45
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46
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47
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48
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49
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50
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51
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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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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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70
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71
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72
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73
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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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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
+ ATOM 94 C PTH 1 69.6 80.46 31.76 0.00 0.00
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
+ ATOM 101 C PTH 1 69.6 82.46 30.76 0.00 0.00
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
+ ATOM 110 C PTH 1 69.6 83.46 33.76 0.00 0.00
111
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112
+ ATOM 112 C PTH 1 69.6 83.46 35.76 0.00 0.00
113
+ ATOM 113 C PTH 1 69.6 83.46 36.76 0.00 0.00
114
+ ATOM 114 C PTH 1 69.6 84.46 31.76 0.00 0.00
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
+ ATOM 141 C PTH 1 70.6 81.46 30.76 0.00 0.00
142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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228
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229
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230
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
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242
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243
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244
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245
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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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284
+ ATOM 284 C PTH 1 75.6 87.46 35.76 0.00 0.00
data/files/A000B/pocket_04.pdb ADDED
@@ -0,0 +1,265 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 81.6 89.46 50.76 0.00 0.00
2
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3
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4
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5
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7
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14
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16
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17
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18
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21
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23
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27
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30
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31
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32
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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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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
+ ATOM 93 C PTH 1 84.6 89.46 51.76 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
+ ATOM 101 C PTH 1 84.6 90.46 52.76 0.00 0.00
102
+ ATOM 102 C PTH 1 84.6 90.46 53.76 0.00 0.00
103
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104
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105
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106
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107
+ ATOM 107 C PTH 1 84.6 91.46 51.76 0.00 0.00
108
+ ATOM 108 C PTH 1 84.6 91.46 52.76 0.00 0.00
109
+ ATOM 109 C PTH 1 84.6 91.46 53.76 0.00 0.00
110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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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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243
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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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259
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260
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261
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+ ATOM 265 C PTH 1 92.6 84.46 57.76 0.00 0.00
data/files/A000B/pocket_05.pdb ADDED
@@ -0,0 +1,259 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 59.6 77.46 56.76 0.00 0.00
2
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3
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4
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5
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7
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14
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17
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18
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27
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31
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32
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33
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38
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45
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46
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47
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49
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51
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52
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53
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54
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55
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56
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57
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58
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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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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
+ ATOM 125 C PTH 1 62.6 77.46 53.76 0.00 0.00
126
+ ATOM 126 C PTH 1 62.6 77.46 54.76 0.00 0.00
127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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228
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229
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230
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
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242
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243
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244
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245
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246
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247
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248
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249
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250
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251
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252
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253
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254
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255
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259
+ ATOM 259 C PTH 1 65.6 77.46 53.76 0.00 0.00
data/files/A000B/pocket_06.pdb ADDED
@@ -0,0 +1,215 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 51.6 69.46 39.76 0.00 0.00
2
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3
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4
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5
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7
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17
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18
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19
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20
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22
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26
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27
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31
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32
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33
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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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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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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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117
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121
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128
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130
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139
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141
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143
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148
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149
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data/files/A000B/pocket_07.pdb ADDED
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data/files/A000B/pocket_08.pdb ADDED
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1
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27
+ ATOM 27 C PTH 1 77.6 86.46 46.76 0.00 0.00
28
+ ATOM 28 C PTH 1 77.6 86.46 47.76 0.00 0.00
29
+ ATOM 29 C PTH 1 77.6 87.46 42.76 0.00 0.00
30
+ ATOM 30 C PTH 1 77.6 87.46 43.76 0.00 0.00
31
+ ATOM 31 C PTH 1 77.6 87.46 44.76 0.00 0.00
32
+ ATOM 32 C PTH 1 77.6 87.46 45.76 0.00 0.00
33
+ ATOM 33 C PTH 1 77.6 87.46 46.76 0.00 0.00
34
+ ATOM 34 C PTH 1 77.6 87.46 47.76 0.00 0.00
35
+ ATOM 35 C PTH 1 77.6 88.46 43.76 0.00 0.00
36
+ ATOM 36 C PTH 1 77.6 88.46 44.76 0.00 0.00
37
+ ATOM 37 C PTH 1 77.6 88.46 45.76 0.00 0.00
38
+ ATOM 38 C PTH 1 77.6 88.46 46.76 0.00 0.00
39
+ ATOM 39 C PTH 1 77.6 88.46 47.76 0.00 0.00
40
+ ATOM 40 C PTH 1 78.6 85.46 42.76 0.00 0.00
41
+ ATOM 41 C PTH 1 78.6 85.46 43.76 0.00 0.00
42
+ ATOM 42 C PTH 1 78.6 85.46 44.76 0.00 0.00
43
+ ATOM 43 C PTH 1 78.6 85.46 45.76 0.00 0.00
44
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45
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46
+ ATOM 46 C PTH 1 78.6 86.46 42.76 0.00 0.00
47
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48
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49
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50
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51
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52
+ ATOM 52 C PTH 1 78.6 86.46 48.76 0.00 0.00
53
+ ATOM 53 C PTH 1 78.6 87.46 43.76 0.00 0.00
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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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
+ ATOM 124 C PTH 1 81.6 86.46 46.76 0.00 0.00
125
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126
+ ATOM 126 C PTH 1 81.6 87.46 44.76 0.00 0.00
127
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128
+ ATOM 128 C PTH 1 81.6 87.46 46.76 0.00 0.00
129
+ ATOM 129 C PTH 1 81.6 87.46 47.76 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 81.6 88.46 47.76 0.00 0.00
134
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135
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136
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+ ATOM 137 C PTH 1 81.6 89.46 47.76 0.00 0.00
138
+ ATOM 138 C PTH 1 82.6 87.46 44.76 0.00 0.00
data/files/A000B/pocket_09.pdb ADDED
@@ -0,0 +1,111 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 74.6 61.46 21.76 0.00 0.00
2
+ ATOM 2 C PTH 1 74.6 61.46 22.76 0.00 0.00
3
+ ATOM 3 C PTH 1 74.6 61.46 23.76 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
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11
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12
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13
+ ATOM 13 C PTH 1 75.6 61.46 20.76 0.00 0.00
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
+ ATOM 22 C PTH 1 75.6 62.46 23.76 0.00 0.00
23
+ ATOM 23 C PTH 1 75.6 62.46 24.76 0.00 0.00
24
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25
+ ATOM 25 C PTH 1 75.6 63.46 20.76 0.00 0.00
26
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27
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28
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29
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30
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31
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32
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33
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34
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35
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36
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37
+ ATOM 37 C PTH 1 76.6 60.46 22.76 0.00 0.00
38
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39
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40
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46
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48
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49
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51
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53
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54
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61
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63
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64
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66
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67
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68
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69
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70
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72
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78
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79
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80
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81
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
+ ATOM 102 C PTH 1 78.6 64.46 22.76 0.00 0.00
103
+ ATOM 103 C PTH 1 78.6 64.46 23.76 0.00 0.00
104
+ ATOM 104 C PTH 1 78.6 65.46 23.76 0.00 0.00
105
+ ATOM 105 C PTH 1 79.6 60.46 23.76 0.00 0.00
106
+ ATOM 106 C PTH 1 79.6 61.46 22.76 0.00 0.00
107
+ ATOM 107 C PTH 1 79.6 61.46 23.76 0.00 0.00
108
+ ATOM 108 C PTH 1 79.6 61.46 24.76 0.00 0.00
109
+ ATOM 109 C PTH 1 79.6 62.46 22.76 0.00 0.00
110
+ ATOM 110 C PTH 1 79.6 62.46 23.76 0.00 0.00
111
+ ATOM 111 C PTH 1 79.6 63.46 22.76 0.00 0.00
data/files/A000B/pocket_10.pdb ADDED
@@ -0,0 +1,107 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 85.6 101.46 31.76 0.00 0.00
2
+ ATOM 2 C PTH 1 85.6 101.46 32.76 0.00 0.00
3
+ ATOM 3 C PTH 1 85.6 102.46 30.76 0.00 0.00
4
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30
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31
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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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46
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48
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49
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50
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51
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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
+ ATOM 58 C PTH 1 89.6 98.46 32.76 0.00 0.00
59
+ ATOM 59 C PTH 1 89.6 99.46 29.76 0.00 0.00
60
+ ATOM 60 C PTH 1 89.6 99.46 30.76 0.00 0.00
61
+ ATOM 61 C PTH 1 89.6 99.46 31.76 0.00 0.00
62
+ ATOM 62 C PTH 1 89.6 99.46 32.76 0.00 0.00
63
+ ATOM 63 C PTH 1 89.6 100.46 29.76 0.00 0.00
64
+ ATOM 64 C PTH 1 89.6 100.46 30.76 0.00 0.00
65
+ ATOM 65 C PTH 1 89.6 100.46 31.76 0.00 0.00
66
+ ATOM 66 C PTH 1 89.6 100.46 32.76 0.00 0.00
67
+ ATOM 67 C PTH 1 89.6 100.46 33.76 0.00 0.00
68
+ ATOM 68 C PTH 1 89.6 101.46 29.76 0.00 0.00
69
+ ATOM 69 C PTH 1 89.6 101.46 30.76 0.00 0.00
70
+ ATOM 70 C PTH 1 89.6 101.46 31.76 0.00 0.00
71
+ ATOM 71 C PTH 1 89.6 101.46 32.76 0.00 0.00
72
+ ATOM 72 C PTH 1 89.6 101.46 33.76 0.00 0.00
73
+ ATOM 73 C PTH 1 89.6 102.46 30.76 0.00 0.00
74
+ ATOM 74 C PTH 1 89.6 102.46 31.76 0.00 0.00
75
+ ATOM 75 C PTH 1 89.6 102.46 32.76 0.00 0.00
76
+ ATOM 76 C PTH 1 90.6 98.46 30.76 0.00 0.00
77
+ ATOM 77 C PTH 1 90.6 98.46 31.76 0.00 0.00
78
+ ATOM 78 C PTH 1 90.6 98.46 32.76 0.00 0.00
79
+ ATOM 79 C PTH 1 90.6 99.46 29.76 0.00 0.00
80
+ ATOM 80 C PTH 1 90.6 99.46 30.76 0.00 0.00
81
+ ATOM 81 C PTH 1 90.6 99.46 31.76 0.00 0.00
82
+ ATOM 82 C PTH 1 90.6 99.46 32.76 0.00 0.00
83
+ ATOM 83 C PTH 1 90.6 100.46 29.76 0.00 0.00
84
+ ATOM 84 C PTH 1 90.6 100.46 30.76 0.00 0.00
85
+ ATOM 85 C PTH 1 90.6 100.46 31.76 0.00 0.00
86
+ ATOM 86 C PTH 1 90.6 100.46 32.76 0.00 0.00
87
+ ATOM 87 C PTH 1 90.6 101.46 30.76 0.00 0.00
88
+ ATOM 88 C PTH 1 90.6 101.46 31.76 0.00 0.00
89
+ ATOM 89 C PTH 1 90.6 101.46 32.76 0.00 0.00
90
+ ATOM 90 C PTH 1 91.6 98.46 30.76 0.00 0.00
91
+ ATOM 91 C PTH 1 91.6 98.46 31.76 0.00 0.00
92
+ ATOM 92 C PTH 1 91.6 99.46 30.76 0.00 0.00
93
+ ATOM 93 C PTH 1 91.6 99.46 31.76 0.00 0.00
94
+ ATOM 94 C PTH 1 91.6 99.46 32.76 0.00 0.00
95
+ ATOM 95 C PTH 1 91.6 100.46 30.76 0.00 0.00
96
+ ATOM 96 C PTH 1 91.6 100.46 31.76 0.00 0.00
97
+ ATOM 97 C PTH 1 91.6 100.46 32.76 0.00 0.00
98
+ ATOM 98 C PTH 1 91.6 101.46 30.76 0.00 0.00
99
+ ATOM 99 C PTH 1 91.6 101.46 31.76 0.00 0.00
100
+ ATOM 100 C PTH 1 91.6 101.46 32.76 0.00 0.00
101
+ ATOM 101 C PTH 1 92.6 98.46 30.76 0.00 0.00
102
+ ATOM 102 C PTH 1 92.6 98.46 31.76 0.00 0.00
103
+ ATOM 103 C PTH 1 92.6 99.46 30.76 0.00 0.00
104
+ ATOM 104 C PTH 1 92.6 99.46 31.76 0.00 0.00
105
+ ATOM 105 C PTH 1 92.6 99.46 32.76 0.00 0.00
106
+ ATOM 106 C PTH 1 92.6 100.46 30.76 0.00 0.00
107
+ ATOM 107 C PTH 1 92.6 100.46 31.76 0.00 0.00
data/files/A000B/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A000I/pocket_01.pdb ADDED
@@ -0,0 +1,229 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 65.35 64.43 12.78 0.00 0.00
2
+ ATOM 2 C PTH 1 65.35 65.43 10.78 0.00 0.00
3
+ ATOM 3 C PTH 1 65.35 65.43 11.78 0.00 0.00
4
+ ATOM 4 C PTH 1 65.35 65.43 12.78 0.00 0.00
5
+ ATOM 5 C PTH 1 65.35 65.43 13.78 0.00 0.00
6
+ ATOM 6 C PTH 1 65.35 66.43 9.78 0.00 0.00
7
+ ATOM 7 C PTH 1 65.35 66.43 10.78 0.00 0.00
8
+ ATOM 8 C PTH 1 65.35 66.43 11.78 0.00 0.00
9
+ ATOM 9 C PTH 1 65.35 66.43 12.78 0.00 0.00
10
+ ATOM 10 C PTH 1 65.35 66.43 13.78 0.00 0.00
11
+ ATOM 11 C PTH 1 65.35 67.43 9.78 0.00 0.00
12
+ ATOM 12 C PTH 1 65.35 67.43 10.78 0.00 0.00
13
+ ATOM 13 C PTH 1 65.35 67.43 11.78 0.00 0.00
14
+ ATOM 14 C PTH 1 65.35 67.43 12.78 0.00 0.00
15
+ ATOM 15 C PTH 1 65.35 68.43 10.78 0.00 0.00
16
+ ATOM 16 C PTH 1 65.35 68.43 11.78 0.00 0.00
17
+ ATOM 17 C PTH 1 65.35 68.43 12.78 0.00 0.00
18
+ ATOM 18 C PTH 1 66.35 64.43 11.78 0.00 0.00
19
+ ATOM 19 C PTH 1 66.35 65.43 9.78 0.00 0.00
20
+ ATOM 20 C PTH 1 66.35 65.43 10.78 0.00 0.00
21
+ ATOM 21 C PTH 1 66.35 65.43 11.78 0.00 0.00
22
+ ATOM 22 C PTH 1 66.35 65.43 12.78 0.00 0.00
23
+ ATOM 23 C PTH 1 66.35 65.43 13.78 0.00 0.00
24
+ ATOM 24 C PTH 1 66.35 65.43 14.78 0.00 0.00
25
+ ATOM 25 C PTH 1 66.35 65.43 15.78 0.00 0.00
26
+ ATOM 26 C PTH 1 66.35 66.43 9.78 0.00 0.00
27
+ ATOM 27 C PTH 1 66.35 66.43 10.78 0.00 0.00
28
+ ATOM 28 C PTH 1 66.35 66.43 11.78 0.00 0.00
29
+ ATOM 29 C PTH 1 66.35 66.43 12.78 0.00 0.00
30
+ ATOM 30 C PTH 1 66.35 66.43 13.78 0.00 0.00
31
+ ATOM 31 C PTH 1 66.35 66.43 14.78 0.00 0.00
32
+ ATOM 32 C PTH 1 66.35 66.43 15.78 0.00 0.00
33
+ ATOM 33 C PTH 1 66.35 67.43 9.78 0.00 0.00
34
+ ATOM 34 C PTH 1 66.35 67.43 10.78 0.00 0.00
35
+ ATOM 35 C PTH 1 66.35 67.43 11.78 0.00 0.00
36
+ ATOM 36 C PTH 1 66.35 67.43 12.78 0.00 0.00
37
+ ATOM 37 C PTH 1 66.35 67.43 13.78 0.00 0.00
38
+ ATOM 38 C PTH 1 66.35 67.43 14.78 0.00 0.00
39
+ ATOM 39 C PTH 1 66.35 68.43 9.78 0.00 0.00
40
+ ATOM 40 C PTH 1 66.35 68.43 10.78 0.00 0.00
41
+ ATOM 41 C PTH 1 66.35 68.43 11.78 0.00 0.00
42
+ ATOM 42 C PTH 1 66.35 68.43 12.78 0.00 0.00
43
+ ATOM 43 C PTH 1 66.35 68.43 13.78 0.00 0.00
44
+ ATOM 44 C PTH 1 66.35 69.43 10.78 0.00 0.00
45
+ ATOM 45 C PTH 1 66.35 69.43 11.78 0.00 0.00
46
+ ATOM 46 C PTH 1 66.35 69.43 12.78 0.00 0.00
47
+ ATOM 47 C PTH 1 67.35 65.43 9.78 0.00 0.00
48
+ ATOM 48 C PTH 1 67.35 65.43 10.78 0.00 0.00
49
+ ATOM 49 C PTH 1 67.35 65.43 11.78 0.00 0.00
50
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51
+ ATOM 51 C PTH 1 67.35 65.43 13.78 0.00 0.00
52
+ ATOM 52 C PTH 1 67.35 65.43 14.78 0.00 0.00
53
+ ATOM 53 C PTH 1 67.35 65.43 15.78 0.00 0.00
54
+ ATOM 54 C PTH 1 67.35 66.43 9.78 0.00 0.00
55
+ ATOM 55 C PTH 1 67.35 66.43 10.78 0.00 0.00
56
+ ATOM 56 C PTH 1 67.35 66.43 11.78 0.00 0.00
57
+ ATOM 57 C PTH 1 67.35 66.43 12.78 0.00 0.00
58
+ ATOM 58 C PTH 1 67.35 66.43 13.78 0.00 0.00
59
+ ATOM 59 C PTH 1 67.35 66.43 14.78 0.00 0.00
60
+ ATOM 60 C PTH 1 67.35 66.43 15.78 0.00 0.00
61
+ ATOM 61 C PTH 1 67.35 67.43 9.78 0.00 0.00
62
+ ATOM 62 C PTH 1 67.35 67.43 10.78 0.00 0.00
63
+ ATOM 63 C PTH 1 67.35 67.43 11.78 0.00 0.00
64
+ ATOM 64 C PTH 1 67.35 67.43 12.78 0.00 0.00
65
+ ATOM 65 C PTH 1 67.35 67.43 13.78 0.00 0.00
66
+ ATOM 66 C PTH 1 67.35 67.43 14.78 0.00 0.00
67
+ ATOM 67 C PTH 1 67.35 67.43 15.78 0.00 0.00
68
+ ATOM 68 C PTH 1 67.35 68.43 9.78 0.00 0.00
69
+ ATOM 69 C PTH 1 67.35 68.43 10.78 0.00 0.00
70
+ ATOM 70 C PTH 1 67.35 68.43 11.78 0.00 0.00
71
+ ATOM 71 C PTH 1 67.35 68.43 12.78 0.00 0.00
72
+ ATOM 72 C PTH 1 67.35 68.43 13.78 0.00 0.00
73
+ ATOM 73 C PTH 1 67.35 68.43 14.78 0.00 0.00
74
+ ATOM 74 C PTH 1 67.35 69.43 10.78 0.00 0.00
75
+ ATOM 75 C PTH 1 67.35 69.43 11.78 0.00 0.00
76
+ ATOM 76 C PTH 1 67.35 69.43 12.78 0.00 0.00
77
+ ATOM 77 C PTH 1 68.35 65.43 8.78 0.00 0.00
78
+ ATOM 78 C PTH 1 68.35 65.43 9.78 0.00 0.00
79
+ ATOM 79 C PTH 1 68.35 65.43 10.78 0.00 0.00
80
+ ATOM 80 C PTH 1 68.35 65.43 11.78 0.00 0.00
81
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82
+ ATOM 82 C PTH 1 68.35 65.43 13.78 0.00 0.00
83
+ ATOM 83 C PTH 1 68.35 65.43 14.78 0.00 0.00
84
+ ATOM 84 C PTH 1 68.35 66.43 8.78 0.00 0.00
85
+ ATOM 85 C PTH 1 68.35 66.43 9.78 0.00 0.00
86
+ ATOM 86 C PTH 1 68.35 66.43 10.78 0.00 0.00
87
+ ATOM 87 C PTH 1 68.35 66.43 11.78 0.00 0.00
88
+ ATOM 88 C PTH 1 68.35 66.43 12.78 0.00 0.00
89
+ ATOM 89 C PTH 1 68.35 66.43 13.78 0.00 0.00
90
+ ATOM 90 C PTH 1 68.35 66.43 14.78 0.00 0.00
91
+ ATOM 91 C PTH 1 68.35 66.43 15.78 0.00 0.00
92
+ ATOM 92 C PTH 1 68.35 67.43 9.78 0.00 0.00
93
+ ATOM 93 C PTH 1 68.35 67.43 10.78 0.00 0.00
94
+ ATOM 94 C PTH 1 68.35 67.43 11.78 0.00 0.00
95
+ ATOM 95 C PTH 1 68.35 67.43 12.78 0.00 0.00
96
+ ATOM 96 C PTH 1 68.35 67.43 13.78 0.00 0.00
97
+ ATOM 97 C PTH 1 68.35 67.43 14.78 0.00 0.00
98
+ ATOM 98 C PTH 1 68.35 67.43 15.78 0.00 0.00
99
+ ATOM 99 C PTH 1 68.35 68.43 9.78 0.00 0.00
100
+ ATOM 100 C PTH 1 68.35 68.43 10.78 0.00 0.00
101
+ ATOM 101 C PTH 1 68.35 68.43 11.78 0.00 0.00
102
+ ATOM 102 C PTH 1 68.35 68.43 12.78 0.00 0.00
103
+ ATOM 103 C PTH 1 68.35 68.43 13.78 0.00 0.00
104
+ ATOM 104 C PTH 1 68.35 68.43 14.78 0.00 0.00
105
+ ATOM 105 C PTH 1 68.35 68.43 15.78 0.00 0.00
106
+ ATOM 106 C PTH 1 68.35 69.43 10.78 0.00 0.00
107
+ ATOM 107 C PTH 1 68.35 69.43 11.78 0.00 0.00
108
+ ATOM 108 C PTH 1 68.35 69.43 12.78 0.00 0.00
109
+ ATOM 109 C PTH 1 68.35 69.43 13.78 0.00 0.00
110
+ ATOM 110 C PTH 1 69.35 64.43 8.78 0.00 0.00
111
+ ATOM 111 C PTH 1 69.35 64.43 9.78 0.00 0.00
112
+ ATOM 112 C PTH 1 69.35 64.43 10.78 0.00 0.00
113
+ ATOM 113 C PTH 1 69.35 64.43 11.78 0.00 0.00
114
+ ATOM 114 C PTH 1 69.35 65.43 8.78 0.00 0.00
115
+ ATOM 115 C PTH 1 69.35 65.43 9.78 0.00 0.00
116
+ ATOM 116 C PTH 1 69.35 65.43 10.78 0.00 0.00
117
+ ATOM 117 C PTH 1 69.35 65.43 11.78 0.00 0.00
118
+ ATOM 118 C PTH 1 69.35 65.43 12.78 0.00 0.00
119
+ ATOM 119 C PTH 1 69.35 65.43 13.78 0.00 0.00
120
+ ATOM 120 C PTH 1 69.35 66.43 8.78 0.00 0.00
121
+ ATOM 121 C PTH 1 69.35 66.43 9.78 0.00 0.00
122
+ ATOM 122 C PTH 1 69.35 66.43 10.78 0.00 0.00
123
+ ATOM 123 C PTH 1 69.35 66.43 11.78 0.00 0.00
124
+ ATOM 124 C PTH 1 69.35 66.43 12.78 0.00 0.00
125
+ ATOM 125 C PTH 1 69.35 66.43 13.78 0.00 0.00
126
+ ATOM 126 C PTH 1 69.35 66.43 14.78 0.00 0.00
127
+ ATOM 127 C PTH 1 69.35 66.43 15.78 0.00 0.00
128
+ ATOM 128 C PTH 1 69.35 67.43 9.78 0.00 0.00
129
+ ATOM 129 C PTH 1 69.35 67.43 10.78 0.00 0.00
130
+ ATOM 130 C PTH 1 69.35 67.43 11.78 0.00 0.00
131
+ ATOM 131 C PTH 1 69.35 67.43 12.78 0.00 0.00
132
+ ATOM 132 C PTH 1 69.35 67.43 13.78 0.00 0.00
133
+ ATOM 133 C PTH 1 69.35 67.43 14.78 0.00 0.00
134
+ ATOM 134 C PTH 1 69.35 67.43 15.78 0.00 0.00
135
+ ATOM 135 C PTH 1 69.35 68.43 9.78 0.00 0.00
136
+ ATOM 136 C PTH 1 69.35 68.43 10.78 0.00 0.00
137
+ ATOM 137 C PTH 1 69.35 68.43 11.78 0.00 0.00
138
+ ATOM 138 C PTH 1 69.35 68.43 12.78 0.00 0.00
139
+ ATOM 139 C PTH 1 69.35 68.43 13.78 0.00 0.00
140
+ ATOM 140 C PTH 1 69.35 68.43 14.78 0.00 0.00
141
+ ATOM 141 C PTH 1 69.35 68.43 15.78 0.00 0.00
142
+ ATOM 142 C PTH 1 69.35 69.43 11.78 0.00 0.00
143
+ ATOM 143 C PTH 1 69.35 69.43 12.78 0.00 0.00
144
+ ATOM 144 C PTH 1 70.35 63.43 8.78 0.00 0.00
145
+ ATOM 145 C PTH 1 70.35 63.43 9.78 0.00 0.00
146
+ ATOM 146 C PTH 1 70.35 64.43 8.78 0.00 0.00
147
+ ATOM 147 C PTH 1 70.35 64.43 9.78 0.00 0.00
148
+ ATOM 148 C PTH 1 70.35 64.43 10.78 0.00 0.00
149
+ ATOM 149 C PTH 1 70.35 64.43 11.78 0.00 0.00
150
+ ATOM 150 C PTH 1 70.35 65.43 8.78 0.00 0.00
151
+ ATOM 151 C PTH 1 70.35 65.43 9.78 0.00 0.00
152
+ ATOM 152 C PTH 1 70.35 65.43 10.78 0.00 0.00
153
+ ATOM 153 C PTH 1 70.35 65.43 11.78 0.00 0.00
154
+ ATOM 154 C PTH 1 70.35 65.43 12.78 0.00 0.00
155
+ ATOM 155 C PTH 1 70.35 65.43 13.78 0.00 0.00
156
+ ATOM 156 C PTH 1 70.35 66.43 8.78 0.00 0.00
157
+ ATOM 157 C PTH 1 70.35 66.43 9.78 0.00 0.00
158
+ ATOM 158 C PTH 1 70.35 66.43 10.78 0.00 0.00
159
+ ATOM 159 C PTH 1 70.35 66.43 11.78 0.00 0.00
160
+ ATOM 160 C PTH 1 70.35 66.43 12.78 0.00 0.00
161
+ ATOM 161 C PTH 1 70.35 66.43 13.78 0.00 0.00
162
+ ATOM 162 C PTH 1 70.35 66.43 14.78 0.00 0.00
163
+ ATOM 163 C PTH 1 70.35 66.43 15.78 0.00 0.00
164
+ ATOM 164 C PTH 1 70.35 67.43 9.78 0.00 0.00
165
+ ATOM 165 C PTH 1 70.35 67.43 10.78 0.00 0.00
166
+ ATOM 166 C PTH 1 70.35 67.43 11.78 0.00 0.00
167
+ ATOM 167 C PTH 1 70.35 67.43 12.78 0.00 0.00
168
+ ATOM 168 C PTH 1 70.35 67.43 13.78 0.00 0.00
169
+ ATOM 169 C PTH 1 70.35 67.43 14.78 0.00 0.00
170
+ ATOM 170 C PTH 1 70.35 67.43 15.78 0.00 0.00
171
+ ATOM 171 C PTH 1 70.35 68.43 9.78 0.00 0.00
172
+ ATOM 172 C PTH 1 70.35 68.43 10.78 0.00 0.00
173
+ ATOM 173 C PTH 1 70.35 68.43 11.78 0.00 0.00
174
+ ATOM 174 C PTH 1 70.35 68.43 12.78 0.00 0.00
175
+ ATOM 175 C PTH 1 70.35 68.43 13.78 0.00 0.00
176
+ ATOM 176 C PTH 1 70.35 68.43 14.78 0.00 0.00
177
+ ATOM 177 C PTH 1 71.35 63.43 8.78 0.00 0.00
178
+ ATOM 178 C PTH 1 71.35 63.43 9.78 0.00 0.00
179
+ ATOM 179 C PTH 1 71.35 63.43 10.78 0.00 0.00
180
+ ATOM 180 C PTH 1 71.35 64.43 8.78 0.00 0.00
181
+ ATOM 181 C PTH 1 71.35 64.43 9.78 0.00 0.00
182
+ ATOM 182 C PTH 1 71.35 64.43 10.78 0.00 0.00
183
+ ATOM 183 C PTH 1 71.35 64.43 11.78 0.00 0.00
184
+ ATOM 184 C PTH 1 71.35 65.43 8.78 0.00 0.00
185
+ ATOM 185 C PTH 1 71.35 65.43 9.78 0.00 0.00
186
+ ATOM 186 C PTH 1 71.35 65.43 10.78 0.00 0.00
187
+ ATOM 187 C PTH 1 71.35 65.43 11.78 0.00 0.00
188
+ ATOM 188 C PTH 1 71.35 65.43 12.78 0.00 0.00
189
+ ATOM 189 C PTH 1 71.35 65.43 13.78 0.00 0.00
190
+ ATOM 190 C PTH 1 71.35 66.43 8.78 0.00 0.00
191
+ ATOM 191 C PTH 1 71.35 66.43 9.78 0.00 0.00
192
+ ATOM 192 C PTH 1 71.35 66.43 10.78 0.00 0.00
193
+ ATOM 193 C PTH 1 71.35 66.43 11.78 0.00 0.00
194
+ ATOM 194 C PTH 1 71.35 66.43 12.78 0.00 0.00
195
+ ATOM 195 C PTH 1 71.35 66.43 13.78 0.00 0.00
196
+ ATOM 196 C PTH 1 71.35 66.43 14.78 0.00 0.00
197
+ ATOM 197 C PTH 1 71.35 66.43 15.78 0.00 0.00
198
+ ATOM 198 C PTH 1 71.35 67.43 9.78 0.00 0.00
199
+ ATOM 199 C PTH 1 71.35 67.43 10.78 0.00 0.00
200
+ ATOM 200 C PTH 1 71.35 67.43 11.78 0.00 0.00
201
+ ATOM 201 C PTH 1 71.35 67.43 12.78 0.00 0.00
202
+ ATOM 202 C PTH 1 71.35 67.43 13.78 0.00 0.00
203
+ ATOM 203 C PTH 1 71.35 67.43 14.78 0.00 0.00
204
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205
+ ATOM 205 C PTH 1 71.35 68.43 11.78 0.00 0.00
206
+ ATOM 206 C PTH 1 71.35 68.43 12.78 0.00 0.00
207
+ ATOM 207 C PTH 1 71.35 68.43 13.78 0.00 0.00
208
+ ATOM 208 C PTH 1 72.35 63.43 8.78 0.00 0.00
209
+ ATOM 209 C PTH 1 72.35 63.43 9.78 0.00 0.00
210
+ ATOM 210 C PTH 1 72.35 64.43 8.78 0.00 0.00
211
+ ATOM 211 C PTH 1 72.35 64.43 9.78 0.00 0.00
212
+ ATOM 212 C PTH 1 72.35 64.43 10.78 0.00 0.00
213
+ ATOM 213 C PTH 1 72.35 64.43 11.78 0.00 0.00
214
+ ATOM 214 C PTH 1 72.35 65.43 8.78 0.00 0.00
215
+ ATOM 215 C PTH 1 72.35 65.43 9.78 0.00 0.00
216
+ ATOM 216 C PTH 1 72.35 65.43 10.78 0.00 0.00
217
+ ATOM 217 C PTH 1 72.35 65.43 11.78 0.00 0.00
218
+ ATOM 218 C PTH 1 72.35 65.43 12.78 0.00 0.00
219
+ ATOM 219 C PTH 1 72.35 66.43 9.78 0.00 0.00
220
+ ATOM 220 C PTH 1 72.35 66.43 10.78 0.00 0.00
221
+ ATOM 221 C PTH 1 72.35 66.43 11.78 0.00 0.00
222
+ ATOM 222 C PTH 1 72.35 66.43 12.78 0.00 0.00
223
+ ATOM 223 C PTH 1 72.35 67.43 9.78 0.00 0.00
224
+ ATOM 224 C PTH 1 72.35 67.43 10.78 0.00 0.00
225
+ ATOM 225 C PTH 1 72.35 67.43 11.78 0.00 0.00
226
+ ATOM 226 C PTH 1 72.35 67.43 12.78 0.00 0.00
227
+ ATOM 227 C PTH 1 72.35 68.43 10.78 0.00 0.00
228
+ ATOM 228 C PTH 1 72.35 68.43 11.78 0.00 0.00
229
+ ATOM 229 C PTH 1 72.35 68.43 12.78 0.00 0.00
data/files/A000I/pocket_02.pdb ADDED
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data/files/A000I/pocket_03.pdb ADDED
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83
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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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105
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106
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107
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111
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170
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171
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172
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173
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174
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178
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179
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180
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181
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182
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183
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184
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186
+ ATOM 186 C PTH 1 68.35 73.43 50.78 0.00 0.00
data/files/A000I/pocket_04.pdb ADDED
@@ -0,0 +1,138 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 88.35 69.43 22.78 0.00 0.00
2
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3
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138
+ ATOM 138 C PTH 1 95.35 71.43 22.78 0.00 0.00
data/files/A000I/pocket_05.pdb ADDED
@@ -0,0 +1,113 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 67.35 44.43 40.78 0.00 0.00
2
+ ATOM 2 C PTH 1 67.35 44.43 41.78 0.00 0.00
3
+ ATOM 3 C PTH 1 67.35 44.43 42.78 0.00 0.00
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34
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36
+ ATOM 36 C PTH 1 69.35 44.43 42.78 0.00 0.00
37
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38
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data/files/A000I/pocket_06.pdb ADDED
@@ -0,0 +1,96 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 60.35 73.43 27.78 0.00 0.00
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data/files/A000I/pocket_07.pdb ADDED
@@ -0,0 +1,92 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 75.35 45.43 36.78 0.00 0.00
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data/files/A000I/pocket_08.pdb ADDED
@@ -0,0 +1,86 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 81.35 75.43 34.78 0.00 0.00
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79
+ ATOM 79 C PTH 1 59.13 70.43 17.07 0.00 0.00
80
+ ATOM 80 C PTH 1 59.13 70.43 18.07 0.00 0.00
81
+ ATOM 81 C PTH 1 59.13 70.43 19.07 0.00 0.00
82
+ ATOM 82 C PTH 1 59.13 70.43 20.07 0.00 0.00
83
+ ATOM 83 C PTH 1 59.13 70.43 21.07 0.00 0.00
84
+ ATOM 84 C PTH 1 59.13 70.43 22.07 0.00 0.00
85
+ ATOM 85 C PTH 1 59.13 70.43 23.07 0.00 0.00
86
+ ATOM 86 C PTH 1 59.13 70.43 24.07 0.00 0.00
87
+ ATOM 87 C PTH 1 59.13 70.43 27.07 0.00 0.00
88
+ ATOM 88 C PTH 1 59.13 71.43 17.07 0.00 0.00
89
+ ATOM 89 C PTH 1 59.13 71.43 18.07 0.00 0.00
90
+ ATOM 90 C PTH 1 59.13 71.43 19.07 0.00 0.00
91
+ ATOM 91 C PTH 1 59.13 71.43 20.07 0.00 0.00
92
+ ATOM 92 C PTH 1 59.13 71.43 21.07 0.00 0.00
93
+ ATOM 93 C PTH 1 59.13 71.43 22.07 0.00 0.00
94
+ ATOM 94 C PTH 1 59.13 72.43 18.07 0.00 0.00
95
+ ATOM 95 C PTH 1 59.13 72.43 19.07 0.00 0.00
96
+ ATOM 96 C PTH 1 59.13 72.43 20.07 0.00 0.00
97
+ ATOM 97 C PTH 1 59.13 72.43 21.07 0.00 0.00
98
+ ATOM 98 C PTH 1 59.13 72.43 22.07 0.00 0.00
99
+ ATOM 99 C PTH 1 59.13 73.43 19.07 0.00 0.00
100
+ ATOM 100 C PTH 1 59.13 73.43 20.07 0.00 0.00
101
+ ATOM 101 C PTH 1 59.13 73.43 21.07 0.00 0.00
102
+ ATOM 102 C PTH 1 59.13 73.43 22.07 0.00 0.00
103
+ ATOM 103 C PTH 1 59.13 74.43 19.07 0.00 0.00
104
+ ATOM 104 C PTH 1 59.13 74.43 20.07 0.00 0.00
105
+ ATOM 105 C PTH 1 59.13 74.43 21.07 0.00 0.00
106
+ ATOM 106 C PTH 1 59.13 75.43 20.07 0.00 0.00
107
+ ATOM 107 C PTH 1 59.13 75.43 21.07 0.00 0.00
108
+ ATOM 108 C PTH 1 60.13 65.43 21.07 0.00 0.00
109
+ ATOM 109 C PTH 1 60.13 65.43 22.07 0.00 0.00
110
+ ATOM 110 C PTH 1 60.13 65.43 23.07 0.00 0.00
111
+ ATOM 111 C PTH 1 60.13 65.43 24.07 0.00 0.00
112
+ ATOM 112 C PTH 1 60.13 65.43 25.07 0.00 0.00
113
+ ATOM 113 C PTH 1 60.13 66.43 20.07 0.00 0.00
114
+ ATOM 114 C PTH 1 60.13 66.43 21.07 0.00 0.00
115
+ ATOM 115 C PTH 1 60.13 66.43 22.07 0.00 0.00
116
+ ATOM 116 C PTH 1 60.13 66.43 23.07 0.00 0.00
117
+ ATOM 117 C PTH 1 60.13 66.43 24.07 0.00 0.00
118
+ ATOM 118 C PTH 1 60.13 66.43 25.07 0.00 0.00
119
+ ATOM 119 C PTH 1 60.13 67.43 19.07 0.00 0.00
120
+ ATOM 120 C PTH 1 60.13 67.43 20.07 0.00 0.00
121
+ ATOM 121 C PTH 1 60.13 67.43 21.07 0.00 0.00
122
+ ATOM 122 C PTH 1 60.13 67.43 22.07 0.00 0.00
123
+ ATOM 123 C PTH 1 60.13 67.43 23.07 0.00 0.00
124
+ ATOM 124 C PTH 1 60.13 67.43 24.07 0.00 0.00
125
+ ATOM 125 C PTH 1 60.13 67.43 25.07 0.00 0.00
126
+ ATOM 126 C PTH 1 60.13 67.43 26.07 0.00 0.00
127
+ ATOM 127 C PTH 1 60.13 68.43 17.07 0.00 0.00
128
+ ATOM 128 C PTH 1 60.13 68.43 18.07 0.00 0.00
129
+ ATOM 129 C PTH 1 60.13 68.43 19.07 0.00 0.00
130
+ ATOM 130 C PTH 1 60.13 68.43 20.07 0.00 0.00
131
+ ATOM 131 C PTH 1 60.13 68.43 21.07 0.00 0.00
132
+ ATOM 132 C PTH 1 60.13 68.43 22.07 0.00 0.00
133
+ ATOM 133 C PTH 1 60.13 68.43 23.07 0.00 0.00
134
+ ATOM 134 C PTH 1 60.13 68.43 24.07 0.00 0.00
135
+ ATOM 135 C PTH 1 60.13 68.43 25.07 0.00 0.00
136
+ ATOM 136 C PTH 1 60.13 68.43 26.07 0.00 0.00
137
+ ATOM 137 C PTH 1 60.13 68.43 27.07 0.00 0.00
138
+ ATOM 138 C PTH 1 60.13 68.43 28.07 0.00 0.00
139
+ ATOM 139 C PTH 1 60.13 69.43 17.07 0.00 0.00
140
+ ATOM 140 C PTH 1 60.13 69.43 18.07 0.00 0.00
141
+ ATOM 141 C PTH 1 60.13 69.43 19.07 0.00 0.00
142
+ ATOM 142 C PTH 1 60.13 69.43 20.07 0.00 0.00
143
+ ATOM 143 C PTH 1 60.13 69.43 21.07 0.00 0.00
144
+ ATOM 144 C PTH 1 60.13 69.43 22.07 0.00 0.00
145
+ ATOM 145 C PTH 1 60.13 69.43 23.07 0.00 0.00
146
+ ATOM 146 C PTH 1 60.13 69.43 24.07 0.00 0.00
147
+ ATOM 147 C PTH 1 60.13 69.43 25.07 0.00 0.00
148
+ ATOM 148 C PTH 1 60.13 69.43 26.07 0.00 0.00
149
+ ATOM 149 C PTH 1 60.13 69.43 27.07 0.00 0.00
150
+ ATOM 150 C PTH 1 60.13 69.43 28.07 0.00 0.00
151
+ ATOM 151 C PTH 1 60.13 70.43 17.07 0.00 0.00
152
+ ATOM 152 C PTH 1 60.13 70.43 18.07 0.00 0.00
153
+ ATOM 153 C PTH 1 60.13 70.43 19.07 0.00 0.00
154
+ ATOM 154 C PTH 1 60.13 70.43 20.07 0.00 0.00
155
+ ATOM 155 C PTH 1 60.13 70.43 21.07 0.00 0.00
156
+ ATOM 156 C PTH 1 60.13 70.43 22.07 0.00 0.00
157
+ ATOM 157 C PTH 1 60.13 70.43 23.07 0.00 0.00
158
+ ATOM 158 C PTH 1 60.13 70.43 24.07 0.00 0.00
159
+ ATOM 159 C PTH 1 60.13 70.43 25.07 0.00 0.00
160
+ ATOM 160 C PTH 1 60.13 70.43 26.07 0.00 0.00
161
+ ATOM 161 C PTH 1 60.13 70.43 27.07 0.00 0.00
162
+ ATOM 162 C PTH 1 60.13 70.43 28.07 0.00 0.00
163
+ ATOM 163 C PTH 1 60.13 71.43 17.07 0.00 0.00
164
+ ATOM 164 C PTH 1 60.13 71.43 18.07 0.00 0.00
165
+ ATOM 165 C PTH 1 60.13 71.43 19.07 0.00 0.00
166
+ ATOM 166 C PTH 1 60.13 71.43 20.07 0.00 0.00
167
+ ATOM 167 C PTH 1 60.13 71.43 21.07 0.00 0.00
168
+ ATOM 168 C PTH 1 60.13 71.43 22.07 0.00 0.00
169
+ ATOM 169 C PTH 1 60.13 71.43 23.07 0.00 0.00
170
+ ATOM 170 C PTH 1 60.13 71.43 24.07 0.00 0.00
171
+ ATOM 171 C PTH 1 60.13 71.43 25.07 0.00 0.00
172
+ ATOM 172 C PTH 1 60.13 71.43 26.07 0.00 0.00
173
+ ATOM 173 C PTH 1 60.13 71.43 27.07 0.00 0.00
174
+ ATOM 174 C PTH 1 60.13 71.43 28.07 0.00 0.00
175
+ ATOM 175 C PTH 1 60.13 72.43 19.07 0.00 0.00
176
+ ATOM 176 C PTH 1 60.13 72.43 20.07 0.00 0.00
177
+ ATOM 177 C PTH 1 60.13 72.43 21.07 0.00 0.00
178
+ ATOM 178 C PTH 1 60.13 72.43 22.07 0.00 0.00
179
+ ATOM 179 C PTH 1 60.13 72.43 23.07 0.00 0.00
180
+ ATOM 180 C PTH 1 60.13 72.43 24.07 0.00 0.00
181
+ ATOM 181 C PTH 1 60.13 72.43 25.07 0.00 0.00
182
+ ATOM 182 C PTH 1 60.13 72.43 26.07 0.00 0.00
183
+ ATOM 183 C PTH 1 60.13 73.43 18.07 0.00 0.00
184
+ ATOM 184 C PTH 1 60.13 73.43 19.07 0.00 0.00
185
+ ATOM 185 C PTH 1 60.13 73.43 20.07 0.00 0.00
186
+ ATOM 186 C PTH 1 60.13 73.43 21.07 0.00 0.00
187
+ ATOM 187 C PTH 1 60.13 73.43 22.07 0.00 0.00
188
+ ATOM 188 C PTH 1 60.13 73.43 23.07 0.00 0.00
189
+ ATOM 189 C PTH 1 60.13 73.43 24.07 0.00 0.00
190
+ ATOM 190 C PTH 1 60.13 73.43 25.07 0.00 0.00
191
+ ATOM 191 C PTH 1 60.13 74.43 19.07 0.00 0.00
192
+ ATOM 192 C PTH 1 60.13 74.43 20.07 0.00 0.00
193
+ ATOM 193 C PTH 1 60.13 74.43 21.07 0.00 0.00
194
+ ATOM 194 C PTH 1 60.13 74.43 22.07 0.00 0.00
195
+ ATOM 195 C PTH 1 60.13 74.43 23.07 0.00 0.00
196
+ ATOM 196 C PTH 1 60.13 75.43 20.07 0.00 0.00
197
+ ATOM 197 C PTH 1 60.13 75.43 21.07 0.00 0.00
198
+ ATOM 198 C PTH 1 60.13 75.43 22.07 0.00 0.00
199
+ ATOM 199 C PTH 1 60.13 75.43 23.07 0.00 0.00
200
+ ATOM 200 C PTH 1 60.13 76.43 20.07 0.00 0.00
201
+ ATOM 201 C PTH 1 60.13 76.43 21.07 0.00 0.00
202
+ ATOM 202 C PTH 1 60.13 76.43 22.07 0.00 0.00
203
+ ATOM 203 C PTH 1 61.13 64.43 25.07 0.00 0.00
204
+ ATOM 204 C PTH 1 61.13 65.43 21.07 0.00 0.00
205
+ ATOM 205 C PTH 1 61.13 65.43 22.07 0.00 0.00
206
+ ATOM 206 C PTH 1 61.13 65.43 23.07 0.00 0.00
207
+ ATOM 207 C PTH 1 61.13 65.43 24.07 0.00 0.00
208
+ ATOM 208 C PTH 1 61.13 65.43 25.07 0.00 0.00
209
+ ATOM 209 C PTH 1 61.13 65.43 26.07 0.00 0.00
210
+ ATOM 210 C PTH 1 61.13 66.43 21.07 0.00 0.00
211
+ ATOM 211 C PTH 1 61.13 66.43 22.07 0.00 0.00
212
+ ATOM 212 C PTH 1 61.13 66.43 23.07 0.00 0.00
213
+ ATOM 213 C PTH 1 61.13 66.43 24.07 0.00 0.00
214
+ ATOM 214 C PTH 1 61.13 66.43 25.07 0.00 0.00
215
+ ATOM 215 C PTH 1 61.13 66.43 26.07 0.00 0.00
216
+ ATOM 216 C PTH 1 61.13 66.43 29.07 0.00 0.00
217
+ ATOM 217 C PTH 1 61.13 67.43 21.07 0.00 0.00
218
+ ATOM 218 C PTH 1 61.13 67.43 22.07 0.00 0.00
219
+ ATOM 219 C PTH 1 61.13 67.43 23.07 0.00 0.00
220
+ ATOM 220 C PTH 1 61.13 67.43 24.07 0.00 0.00
221
+ ATOM 221 C PTH 1 61.13 67.43 25.07 0.00 0.00
222
+ ATOM 222 C PTH 1 61.13 67.43 26.07 0.00 0.00
223
+ ATOM 223 C PTH 1 61.13 67.43 27.07 0.00 0.00
224
+ ATOM 224 C PTH 1 61.13 67.43 28.07 0.00 0.00
225
+ ATOM 225 C PTH 1 61.13 67.43 29.07 0.00 0.00
226
+ ATOM 226 C PTH 1 61.13 68.43 20.07 0.00 0.00
227
+ ATOM 227 C PTH 1 61.13 68.43 21.07 0.00 0.00
228
+ ATOM 228 C PTH 1 61.13 68.43 22.07 0.00 0.00
229
+ ATOM 229 C PTH 1 61.13 68.43 23.07 0.00 0.00
230
+ ATOM 230 C PTH 1 61.13 68.43 24.07 0.00 0.00
231
+ ATOM 231 C PTH 1 61.13 68.43 25.07 0.00 0.00
232
+ ATOM 232 C PTH 1 61.13 68.43 26.07 0.00 0.00
233
+ ATOM 233 C PTH 1 61.13 68.43 27.07 0.00 0.00
234
+ ATOM 234 C PTH 1 61.13 68.43 28.07 0.00 0.00
235
+ ATOM 235 C PTH 1 61.13 68.43 29.07 0.00 0.00
236
+ ATOM 236 C PTH 1 61.13 69.43 19.07 0.00 0.00
237
+ ATOM 237 C PTH 1 61.13 69.43 20.07 0.00 0.00
238
+ ATOM 238 C PTH 1 61.13 69.43 21.07 0.00 0.00
239
+ ATOM 239 C PTH 1 61.13 69.43 22.07 0.00 0.00
240
+ ATOM 240 C PTH 1 61.13 69.43 23.07 0.00 0.00
241
+ ATOM 241 C PTH 1 61.13 69.43 24.07 0.00 0.00
242
+ ATOM 242 C PTH 1 61.13 69.43 25.07 0.00 0.00
243
+ ATOM 243 C PTH 1 61.13 69.43 26.07 0.00 0.00
244
+ ATOM 244 C PTH 1 61.13 69.43 27.07 0.00 0.00
245
+ ATOM 245 C PTH 1 61.13 69.43 28.07 0.00 0.00
246
+ ATOM 246 C PTH 1 61.13 70.43 19.07 0.00 0.00
247
+ ATOM 247 C PTH 1 61.13 70.43 20.07 0.00 0.00
248
+ ATOM 248 C PTH 1 61.13 70.43 21.07 0.00 0.00
249
+ ATOM 249 C PTH 1 61.13 70.43 22.07 0.00 0.00
250
+ ATOM 250 C PTH 1 61.13 70.43 23.07 0.00 0.00
251
+ ATOM 251 C PTH 1 61.13 70.43 24.07 0.00 0.00
252
+ ATOM 252 C PTH 1 61.13 70.43 25.07 0.00 0.00
253
+ ATOM 253 C PTH 1 61.13 70.43 26.07 0.00 0.00
254
+ ATOM 254 C PTH 1 61.13 70.43 27.07 0.00 0.00
255
+ ATOM 255 C PTH 1 61.13 70.43 28.07 0.00 0.00
256
+ ATOM 256 C PTH 1 61.13 71.43 19.07 0.00 0.00
257
+ ATOM 257 C PTH 1 61.13 71.43 20.07 0.00 0.00
258
+ ATOM 258 C PTH 1 61.13 71.43 21.07 0.00 0.00
259
+ ATOM 259 C PTH 1 61.13 71.43 22.07 0.00 0.00
260
+ ATOM 260 C PTH 1 61.13 71.43 23.07 0.00 0.00
261
+ ATOM 261 C PTH 1 61.13 71.43 24.07 0.00 0.00
262
+ ATOM 262 C PTH 1 61.13 71.43 25.07 0.00 0.00
263
+ ATOM 263 C PTH 1 61.13 71.43 26.07 0.00 0.00
264
+ ATOM 264 C PTH 1 61.13 71.43 27.07 0.00 0.00
265
+ ATOM 265 C PTH 1 61.13 72.43 19.07 0.00 0.00
266
+ ATOM 266 C PTH 1 61.13 72.43 20.07 0.00 0.00
267
+ ATOM 267 C PTH 1 61.13 72.43 21.07 0.00 0.00
268
+ ATOM 268 C PTH 1 61.13 72.43 22.07 0.00 0.00
269
+ ATOM 269 C PTH 1 61.13 72.43 23.07 0.00 0.00
270
+ ATOM 270 C PTH 1 61.13 72.43 24.07 0.00 0.00
271
+ ATOM 271 C PTH 1 61.13 72.43 25.07 0.00 0.00
272
+ ATOM 272 C PTH 1 61.13 72.43 26.07 0.00 0.00
273
+ ATOM 273 C PTH 1 61.13 72.43 27.07 0.00 0.00
274
+ ATOM 274 C PTH 1 61.13 73.43 19.07 0.00 0.00
275
+ ATOM 275 C PTH 1 61.13 73.43 20.07 0.00 0.00
276
+ ATOM 276 C PTH 1 61.13 73.43 21.07 0.00 0.00
277
+ ATOM 277 C PTH 1 61.13 73.43 22.07 0.00 0.00
278
+ ATOM 278 C PTH 1 61.13 73.43 23.07 0.00 0.00
279
+ ATOM 279 C PTH 1 61.13 73.43 24.07 0.00 0.00
280
+ ATOM 280 C PTH 1 61.13 73.43 25.07 0.00 0.00
281
+ ATOM 281 C PTH 1 61.13 73.43 26.07 0.00 0.00
282
+ ATOM 282 C PTH 1 61.13 74.43 19.07 0.00 0.00
283
+ ATOM 283 C PTH 1 61.13 74.43 20.07 0.00 0.00
284
+ ATOM 284 C PTH 1 61.13 74.43 21.07 0.00 0.00
285
+ ATOM 285 C PTH 1 61.13 74.43 22.07 0.00 0.00
286
+ ATOM 286 C PTH 1 61.13 74.43 23.07 0.00 0.00
287
+ ATOM 287 C PTH 1 61.13 75.43 20.07 0.00 0.00
288
+ ATOM 288 C PTH 1 61.13 75.43 21.07 0.00 0.00
289
+ ATOM 289 C PTH 1 61.13 75.43 22.07 0.00 0.00
290
+ ATOM 290 C PTH 1 61.13 75.43 23.07 0.00 0.00
291
+ ATOM 291 C PTH 1 61.13 76.43 21.07 0.00 0.00
292
+ ATOM 292 C PTH 1 61.13 76.43 22.07 0.00 0.00
293
+ ATOM 293 C PTH 1 62.13 64.43 25.07 0.00 0.00
294
+ ATOM 294 C PTH 1 62.13 64.43 26.07 0.00 0.00
295
+ ATOM 295 C PTH 1 62.13 65.43 22.07 0.00 0.00
296
+ ATOM 296 C PTH 1 62.13 65.43 23.07 0.00 0.00
297
+ ATOM 297 C PTH 1 62.13 65.43 24.07 0.00 0.00
298
+ ATOM 298 C PTH 1 62.13 65.43 25.07 0.00 0.00
299
+ ATOM 299 C PTH 1 62.13 65.43 26.07 0.00 0.00
300
+ ATOM 300 C PTH 1 62.13 66.43 21.07 0.00 0.00
301
+ ATOM 301 C PTH 1 62.13 66.43 22.07 0.00 0.00
302
+ ATOM 302 C PTH 1 62.13 66.43 23.07 0.00 0.00
303
+ ATOM 303 C PTH 1 62.13 66.43 24.07 0.00 0.00
304
+ ATOM 304 C PTH 1 62.13 66.43 25.07 0.00 0.00
305
+ ATOM 305 C PTH 1 62.13 66.43 26.07 0.00 0.00
306
+ ATOM 306 C PTH 1 62.13 66.43 27.07 0.00 0.00
307
+ ATOM 307 C PTH 1 62.13 66.43 28.07 0.00 0.00
308
+ ATOM 308 C PTH 1 62.13 66.43 29.07 0.00 0.00
309
+ ATOM 309 C PTH 1 62.13 67.43 21.07 0.00 0.00
310
+ ATOM 310 C PTH 1 62.13 67.43 22.07 0.00 0.00
311
+ ATOM 311 C PTH 1 62.13 67.43 23.07 0.00 0.00
312
+ ATOM 312 C PTH 1 62.13 67.43 24.07 0.00 0.00
313
+ ATOM 313 C PTH 1 62.13 67.43 25.07 0.00 0.00
314
+ ATOM 314 C PTH 1 62.13 67.43 26.07 0.00 0.00
315
+ ATOM 315 C PTH 1 62.13 67.43 27.07 0.00 0.00
316
+ ATOM 316 C PTH 1 62.13 67.43 28.07 0.00 0.00
317
+ ATOM 317 C PTH 1 62.13 67.43 29.07 0.00 0.00
318
+ ATOM 318 C PTH 1 62.13 68.43 21.07 0.00 0.00
319
+ ATOM 319 C PTH 1 62.13 68.43 22.07 0.00 0.00
320
+ ATOM 320 C PTH 1 62.13 68.43 23.07 0.00 0.00
321
+ ATOM 321 C PTH 1 62.13 68.43 24.07 0.00 0.00
322
+ ATOM 322 C PTH 1 62.13 68.43 25.07 0.00 0.00
323
+ ATOM 323 C PTH 1 62.13 68.43 26.07 0.00 0.00
324
+ ATOM 324 C PTH 1 62.13 68.43 27.07 0.00 0.00
325
+ ATOM 325 C PTH 1 62.13 68.43 28.07 0.00 0.00
326
+ ATOM 326 C PTH 1 62.13 68.43 29.07 0.00 0.00
327
+ ATOM 327 C PTH 1 62.13 69.43 20.07 0.00 0.00
328
+ ATOM 328 C PTH 1 62.13 69.43 21.07 0.00 0.00
329
+ ATOM 329 C PTH 1 62.13 69.43 22.07 0.00 0.00
330
+ ATOM 330 C PTH 1 62.13 69.43 23.07 0.00 0.00
331
+ ATOM 331 C PTH 1 62.13 69.43 24.07 0.00 0.00
332
+ ATOM 332 C PTH 1 62.13 69.43 25.07 0.00 0.00
333
+ ATOM 333 C PTH 1 62.13 69.43 26.07 0.00 0.00
334
+ ATOM 334 C PTH 1 62.13 69.43 27.07 0.00 0.00
335
+ ATOM 335 C PTH 1 62.13 69.43 28.07 0.00 0.00
336
+ ATOM 336 C PTH 1 62.13 70.43 20.07 0.00 0.00
337
+ ATOM 337 C PTH 1 62.13 70.43 21.07 0.00 0.00
338
+ ATOM 338 C PTH 1 62.13 70.43 22.07 0.00 0.00
339
+ ATOM 339 C PTH 1 62.13 70.43 23.07 0.00 0.00
340
+ ATOM 340 C PTH 1 62.13 70.43 24.07 0.00 0.00
341
+ ATOM 341 C PTH 1 62.13 70.43 25.07 0.00 0.00
342
+ ATOM 342 C PTH 1 62.13 70.43 26.07 0.00 0.00
343
+ ATOM 343 C PTH 1 62.13 70.43 27.07 0.00 0.00
344
+ ATOM 344 C PTH 1 62.13 70.43 28.07 0.00 0.00
345
+ ATOM 345 C PTH 1 62.13 71.43 20.07 0.00 0.00
346
+ ATOM 346 C PTH 1 62.13 71.43 21.07 0.00 0.00
347
+ ATOM 347 C PTH 1 62.13 71.43 22.07 0.00 0.00
348
+ ATOM 348 C PTH 1 62.13 71.43 23.07 0.00 0.00
349
+ ATOM 349 C PTH 1 62.13 71.43 24.07 0.00 0.00
350
+ ATOM 350 C PTH 1 62.13 71.43 25.07 0.00 0.00
351
+ ATOM 351 C PTH 1 62.13 71.43 26.07 0.00 0.00
352
+ ATOM 352 C PTH 1 62.13 71.43 27.07 0.00 0.00
353
+ ATOM 353 C PTH 1 62.13 71.43 28.07 0.00 0.00
354
+ ATOM 354 C PTH 1 62.13 72.43 20.07 0.00 0.00
355
+ ATOM 355 C PTH 1 62.13 72.43 21.07 0.00 0.00
356
+ ATOM 356 C PTH 1 62.13 72.43 22.07 0.00 0.00
357
+ ATOM 357 C PTH 1 62.13 72.43 23.07 0.00 0.00
358
+ ATOM 358 C PTH 1 62.13 72.43 24.07 0.00 0.00
359
+ ATOM 359 C PTH 1 62.13 72.43 25.07 0.00 0.00
360
+ ATOM 360 C PTH 1 62.13 72.43 26.07 0.00 0.00
361
+ ATOM 361 C PTH 1 62.13 72.43 27.07 0.00 0.00
362
+ ATOM 362 C PTH 1 62.13 73.43 20.07 0.00 0.00
363
+ ATOM 363 C PTH 1 62.13 73.43 21.07 0.00 0.00
364
+ ATOM 364 C PTH 1 62.13 73.43 22.07 0.00 0.00
365
+ ATOM 365 C PTH 1 62.13 73.43 23.07 0.00 0.00
366
+ ATOM 366 C PTH 1 62.13 73.43 24.07 0.00 0.00
367
+ ATOM 367 C PTH 1 62.13 73.43 25.07 0.00 0.00
368
+ ATOM 368 C PTH 1 62.13 73.43 26.07 0.00 0.00
369
+ ATOM 369 C PTH 1 62.13 74.43 20.07 0.00 0.00
370
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371
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372
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373
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374
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375
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377
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data/files/A000O/pocket_02.pdb ADDED
@@ -0,0 +1,493 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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2
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+ ATOM 101 C PTH 1 64.13 75.43 40.07 0.00 0.00
102
+ ATOM 102 C PTH 1 64.13 75.43 41.07 0.00 0.00
103
+ ATOM 103 C PTH 1 64.13 75.43 42.07 0.00 0.00
104
+ ATOM 104 C PTH 1 64.13 76.43 37.07 0.00 0.00
105
+ ATOM 105 C PTH 1 64.13 76.43 38.07 0.00 0.00
106
+ ATOM 106 C PTH 1 64.13 76.43 39.07 0.00 0.00
107
+ ATOM 107 C PTH 1 64.13 76.43 40.07 0.00 0.00
108
+ ATOM 108 C PTH 1 64.13 76.43 41.07 0.00 0.00
109
+ ATOM 109 C PTH 1 64.13 76.43 42.07 0.00 0.00
110
+ ATOM 110 C PTH 1 64.13 77.43 37.07 0.00 0.00
111
+ ATOM 111 C PTH 1 64.13 77.43 38.07 0.00 0.00
112
+ ATOM 112 C PTH 1 64.13 77.43 39.07 0.00 0.00
113
+ ATOM 113 C PTH 1 64.13 77.43 40.07 0.00 0.00
114
+ ATOM 114 C PTH 1 64.13 77.43 41.07 0.00 0.00
115
+ ATOM 115 C PTH 1 64.13 77.43 42.07 0.00 0.00
116
+ ATOM 116 C PTH 1 64.13 78.43 37.07 0.00 0.00
117
+ ATOM 117 C PTH 1 64.13 78.43 38.07 0.00 0.00
118
+ ATOM 118 C PTH 1 64.13 78.43 39.07 0.00 0.00
119
+ ATOM 119 C PTH 1 64.13 78.43 40.07 0.00 0.00
120
+ ATOM 120 C PTH 1 64.13 78.43 41.07 0.00 0.00
121
+ ATOM 121 C PTH 1 64.13 78.43 42.07 0.00 0.00
122
+ ATOM 122 C PTH 1 64.13 79.43 37.07 0.00 0.00
123
+ ATOM 123 C PTH 1 64.13 79.43 38.07 0.00 0.00
124
+ ATOM 124 C PTH 1 64.13 79.43 39.07 0.00 0.00
125
+ ATOM 125 C PTH 1 64.13 80.43 37.07 0.00 0.00
126
+ ATOM 126 C PTH 1 64.13 80.43 38.07 0.00 0.00
127
+ ATOM 127 C PTH 1 64.13 80.43 39.07 0.00 0.00
128
+ ATOM 128 C PTH 1 65.13 70.43 36.07 0.00 0.00
129
+ ATOM 129 C PTH 1 65.13 70.43 37.07 0.00 0.00
130
+ ATOM 130 C PTH 1 65.13 70.43 38.07 0.00 0.00
131
+ ATOM 131 C PTH 1 65.13 71.43 36.07 0.00 0.00
132
+ ATOM 132 C PTH 1 65.13 71.43 37.07 0.00 0.00
133
+ ATOM 133 C PTH 1 65.13 71.43 38.07 0.00 0.00
134
+ ATOM 134 C PTH 1 65.13 72.43 37.07 0.00 0.00
135
+ ATOM 135 C PTH 1 65.13 72.43 38.07 0.00 0.00
136
+ ATOM 136 C PTH 1 65.13 73.43 37.07 0.00 0.00
137
+ ATOM 137 C PTH 1 65.13 73.43 38.07 0.00 0.00
138
+ ATOM 138 C PTH 1 65.13 73.43 39.07 0.00 0.00
139
+ ATOM 139 C PTH 1 65.13 73.43 40.07 0.00 0.00
140
+ ATOM 140 C PTH 1 65.13 74.43 37.07 0.00 0.00
141
+ ATOM 141 C PTH 1 65.13 74.43 38.07 0.00 0.00
142
+ ATOM 142 C PTH 1 65.13 74.43 39.07 0.00 0.00
143
+ ATOM 143 C PTH 1 65.13 74.43 40.07 0.00 0.00
144
+ ATOM 144 C PTH 1 65.13 74.43 41.07 0.00 0.00
145
+ ATOM 145 C PTH 1 65.13 75.43 37.07 0.00 0.00
146
+ ATOM 146 C PTH 1 65.13 75.43 38.07 0.00 0.00
147
+ ATOM 147 C PTH 1 65.13 75.43 39.07 0.00 0.00
148
+ ATOM 148 C PTH 1 65.13 75.43 40.07 0.00 0.00
149
+ ATOM 149 C PTH 1 65.13 75.43 41.07 0.00 0.00
150
+ ATOM 150 C PTH 1 65.13 75.43 42.07 0.00 0.00
151
+ ATOM 151 C PTH 1 65.13 76.43 37.07 0.00 0.00
152
+ ATOM 152 C PTH 1 65.13 76.43 38.07 0.00 0.00
153
+ ATOM 153 C PTH 1 65.13 76.43 39.07 0.00 0.00
154
+ ATOM 154 C PTH 1 65.13 76.43 40.07 0.00 0.00
155
+ ATOM 155 C PTH 1 65.13 76.43 41.07 0.00 0.00
156
+ ATOM 156 C PTH 1 65.13 76.43 42.07 0.00 0.00
157
+ ATOM 157 C PTH 1 65.13 77.43 37.07 0.00 0.00
158
+ ATOM 158 C PTH 1 65.13 77.43 38.07 0.00 0.00
159
+ ATOM 159 C PTH 1 65.13 77.43 39.07 0.00 0.00
160
+ ATOM 160 C PTH 1 65.13 77.43 40.07 0.00 0.00
161
+ ATOM 161 C PTH 1 65.13 77.43 41.07 0.00 0.00
162
+ ATOM 162 C PTH 1 65.13 77.43 42.07 0.00 0.00
163
+ ATOM 163 C PTH 1 65.13 78.43 37.07 0.00 0.00
164
+ ATOM 164 C PTH 1 65.13 78.43 38.07 0.00 0.00
165
+ ATOM 165 C PTH 1 65.13 78.43 39.07 0.00 0.00
166
+ ATOM 166 C PTH 1 65.13 78.43 40.07 0.00 0.00
167
+ ATOM 167 C PTH 1 65.13 78.43 41.07 0.00 0.00
168
+ ATOM 168 C PTH 1 65.13 78.43 42.07 0.00 0.00
169
+ ATOM 169 C PTH 1 65.13 79.43 37.07 0.00 0.00
170
+ ATOM 170 C PTH 1 65.13 79.43 38.07 0.00 0.00
171
+ ATOM 171 C PTH 1 65.13 79.43 39.07 0.00 0.00
172
+ ATOM 172 C PTH 1 65.13 80.43 38.07 0.00 0.00
173
+ ATOM 173 C PTH 1 66.13 70.43 36.07 0.00 0.00
174
+ ATOM 174 C PTH 1 66.13 70.43 37.07 0.00 0.00
175
+ ATOM 175 C PTH 1 66.13 70.43 38.07 0.00 0.00
176
+ ATOM 176 C PTH 1 66.13 71.43 36.07 0.00 0.00
177
+ ATOM 177 C PTH 1 66.13 71.43 37.07 0.00 0.00
178
+ ATOM 178 C PTH 1 66.13 71.43 38.07 0.00 0.00
179
+ ATOM 179 C PTH 1 66.13 72.43 36.07 0.00 0.00
180
+ ATOM 180 C PTH 1 66.13 72.43 37.07 0.00 0.00
181
+ ATOM 181 C PTH 1 66.13 72.43 38.07 0.00 0.00
182
+ ATOM 182 C PTH 1 66.13 73.43 36.07 0.00 0.00
183
+ ATOM 183 C PTH 1 66.13 73.43 37.07 0.00 0.00
184
+ ATOM 184 C PTH 1 66.13 73.43 38.07 0.00 0.00
185
+ ATOM 185 C PTH 1 66.13 73.43 39.07 0.00 0.00
186
+ ATOM 186 C PTH 1 66.13 74.43 36.07 0.00 0.00
187
+ ATOM 187 C PTH 1 66.13 74.43 37.07 0.00 0.00
188
+ ATOM 188 C PTH 1 66.13 74.43 38.07 0.00 0.00
189
+ ATOM 189 C PTH 1 66.13 74.43 39.07 0.00 0.00
190
+ ATOM 190 C PTH 1 66.13 74.43 40.07 0.00 0.00
191
+ ATOM 191 C PTH 1 66.13 74.43 41.07 0.00 0.00
192
+ ATOM 192 C PTH 1 66.13 75.43 36.07 0.00 0.00
193
+ ATOM 193 C PTH 1 66.13 75.43 37.07 0.00 0.00
194
+ ATOM 194 C PTH 1 66.13 75.43 38.07 0.00 0.00
195
+ ATOM 195 C PTH 1 66.13 75.43 39.07 0.00 0.00
196
+ ATOM 196 C PTH 1 66.13 75.43 40.07 0.00 0.00
197
+ ATOM 197 C PTH 1 66.13 75.43 41.07 0.00 0.00
198
+ ATOM 198 C PTH 1 66.13 76.43 36.07 0.00 0.00
199
+ ATOM 199 C PTH 1 66.13 76.43 37.07 0.00 0.00
200
+ ATOM 200 C PTH 1 66.13 76.43 38.07 0.00 0.00
201
+ ATOM 201 C PTH 1 66.13 76.43 39.07 0.00 0.00
202
+ ATOM 202 C PTH 1 66.13 76.43 40.07 0.00 0.00
203
+ ATOM 203 C PTH 1 66.13 76.43 41.07 0.00 0.00
204
+ ATOM 204 C PTH 1 66.13 77.43 36.07 0.00 0.00
205
+ ATOM 205 C PTH 1 66.13 77.43 37.07 0.00 0.00
206
+ ATOM 206 C PTH 1 66.13 77.43 38.07 0.00 0.00
207
+ ATOM 207 C PTH 1 66.13 77.43 39.07 0.00 0.00
208
+ ATOM 208 C PTH 1 66.13 77.43 40.07 0.00 0.00
209
+ ATOM 209 C PTH 1 66.13 77.43 41.07 0.00 0.00
210
+ ATOM 210 C PTH 1 66.13 78.43 37.07 0.00 0.00
211
+ ATOM 211 C PTH 1 66.13 78.43 38.07 0.00 0.00
212
+ ATOM 212 C PTH 1 66.13 78.43 39.07 0.00 0.00
213
+ ATOM 213 C PTH 1 66.13 78.43 40.07 0.00 0.00
214
+ ATOM 214 C PTH 1 66.13 78.43 41.07 0.00 0.00
215
+ ATOM 215 C PTH 1 66.13 79.43 37.07 0.00 0.00
216
+ ATOM 216 C PTH 1 66.13 79.43 38.07 0.00 0.00
217
+ ATOM 217 C PTH 1 66.13 79.43 39.07 0.00 0.00
218
+ ATOM 218 C PTH 1 67.13 70.43 36.07 0.00 0.00
219
+ ATOM 219 C PTH 1 67.13 70.43 37.07 0.00 0.00
220
+ ATOM 220 C PTH 1 67.13 70.43 38.07 0.00 0.00
221
+ ATOM 221 C PTH 1 67.13 71.43 35.07 0.00 0.00
222
+ ATOM 222 C PTH 1 67.13 71.43 36.07 0.00 0.00
223
+ ATOM 223 C PTH 1 67.13 71.43 37.07 0.00 0.00
224
+ ATOM 224 C PTH 1 67.13 71.43 38.07 0.00 0.00
225
+ ATOM 225 C PTH 1 67.13 72.43 35.07 0.00 0.00
226
+ ATOM 226 C PTH 1 67.13 72.43 36.07 0.00 0.00
227
+ ATOM 227 C PTH 1 67.13 72.43 37.07 0.00 0.00
228
+ ATOM 228 C PTH 1 67.13 72.43 38.07 0.00 0.00
229
+ ATOM 229 C PTH 1 67.13 73.43 36.07 0.00 0.00
230
+ ATOM 230 C PTH 1 67.13 73.43 37.07 0.00 0.00
231
+ ATOM 231 C PTH 1 67.13 73.43 38.07 0.00 0.00
232
+ ATOM 232 C PTH 1 67.13 74.43 36.07 0.00 0.00
233
+ ATOM 233 C PTH 1 67.13 74.43 37.07 0.00 0.00
234
+ ATOM 234 C PTH 1 67.13 74.43 38.07 0.00 0.00
235
+ ATOM 235 C PTH 1 67.13 74.43 39.07 0.00 0.00
236
+ ATOM 236 C PTH 1 67.13 75.43 36.07 0.00 0.00
237
+ ATOM 237 C PTH 1 67.13 75.43 37.07 0.00 0.00
238
+ ATOM 238 C PTH 1 67.13 75.43 38.07 0.00 0.00
239
+ ATOM 239 C PTH 1 67.13 75.43 39.07 0.00 0.00
240
+ ATOM 240 C PTH 1 67.13 75.43 40.07 0.00 0.00
241
+ ATOM 241 C PTH 1 67.13 75.43 41.07 0.00 0.00
242
+ ATOM 242 C PTH 1 67.13 76.43 36.07 0.00 0.00
243
+ ATOM 243 C PTH 1 67.13 76.43 37.07 0.00 0.00
244
+ ATOM 244 C PTH 1 67.13 76.43 38.07 0.00 0.00
245
+ ATOM 245 C PTH 1 67.13 76.43 39.07 0.00 0.00
246
+ ATOM 246 C PTH 1 67.13 76.43 40.07 0.00 0.00
247
+ ATOM 247 C PTH 1 67.13 76.43 41.07 0.00 0.00
248
+ ATOM 248 C PTH 1 67.13 77.43 35.07 0.00 0.00
249
+ ATOM 249 C PTH 1 67.13 77.43 36.07 0.00 0.00
250
+ ATOM 250 C PTH 1 67.13 77.43 37.07 0.00 0.00
251
+ ATOM 251 C PTH 1 67.13 77.43 38.07 0.00 0.00
252
+ ATOM 252 C PTH 1 67.13 77.43 39.07 0.00 0.00
253
+ ATOM 253 C PTH 1 67.13 77.43 40.07 0.00 0.00
254
+ ATOM 254 C PTH 1 67.13 77.43 41.07 0.00 0.00
255
+ ATOM 255 C PTH 1 67.13 78.43 36.07 0.00 0.00
256
+ ATOM 256 C PTH 1 67.13 78.43 37.07 0.00 0.00
257
+ ATOM 257 C PTH 1 67.13 78.43 38.07 0.00 0.00
258
+ ATOM 258 C PTH 1 67.13 78.43 39.07 0.00 0.00
259
+ ATOM 259 C PTH 1 67.13 78.43 40.07 0.00 0.00
260
+ ATOM 260 C PTH 1 67.13 78.43 41.07 0.00 0.00
261
+ ATOM 261 C PTH 1 67.13 79.43 36.07 0.00 0.00
262
+ ATOM 262 C PTH 1 67.13 79.43 37.07 0.00 0.00
263
+ ATOM 263 C PTH 1 67.13 79.43 38.07 0.00 0.00
264
+ ATOM 264 C PTH 1 67.13 79.43 39.07 0.00 0.00
265
+ ATOM 265 C PTH 1 68.13 71.43 36.07 0.00 0.00
266
+ ATOM 266 C PTH 1 68.13 71.43 37.07 0.00 0.00
267
+ ATOM 267 C PTH 1 68.13 71.43 38.07 0.00 0.00
268
+ ATOM 268 C PTH 1 68.13 72.43 36.07 0.00 0.00
269
+ ATOM 269 C PTH 1 68.13 72.43 37.07 0.00 0.00
270
+ ATOM 270 C PTH 1 68.13 72.43 38.07 0.00 0.00
271
+ ATOM 271 C PTH 1 68.13 73.43 36.07 0.00 0.00
272
+ ATOM 272 C PTH 1 68.13 73.43 37.07 0.00 0.00
273
+ ATOM 273 C PTH 1 68.13 73.43 38.07 0.00 0.00
274
+ ATOM 274 C PTH 1 68.13 74.43 35.07 0.00 0.00
275
+ ATOM 275 C PTH 1 68.13 74.43 36.07 0.00 0.00
276
+ ATOM 276 C PTH 1 68.13 74.43 37.07 0.00 0.00
277
+ ATOM 277 C PTH 1 68.13 74.43 38.07 0.00 0.00
278
+ ATOM 278 C PTH 1 68.13 75.43 35.07 0.00 0.00
279
+ ATOM 279 C PTH 1 68.13 75.43 36.07 0.00 0.00
280
+ ATOM 280 C PTH 1 68.13 75.43 37.07 0.00 0.00
281
+ ATOM 281 C PTH 1 68.13 75.43 38.07 0.00 0.00
282
+ ATOM 282 C PTH 1 68.13 75.43 39.07 0.00 0.00
283
+ ATOM 283 C PTH 1 68.13 76.43 35.07 0.00 0.00
284
+ ATOM 284 C PTH 1 68.13 76.43 36.07 0.00 0.00
285
+ ATOM 285 C PTH 1 68.13 76.43 37.07 0.00 0.00
286
+ ATOM 286 C PTH 1 68.13 76.43 38.07 0.00 0.00
287
+ ATOM 287 C PTH 1 68.13 76.43 39.07 0.00 0.00
288
+ ATOM 288 C PTH 1 68.13 76.43 40.07 0.00 0.00
289
+ ATOM 289 C PTH 1 68.13 76.43 41.07 0.00 0.00
290
+ ATOM 290 C PTH 1 68.13 77.43 35.07 0.00 0.00
291
+ ATOM 291 C PTH 1 68.13 77.43 36.07 0.00 0.00
292
+ ATOM 292 C PTH 1 68.13 77.43 37.07 0.00 0.00
293
+ ATOM 293 C PTH 1 68.13 77.43 38.07 0.00 0.00
294
+ ATOM 294 C PTH 1 68.13 77.43 39.07 0.00 0.00
295
+ ATOM 295 C PTH 1 68.13 77.43 40.07 0.00 0.00
296
+ ATOM 296 C PTH 1 68.13 77.43 41.07 0.00 0.00
297
+ ATOM 297 C PTH 1 68.13 78.43 35.07 0.00 0.00
298
+ ATOM 298 C PTH 1 68.13 78.43 36.07 0.00 0.00
299
+ ATOM 299 C PTH 1 68.13 78.43 37.07 0.00 0.00
300
+ ATOM 300 C PTH 1 68.13 78.43 38.07 0.00 0.00
301
+ ATOM 301 C PTH 1 68.13 78.43 39.07 0.00 0.00
302
+ ATOM 302 C PTH 1 68.13 78.43 40.07 0.00 0.00
303
+ ATOM 303 C PTH 1 68.13 78.43 41.07 0.00 0.00
304
+ ATOM 304 C PTH 1 68.13 79.43 36.07 0.00 0.00
305
+ ATOM 305 C PTH 1 68.13 79.43 37.07 0.00 0.00
306
+ ATOM 306 C PTH 1 68.13 79.43 38.07 0.00 0.00
307
+ ATOM 307 C PTH 1 68.13 79.43 39.07 0.00 0.00
308
+ ATOM 308 C PTH 1 69.13 71.43 36.07 0.00 0.00
309
+ ATOM 309 C PTH 1 69.13 71.43 37.07 0.00 0.00
310
+ ATOM 310 C PTH 1 69.13 72.43 36.07 0.00 0.00
311
+ ATOM 311 C PTH 1 69.13 72.43 37.07 0.00 0.00
312
+ ATOM 312 C PTH 1 69.13 72.43 38.07 0.00 0.00
313
+ ATOM 313 C PTH 1 69.13 73.43 36.07 0.00 0.00
314
+ ATOM 314 C PTH 1 69.13 73.43 37.07 0.00 0.00
315
+ ATOM 315 C PTH 1 69.13 73.43 38.07 0.00 0.00
316
+ ATOM 316 C PTH 1 69.13 74.43 35.07 0.00 0.00
317
+ ATOM 317 C PTH 1 69.13 74.43 36.07 0.00 0.00
318
+ ATOM 318 C PTH 1 69.13 74.43 37.07 0.00 0.00
319
+ ATOM 319 C PTH 1 69.13 74.43 38.07 0.00 0.00
320
+ ATOM 320 C PTH 1 69.13 74.43 39.07 0.00 0.00
321
+ ATOM 321 C PTH 1 69.13 75.43 35.07 0.00 0.00
322
+ ATOM 322 C PTH 1 69.13 75.43 36.07 0.00 0.00
323
+ ATOM 323 C PTH 1 69.13 75.43 37.07 0.00 0.00
324
+ ATOM 324 C PTH 1 69.13 75.43 38.07 0.00 0.00
325
+ ATOM 325 C PTH 1 69.13 75.43 39.07 0.00 0.00
326
+ ATOM 326 C PTH 1 69.13 76.43 35.07 0.00 0.00
327
+ ATOM 327 C PTH 1 69.13 76.43 36.07 0.00 0.00
328
+ ATOM 328 C PTH 1 69.13 76.43 37.07 0.00 0.00
329
+ ATOM 329 C PTH 1 69.13 76.43 38.07 0.00 0.00
330
+ ATOM 330 C PTH 1 69.13 76.43 39.07 0.00 0.00
331
+ ATOM 331 C PTH 1 69.13 76.43 40.07 0.00 0.00
332
+ ATOM 332 C PTH 1 69.13 77.43 35.07 0.00 0.00
333
+ ATOM 333 C PTH 1 69.13 77.43 36.07 0.00 0.00
334
+ ATOM 334 C PTH 1 69.13 77.43 37.07 0.00 0.00
335
+ ATOM 335 C PTH 1 69.13 77.43 38.07 0.00 0.00
336
+ ATOM 336 C PTH 1 69.13 77.43 39.07 0.00 0.00
337
+ ATOM 337 C PTH 1 69.13 77.43 40.07 0.00 0.00
338
+ ATOM 338 C PTH 1 69.13 77.43 41.07 0.00 0.00
339
+ ATOM 339 C PTH 1 69.13 78.43 35.07 0.00 0.00
340
+ ATOM 340 C PTH 1 69.13 78.43 36.07 0.00 0.00
341
+ ATOM 341 C PTH 1 69.13 78.43 37.07 0.00 0.00
342
+ ATOM 342 C PTH 1 69.13 78.43 38.07 0.00 0.00
343
+ ATOM 343 C PTH 1 69.13 78.43 39.07 0.00 0.00
344
+ ATOM 344 C PTH 1 69.13 78.43 40.07 0.00 0.00
345
+ ATOM 345 C PTH 1 69.13 78.43 41.07 0.00 0.00
346
+ ATOM 346 C PTH 1 69.13 79.43 36.07 0.00 0.00
347
+ ATOM 347 C PTH 1 69.13 79.43 37.07 0.00 0.00
348
+ ATOM 348 C PTH 1 69.13 79.43 38.07 0.00 0.00
349
+ ATOM 349 C PTH 1 69.13 79.43 39.07 0.00 0.00
350
+ ATOM 350 C PTH 1 70.13 71.43 37.07 0.00 0.00
351
+ ATOM 351 C PTH 1 70.13 72.43 36.07 0.00 0.00
352
+ ATOM 352 C PTH 1 70.13 72.43 37.07 0.00 0.00
353
+ ATOM 353 C PTH 1 70.13 72.43 38.07 0.00 0.00
354
+ ATOM 354 C PTH 1 70.13 73.43 36.07 0.00 0.00
355
+ ATOM 355 C PTH 1 70.13 73.43 37.07 0.00 0.00
356
+ ATOM 356 C PTH 1 70.13 73.43 38.07 0.00 0.00
357
+ ATOM 357 C PTH 1 70.13 74.43 35.07 0.00 0.00
358
+ ATOM 358 C PTH 1 70.13 74.43 36.07 0.00 0.00
359
+ ATOM 359 C PTH 1 70.13 74.43 37.07 0.00 0.00
360
+ ATOM 360 C PTH 1 70.13 74.43 38.07 0.00 0.00
361
+ ATOM 361 C PTH 1 70.13 74.43 39.07 0.00 0.00
362
+ ATOM 362 C PTH 1 70.13 75.43 35.07 0.00 0.00
363
+ ATOM 363 C PTH 1 70.13 75.43 36.07 0.00 0.00
364
+ ATOM 364 C PTH 1 70.13 75.43 37.07 0.00 0.00
365
+ ATOM 365 C PTH 1 70.13 75.43 38.07 0.00 0.00
366
+ ATOM 366 C PTH 1 70.13 75.43 39.07 0.00 0.00
367
+ ATOM 367 C PTH 1 70.13 76.43 35.07 0.00 0.00
368
+ ATOM 368 C PTH 1 70.13 76.43 36.07 0.00 0.00
369
+ ATOM 369 C PTH 1 70.13 76.43 37.07 0.00 0.00
370
+ ATOM 370 C PTH 1 70.13 76.43 38.07 0.00 0.00
371
+ ATOM 371 C PTH 1 70.13 76.43 39.07 0.00 0.00
372
+ ATOM 372 C PTH 1 70.13 77.43 35.07 0.00 0.00
373
+ ATOM 373 C PTH 1 70.13 77.43 36.07 0.00 0.00
374
+ ATOM 374 C PTH 1 70.13 77.43 37.07 0.00 0.00
375
+ ATOM 375 C PTH 1 70.13 77.43 38.07 0.00 0.00
376
+ ATOM 376 C PTH 1 70.13 77.43 39.07 0.00 0.00
377
+ ATOM 377 C PTH 1 70.13 78.43 35.07 0.00 0.00
378
+ ATOM 378 C PTH 1 70.13 78.43 36.07 0.00 0.00
379
+ ATOM 379 C PTH 1 70.13 78.43 37.07 0.00 0.00
380
+ ATOM 380 C PTH 1 70.13 78.43 38.07 0.00 0.00
381
+ ATOM 381 C PTH 1 70.13 78.43 39.07 0.00 0.00
382
+ ATOM 382 C PTH 1 70.13 78.43 40.07 0.00 0.00
383
+ ATOM 383 C PTH 1 70.13 79.43 36.07 0.00 0.00
384
+ ATOM 384 C PTH 1 70.13 79.43 37.07 0.00 0.00
385
+ ATOM 385 C PTH 1 70.13 79.43 38.07 0.00 0.00
386
+ ATOM 386 C PTH 1 70.13 79.43 39.07 0.00 0.00
387
+ ATOM 387 C PTH 1 70.13 79.43 40.07 0.00 0.00
388
+ ATOM 388 C PTH 1 70.13 80.43 38.07 0.00 0.00
389
+ ATOM 389 C PTH 1 70.13 80.43 39.07 0.00 0.00
390
+ ATOM 390 C PTH 1 71.13 72.43 37.07 0.00 0.00
391
+ ATOM 391 C PTH 1 71.13 73.43 36.07 0.00 0.00
392
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393
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data/files/A000O/pocket_03.pdb ADDED
@@ -0,0 +1,466 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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+ ATOM 172 C PTH 1 75.13 86.43 35.07 0.00 0.00
173
+ ATOM 173 C PTH 1 76.13 79.43 22.07 0.00 0.00
174
+ ATOM 174 C PTH 1 76.13 79.43 23.07 0.00 0.00
175
+ ATOM 175 C PTH 1 76.13 79.43 24.07 0.00 0.00
176
+ ATOM 176 C PTH 1 76.13 80.43 22.07 0.00 0.00
177
+ ATOM 177 C PTH 1 76.13 80.43 23.07 0.00 0.00
178
+ ATOM 178 C PTH 1 76.13 80.43 24.07 0.00 0.00
179
+ ATOM 179 C PTH 1 76.13 80.43 25.07 0.00 0.00
180
+ ATOM 180 C PTH 1 76.13 80.43 26.07 0.00 0.00
181
+ ATOM 181 C PTH 1 76.13 80.43 27.07 0.00 0.00
182
+ ATOM 182 C PTH 1 76.13 80.43 28.07 0.00 0.00
183
+ ATOM 183 C PTH 1 76.13 80.43 29.07 0.00 0.00
184
+ ATOM 184 C PTH 1 76.13 80.43 30.07 0.00 0.00
185
+ ATOM 185 C PTH 1 76.13 80.43 31.07 0.00 0.00
186
+ ATOM 186 C PTH 1 76.13 80.43 32.07 0.00 0.00
187
+ ATOM 187 C PTH 1 76.13 80.43 33.07 0.00 0.00
188
+ ATOM 188 C PTH 1 76.13 81.43 22.07 0.00 0.00
189
+ ATOM 189 C PTH 1 76.13 81.43 23.07 0.00 0.00
190
+ ATOM 190 C PTH 1 76.13 81.43 24.07 0.00 0.00
191
+ ATOM 191 C PTH 1 76.13 81.43 25.07 0.00 0.00
192
+ ATOM 192 C PTH 1 76.13 81.43 26.07 0.00 0.00
193
+ ATOM 193 C PTH 1 76.13 81.43 27.07 0.00 0.00
194
+ ATOM 194 C PTH 1 76.13 81.43 28.07 0.00 0.00
195
+ ATOM 195 C PTH 1 76.13 81.43 29.07 0.00 0.00
196
+ ATOM 196 C PTH 1 76.13 81.43 30.07 0.00 0.00
197
+ ATOM 197 C PTH 1 76.13 81.43 31.07 0.00 0.00
198
+ ATOM 198 C PTH 1 76.13 81.43 32.07 0.00 0.00
199
+ ATOM 199 C PTH 1 76.13 81.43 33.07 0.00 0.00
200
+ ATOM 200 C PTH 1 76.13 82.43 23.07 0.00 0.00
201
+ ATOM 201 C PTH 1 76.13 82.43 24.07 0.00 0.00
202
+ ATOM 202 C PTH 1 76.13 82.43 25.07 0.00 0.00
203
+ ATOM 203 C PTH 1 76.13 82.43 26.07 0.00 0.00
204
+ ATOM 204 C PTH 1 76.13 82.43 27.07 0.00 0.00
205
+ ATOM 205 C PTH 1 76.13 82.43 28.07 0.00 0.00
206
+ ATOM 206 C PTH 1 76.13 82.43 29.07 0.00 0.00
207
+ ATOM 207 C PTH 1 76.13 82.43 30.07 0.00 0.00
208
+ ATOM 208 C PTH 1 76.13 82.43 31.07 0.00 0.00
209
+ ATOM 209 C PTH 1 76.13 82.43 32.07 0.00 0.00
210
+ ATOM 210 C PTH 1 76.13 82.43 33.07 0.00 0.00
211
+ ATOM 211 C PTH 1 76.13 82.43 34.07 0.00 0.00
212
+ ATOM 212 C PTH 1 76.13 83.43 23.07 0.00 0.00
213
+ ATOM 213 C PTH 1 76.13 83.43 24.07 0.00 0.00
214
+ ATOM 214 C PTH 1 76.13 83.43 25.07 0.00 0.00
215
+ ATOM 215 C PTH 1 76.13 83.43 26.07 0.00 0.00
216
+ ATOM 216 C PTH 1 76.13 83.43 27.07 0.00 0.00
217
+ ATOM 217 C PTH 1 76.13 83.43 28.07 0.00 0.00
218
+ ATOM 218 C PTH 1 76.13 83.43 29.07 0.00 0.00
219
+ ATOM 219 C PTH 1 76.13 83.43 30.07 0.00 0.00
220
+ ATOM 220 C PTH 1 76.13 83.43 31.07 0.00 0.00
221
+ ATOM 221 C PTH 1 76.13 83.43 32.07 0.00 0.00
222
+ ATOM 222 C PTH 1 76.13 83.43 33.07 0.00 0.00
223
+ ATOM 223 C PTH 1 76.13 83.43 34.07 0.00 0.00
224
+ ATOM 224 C PTH 1 76.13 83.43 35.07 0.00 0.00
225
+ ATOM 225 C PTH 1 76.13 84.43 23.07 0.00 0.00
226
+ ATOM 226 C PTH 1 76.13 84.43 24.07 0.00 0.00
227
+ ATOM 227 C PTH 1 76.13 84.43 25.07 0.00 0.00
228
+ ATOM 228 C PTH 1 76.13 84.43 26.07 0.00 0.00
229
+ ATOM 229 C PTH 1 76.13 84.43 27.07 0.00 0.00
230
+ ATOM 230 C PTH 1 76.13 84.43 29.07 0.00 0.00
231
+ ATOM 231 C PTH 1 76.13 84.43 30.07 0.00 0.00
232
+ ATOM 232 C PTH 1 76.13 84.43 31.07 0.00 0.00
233
+ ATOM 233 C PTH 1 76.13 84.43 32.07 0.00 0.00
234
+ ATOM 234 C PTH 1 76.13 84.43 33.07 0.00 0.00
235
+ ATOM 235 C PTH 1 76.13 84.43 34.07 0.00 0.00
236
+ ATOM 236 C PTH 1 76.13 84.43 35.07 0.00 0.00
237
+ ATOM 237 C PTH 1 76.13 85.43 32.07 0.00 0.00
238
+ ATOM 238 C PTH 1 76.13 85.43 33.07 0.00 0.00
239
+ ATOM 239 C PTH 1 76.13 85.43 34.07 0.00 0.00
240
+ ATOM 240 C PTH 1 76.13 85.43 35.07 0.00 0.00
241
+ ATOM 241 C PTH 1 76.13 86.43 34.07 0.00 0.00
242
+ ATOM 242 C PTH 1 76.13 86.43 35.07 0.00 0.00
243
+ ATOM 243 C PTH 1 76.13 86.43 36.07 0.00 0.00
244
+ ATOM 244 C PTH 1 77.13 79.43 22.07 0.00 0.00
245
+ ATOM 245 C PTH 1 77.13 79.43 23.07 0.00 0.00
246
+ ATOM 246 C PTH 1 77.13 79.43 24.07 0.00 0.00
247
+ ATOM 247 C PTH 1 77.13 79.43 32.07 0.00 0.00
248
+ ATOM 248 C PTH 1 77.13 79.43 33.07 0.00 0.00
249
+ ATOM 249 C PTH 1 77.13 80.43 22.07 0.00 0.00
250
+ ATOM 250 C PTH 1 77.13 80.43 23.07 0.00 0.00
251
+ ATOM 251 C PTH 1 77.13 80.43 24.07 0.00 0.00
252
+ ATOM 252 C PTH 1 77.13 80.43 25.07 0.00 0.00
253
+ ATOM 253 C PTH 1 77.13 80.43 26.07 0.00 0.00
254
+ ATOM 254 C PTH 1 77.13 80.43 27.07 0.00 0.00
255
+ ATOM 255 C PTH 1 77.13 80.43 28.07 0.00 0.00
256
+ ATOM 256 C PTH 1 77.13 80.43 29.07 0.00 0.00
257
+ ATOM 257 C PTH 1 77.13 80.43 30.07 0.00 0.00
258
+ ATOM 258 C PTH 1 77.13 80.43 31.07 0.00 0.00
259
+ ATOM 259 C PTH 1 77.13 80.43 32.07 0.00 0.00
260
+ ATOM 260 C PTH 1 77.13 80.43 33.07 0.00 0.00
261
+ ATOM 261 C PTH 1 77.13 81.43 23.07 0.00 0.00
262
+ ATOM 262 C PTH 1 77.13 81.43 24.07 0.00 0.00
263
+ ATOM 263 C PTH 1 77.13 81.43 25.07 0.00 0.00
264
+ ATOM 264 C PTH 1 77.13 81.43 26.07 0.00 0.00
265
+ ATOM 265 C PTH 1 77.13 81.43 27.07 0.00 0.00
266
+ ATOM 266 C PTH 1 77.13 81.43 28.07 0.00 0.00
267
+ ATOM 267 C PTH 1 77.13 81.43 29.07 0.00 0.00
268
+ ATOM 268 C PTH 1 77.13 81.43 30.07 0.00 0.00
269
+ ATOM 269 C PTH 1 77.13 81.43 31.07 0.00 0.00
270
+ ATOM 270 C PTH 1 77.13 81.43 32.07 0.00 0.00
271
+ ATOM 271 C PTH 1 77.13 81.43 33.07 0.00 0.00
272
+ ATOM 272 C PTH 1 77.13 81.43 34.07 0.00 0.00
273
+ ATOM 273 C PTH 1 77.13 82.43 23.07 0.00 0.00
274
+ ATOM 274 C PTH 1 77.13 82.43 24.07 0.00 0.00
275
+ ATOM 275 C PTH 1 77.13 82.43 25.07 0.00 0.00
276
+ ATOM 276 C PTH 1 77.13 82.43 26.07 0.00 0.00
277
+ ATOM 277 C PTH 1 77.13 82.43 27.07 0.00 0.00
278
+ ATOM 278 C PTH 1 77.13 82.43 28.07 0.00 0.00
279
+ ATOM 279 C PTH 1 77.13 82.43 29.07 0.00 0.00
280
+ ATOM 280 C PTH 1 77.13 82.43 30.07 0.00 0.00
281
+ ATOM 281 C PTH 1 77.13 82.43 31.07 0.00 0.00
282
+ ATOM 282 C PTH 1 77.13 82.43 32.07 0.00 0.00
283
+ ATOM 283 C PTH 1 77.13 82.43 33.07 0.00 0.00
284
+ ATOM 284 C PTH 1 77.13 82.43 34.07 0.00 0.00
285
+ ATOM 285 C PTH 1 77.13 82.43 35.07 0.00 0.00
286
+ ATOM 286 C PTH 1 77.13 83.43 23.07 0.00 0.00
287
+ ATOM 287 C PTH 1 77.13 83.43 24.07 0.00 0.00
288
+ ATOM 288 C PTH 1 77.13 83.43 25.07 0.00 0.00
289
+ ATOM 289 C PTH 1 77.13 83.43 26.07 0.00 0.00
290
+ ATOM 290 C PTH 1 77.13 83.43 27.07 0.00 0.00
291
+ ATOM 291 C PTH 1 77.13 83.43 28.07 0.00 0.00
292
+ ATOM 292 C PTH 1 77.13 83.43 29.07 0.00 0.00
293
+ ATOM 293 C PTH 1 77.13 83.43 30.07 0.00 0.00
294
+ ATOM 294 C PTH 1 77.13 83.43 31.07 0.00 0.00
295
+ ATOM 295 C PTH 1 77.13 83.43 32.07 0.00 0.00
296
+ ATOM 296 C PTH 1 77.13 83.43 33.07 0.00 0.00
297
+ ATOM 297 C PTH 1 77.13 83.43 34.07 0.00 0.00
298
+ ATOM 298 C PTH 1 77.13 83.43 35.07 0.00 0.00
299
+ ATOM 299 C PTH 1 77.13 84.43 24.07 0.00 0.00
300
+ ATOM 300 C PTH 1 77.13 84.43 25.07 0.00 0.00
301
+ ATOM 301 C PTH 1 77.13 84.43 26.07 0.00 0.00
302
+ ATOM 302 C PTH 1 77.13 84.43 27.07 0.00 0.00
303
+ ATOM 303 C PTH 1 77.13 84.43 28.07 0.00 0.00
304
+ ATOM 304 C PTH 1 77.13 84.43 29.07 0.00 0.00
305
+ ATOM 305 C PTH 1 77.13 84.43 30.07 0.00 0.00
306
+ ATOM 306 C PTH 1 77.13 84.43 31.07 0.00 0.00
307
+ ATOM 307 C PTH 1 77.13 84.43 32.07 0.00 0.00
308
+ ATOM 308 C PTH 1 77.13 84.43 33.07 0.00 0.00
309
+ ATOM 309 C PTH 1 77.13 84.43 34.07 0.00 0.00
310
+ ATOM 310 C PTH 1 77.13 84.43 35.07 0.00 0.00
311
+ ATOM 311 C PTH 1 77.13 84.43 36.07 0.00 0.00
312
+ ATOM 312 C PTH 1 77.13 85.43 24.07 0.00 0.00
313
+ ATOM 313 C PTH 1 77.13 85.43 25.07 0.00 0.00
314
+ ATOM 314 C PTH 1 77.13 85.43 32.07 0.00 0.00
315
+ ATOM 315 C PTH 1 77.13 85.43 33.07 0.00 0.00
316
+ ATOM 316 C PTH 1 77.13 85.43 34.07 0.00 0.00
317
+ ATOM 317 C PTH 1 77.13 85.43 35.07 0.00 0.00
318
+ ATOM 318 C PTH 1 77.13 85.43 36.07 0.00 0.00
319
+ ATOM 319 C PTH 1 77.13 86.43 35.07 0.00 0.00
320
+ ATOM 320 C PTH 1 77.13 86.43 36.07 0.00 0.00
321
+ ATOM 321 C PTH 1 78.13 79.43 22.07 0.00 0.00
322
+ ATOM 322 C PTH 1 78.13 79.43 23.07 0.00 0.00
323
+ ATOM 323 C PTH 1 78.13 79.43 30.07 0.00 0.00
324
+ ATOM 324 C PTH 1 78.13 79.43 31.07 0.00 0.00
325
+ ATOM 325 C PTH 1 78.13 79.43 32.07 0.00 0.00
326
+ ATOM 326 C PTH 1 78.13 79.43 33.07 0.00 0.00
327
+ ATOM 327 C PTH 1 78.13 80.43 22.07 0.00 0.00
328
+ ATOM 328 C PTH 1 78.13 80.43 23.07 0.00 0.00
329
+ ATOM 329 C PTH 1 78.13 80.43 24.07 0.00 0.00
330
+ ATOM 330 C PTH 1 78.13 80.43 25.07 0.00 0.00
331
+ ATOM 331 C PTH 1 78.13 80.43 26.07 0.00 0.00
332
+ ATOM 332 C PTH 1 78.13 80.43 27.07 0.00 0.00
333
+ ATOM 333 C PTH 1 78.13 80.43 28.07 0.00 0.00
334
+ ATOM 334 C PTH 1 78.13 80.43 29.07 0.00 0.00
335
+ ATOM 335 C PTH 1 78.13 80.43 30.07 0.00 0.00
336
+ ATOM 336 C PTH 1 78.13 80.43 31.07 0.00 0.00
337
+ ATOM 337 C PTH 1 78.13 80.43 32.07 0.00 0.00
338
+ ATOM 338 C PTH 1 78.13 80.43 33.07 0.00 0.00
339
+ ATOM 339 C PTH 1 78.13 81.43 23.07 0.00 0.00
340
+ ATOM 340 C PTH 1 78.13 81.43 24.07 0.00 0.00
341
+ ATOM 341 C PTH 1 78.13 81.43 25.07 0.00 0.00
342
+ ATOM 342 C PTH 1 78.13 81.43 26.07 0.00 0.00
343
+ ATOM 343 C PTH 1 78.13 81.43 27.07 0.00 0.00
344
+ ATOM 344 C PTH 1 78.13 81.43 28.07 0.00 0.00
345
+ ATOM 345 C PTH 1 78.13 81.43 29.07 0.00 0.00
346
+ ATOM 346 C PTH 1 78.13 81.43 30.07 0.00 0.00
347
+ ATOM 347 C PTH 1 78.13 81.43 31.07 0.00 0.00
348
+ ATOM 348 C PTH 1 78.13 81.43 32.07 0.00 0.00
349
+ ATOM 349 C PTH 1 78.13 81.43 33.07 0.00 0.00
350
+ ATOM 350 C PTH 1 78.13 81.43 34.07 0.00 0.00
351
+ ATOM 351 C PTH 1 78.13 82.43 23.07 0.00 0.00
352
+ ATOM 352 C PTH 1 78.13 82.43 24.07 0.00 0.00
353
+ ATOM 353 C PTH 1 78.13 82.43 25.07 0.00 0.00
354
+ ATOM 354 C PTH 1 78.13 82.43 26.07 0.00 0.00
355
+ ATOM 355 C PTH 1 78.13 82.43 27.07 0.00 0.00
356
+ ATOM 356 C PTH 1 78.13 82.43 28.07 0.00 0.00
357
+ ATOM 357 C PTH 1 78.13 82.43 29.07 0.00 0.00
358
+ ATOM 358 C PTH 1 78.13 82.43 30.07 0.00 0.00
359
+ ATOM 359 C PTH 1 78.13 82.43 31.07 0.00 0.00
360
+ ATOM 360 C PTH 1 78.13 82.43 32.07 0.00 0.00
361
+ ATOM 361 C PTH 1 78.13 82.43 33.07 0.00 0.00
362
+ ATOM 362 C PTH 1 78.13 82.43 34.07 0.00 0.00
363
+ ATOM 363 C PTH 1 78.13 83.43 24.07 0.00 0.00
364
+ ATOM 364 C PTH 1 78.13 83.43 25.07 0.00 0.00
365
+ ATOM 365 C PTH 1 78.13 83.43 26.07 0.00 0.00
366
+ ATOM 366 C PTH 1 78.13 83.43 27.07 0.00 0.00
367
+ ATOM 367 C PTH 1 78.13 83.43 28.07 0.00 0.00
368
+ ATOM 368 C PTH 1 78.13 83.43 29.07 0.00 0.00
369
+ ATOM 369 C PTH 1 78.13 83.43 30.07 0.00 0.00
370
+ ATOM 370 C PTH 1 78.13 83.43 31.07 0.00 0.00
371
+ ATOM 371 C PTH 1 78.13 83.43 32.07 0.00 0.00
372
+ ATOM 372 C PTH 1 78.13 83.43 33.07 0.00 0.00
373
+ ATOM 373 C PTH 1 78.13 83.43 34.07 0.00 0.00
374
+ ATOM 374 C PTH 1 78.13 83.43 35.07 0.00 0.00
375
+ ATOM 375 C PTH 1 78.13 84.43 24.07 0.00 0.00
376
+ ATOM 376 C PTH 1 78.13 84.43 25.07 0.00 0.00
377
+ ATOM 377 C PTH 1 78.13 84.43 26.07 0.00 0.00
378
+ ATOM 378 C PTH 1 78.13 84.43 27.07 0.00 0.00
379
+ ATOM 379 C PTH 1 78.13 84.43 29.07 0.00 0.00
380
+ ATOM 380 C PTH 1 78.13 84.43 30.07 0.00 0.00
381
+ ATOM 381 C PTH 1 78.13 84.43 31.07 0.00 0.00
382
+ ATOM 382 C PTH 1 78.13 84.43 32.07 0.00 0.00
383
+ ATOM 383 C PTH 1 78.13 84.43 33.07 0.00 0.00
384
+ ATOM 384 C PTH 1 78.13 84.43 34.07 0.00 0.00
385
+ ATOM 385 C PTH 1 78.13 84.43 35.07 0.00 0.00
386
+ ATOM 386 C PTH 1 78.13 85.43 25.07 0.00 0.00
387
+ ATOM 387 C PTH 1 78.13 85.43 32.07 0.00 0.00
388
+ ATOM 388 C PTH 1 78.13 85.43 33.07 0.00 0.00
389
+ ATOM 389 C PTH 1 78.13 85.43 34.07 0.00 0.00
390
+ ATOM 390 C PTH 1 78.13 85.43 35.07 0.00 0.00
391
+ ATOM 391 C PTH 1 78.13 86.43 36.07 0.00 0.00
392
+ ATOM 392 C PTH 1 79.13 79.43 29.07 0.00 0.00
393
+ ATOM 393 C PTH 1 79.13 79.43 30.07 0.00 0.00
394
+ ATOM 394 C PTH 1 79.13 79.43 31.07 0.00 0.00
395
+ ATOM 395 C PTH 1 79.13 79.43 32.07 0.00 0.00
396
+ ATOM 396 C PTH 1 79.13 79.43 33.07 0.00 0.00
397
+ ATOM 397 C PTH 1 79.13 80.43 28.07 0.00 0.00
398
+ ATOM 398 C PTH 1 79.13 80.43 29.07 0.00 0.00
399
+ ATOM 399 C PTH 1 79.13 80.43 30.07 0.00 0.00
400
+ ATOM 400 C PTH 1 79.13 80.43 31.07 0.00 0.00
401
+ ATOM 401 C PTH 1 79.13 80.43 32.07 0.00 0.00
402
+ ATOM 402 C PTH 1 79.13 80.43 33.07 0.00 0.00
403
+ ATOM 403 C PTH 1 79.13 81.43 24.07 0.00 0.00
404
+ ATOM 404 C PTH 1 79.13 81.43 25.07 0.00 0.00
405
+ ATOM 405 C PTH 1 79.13 81.43 26.07 0.00 0.00
406
+ ATOM 406 C PTH 1 79.13 81.43 29.07 0.00 0.00
407
+ ATOM 407 C PTH 1 79.13 81.43 30.07 0.00 0.00
408
+ ATOM 408 C PTH 1 79.13 81.43 31.07 0.00 0.00
409
+ ATOM 409 C PTH 1 79.13 81.43 32.07 0.00 0.00
410
+ ATOM 410 C PTH 1 79.13 81.43 33.07 0.00 0.00
411
+ ATOM 411 C PTH 1 79.13 82.43 24.07 0.00 0.00
412
+ ATOM 412 C PTH 1 79.13 82.43 25.07 0.00 0.00
413
+ ATOM 413 C PTH 1 79.13 82.43 26.07 0.00 0.00
414
+ ATOM 414 C PTH 1 79.13 82.43 29.07 0.00 0.00
415
+ ATOM 415 C PTH 1 79.13 82.43 30.07 0.00 0.00
416
+ ATOM 416 C PTH 1 79.13 82.43 31.07 0.00 0.00
417
+ ATOM 417 C PTH 1 79.13 82.43 32.07 0.00 0.00
418
+ ATOM 418 C PTH 1 79.13 82.43 33.07 0.00 0.00
419
+ ATOM 419 C PTH 1 79.13 82.43 34.07 0.00 0.00
420
+ ATOM 420 C PTH 1 79.13 83.43 24.07 0.00 0.00
421
+ ATOM 421 C PTH 1 79.13 83.43 25.07 0.00 0.00
422
+ ATOM 422 C PTH 1 79.13 83.43 26.07 0.00 0.00
423
+ ATOM 423 C PTH 1 79.13 83.43 29.07 0.00 0.00
424
+ ATOM 424 C PTH 1 79.13 83.43 30.07 0.00 0.00
425
+ ATOM 425 C PTH 1 79.13 83.43 31.07 0.00 0.00
426
+ ATOM 426 C PTH 1 79.13 83.43 32.07 0.00 0.00
427
+ ATOM 427 C PTH 1 79.13 83.43 33.07 0.00 0.00
428
+ ATOM 428 C PTH 1 79.13 83.43 34.07 0.00 0.00
429
+ ATOM 429 C PTH 1 79.13 84.43 30.07 0.00 0.00
430
+ ATOM 430 C PTH 1 79.13 84.43 31.07 0.00 0.00
431
+ ATOM 431 C PTH 1 79.13 84.43 32.07 0.00 0.00
432
+ ATOM 432 C PTH 1 79.13 84.43 33.07 0.00 0.00
433
+ ATOM 433 C PTH 1 79.13 84.43 34.07 0.00 0.00
434
+ ATOM 434 C PTH 1 80.13 79.43 29.07 0.00 0.00
435
+ ATOM 435 C PTH 1 80.13 79.43 30.07 0.00 0.00
436
+ ATOM 436 C PTH 1 80.13 79.43 31.07 0.00 0.00
437
+ ATOM 437 C PTH 1 80.13 79.43 32.07 0.00 0.00
438
+ ATOM 438 C PTH 1 80.13 79.43 33.07 0.00 0.00
439
+ ATOM 439 C PTH 1 80.13 80.43 29.07 0.00 0.00
440
+ ATOM 440 C PTH 1 80.13 80.43 30.07 0.00 0.00
441
+ ATOM 441 C PTH 1 80.13 80.43 31.07 0.00 0.00
442
+ ATOM 442 C PTH 1 80.13 80.43 32.07 0.00 0.00
443
+ ATOM 443 C PTH 1 80.13 80.43 33.07 0.00 0.00
444
+ ATOM 444 C PTH 1 80.13 81.43 30.07 0.00 0.00
445
+ ATOM 445 C PTH 1 80.13 81.43 31.07 0.00 0.00
446
+ ATOM 446 C PTH 1 80.13 81.43 32.07 0.00 0.00
447
+ ATOM 447 C PTH 1 80.13 81.43 33.07 0.00 0.00
448
+ ATOM 448 C PTH 1 80.13 82.43 30.07 0.00 0.00
449
+ ATOM 449 C PTH 1 80.13 82.43 31.07 0.00 0.00
450
+ ATOM 450 C PTH 1 80.13 82.43 32.07 0.00 0.00
451
+ ATOM 451 C PTH 1 80.13 82.43 33.07 0.00 0.00
452
+ ATOM 452 C PTH 1 80.13 83.43 31.07 0.00 0.00
453
+ ATOM 453 C PTH 1 80.13 83.43 32.07 0.00 0.00
454
+ ATOM 454 C PTH 1 81.13 79.43 30.07 0.00 0.00
455
+ ATOM 455 C PTH 1 81.13 79.43 31.07 0.00 0.00
456
+ ATOM 456 C PTH 1 81.13 79.43 32.07 0.00 0.00
457
+ ATOM 457 C PTH 1 81.13 79.43 33.07 0.00 0.00
458
+ ATOM 458 C PTH 1 81.13 80.43 30.07 0.00 0.00
459
+ ATOM 459 C PTH 1 81.13 80.43 31.07 0.00 0.00
460
+ ATOM 460 C PTH 1 81.13 80.43 32.07 0.00 0.00
461
+ ATOM 461 C PTH 1 81.13 80.43 33.07 0.00 0.00
462
+ ATOM 462 C PTH 1 81.13 81.43 30.07 0.00 0.00
463
+ ATOM 463 C PTH 1 81.13 81.43 31.07 0.00 0.00
464
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data/files/A000O/pocket_04.pdb ADDED
@@ -0,0 +1,239 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A000O/pocket_05.pdb ADDED
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1
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data/files/A000O/pocket_06.pdb ADDED
@@ -0,0 +1,129 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A000O/pocket_07.pdb ADDED
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data/files/A000O/pocket_08.pdb ADDED
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data/files/A000O/pocket_09.pdb ADDED
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data/files/A000O/pocket_10.pdb ADDED
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172
+ ATOM 172 C PTH 1 73.81 50.2 24.04 0.00 0.00
173
+ ATOM 173 C PTH 1 73.81 50.2 25.04 0.00 0.00
174
+ ATOM 174 C PTH 1 73.81 50.2 26.04 0.00 0.00
175
+ ATOM 175 C PTH 1 73.81 51.2 23.04 0.00 0.00
176
+ ATOM 176 C PTH 1 73.81 51.2 24.04 0.00 0.00
177
+ ATOM 177 C PTH 1 73.81 51.2 25.04 0.00 0.00
178
+ ATOM 178 C PTH 1 73.81 51.2 26.04 0.00 0.00
179
+ ATOM 179 C PTH 1 73.81 52.2 23.04 0.00 0.00
180
+ ATOM 180 C PTH 1 73.81 52.2 24.04 0.00 0.00
181
+ ATOM 181 C PTH 1 73.81 52.2 25.04 0.00 0.00
182
+ ATOM 182 C PTH 1 73.81 52.2 26.04 0.00 0.00
183
+ ATOM 183 C PTH 1 73.81 56.2 25.04 0.00 0.00
184
+ ATOM 184 C PTH 1 73.81 56.2 26.04 0.00 0.00
185
+ ATOM 185 C PTH 1 73.81 57.2 25.04 0.00 0.00
186
+ ATOM 186 C PTH 1 73.81 57.2 26.04 0.00 0.00
187
+ ATOM 187 C PTH 1 73.81 57.2 27.04 0.00 0.00
188
+ ATOM 188 C PTH 1 73.81 58.2 25.04 0.00 0.00
189
+ ATOM 189 C PTH 1 73.81 58.2 26.04 0.00 0.00
190
+ ATOM 190 C PTH 1 74.81 48.2 25.04 0.00 0.00
191
+ ATOM 191 C PTH 1 74.81 49.2 23.04 0.00 0.00
192
+ ATOM 192 C PTH 1 74.81 49.2 24.04 0.00 0.00
193
+ ATOM 193 C PTH 1 74.81 49.2 25.04 0.00 0.00
194
+ ATOM 194 C PTH 1 74.81 49.2 26.04 0.00 0.00
195
+ ATOM 195 C PTH 1 74.81 50.2 23.04 0.00 0.00
196
+ ATOM 196 C PTH 1 74.81 50.2 24.04 0.00 0.00
197
+ ATOM 197 C PTH 1 74.81 50.2 25.04 0.00 0.00
198
+ ATOM 198 C PTH 1 74.81 50.2 26.04 0.00 0.00
199
+ ATOM 199 C PTH 1 74.81 51.2 23.04 0.00 0.00
200
+ ATOM 200 C PTH 1 74.81 51.2 24.04 0.00 0.00
201
+ ATOM 201 C PTH 1 74.81 51.2 25.04 0.00 0.00
202
+ ATOM 202 C PTH 1 74.81 51.2 26.04 0.00 0.00