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Dyna_Repo_Inria_MDPosit_Files

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Token Classification
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Formats:
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Size:
10K<n<100K
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chemistry
biology
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Synthetic
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  1. data/files/A000G/pocket_01.pdb +280 -0
  2. data/files/A000G/pocket_02.pdb +227 -0
  3. data/files/A000G/pocket_03.pdb +212 -0
  4. data/files/A000G/pocket_05.pdb +171 -0
  5. data/files/A000G/pocket_07.pdb +168 -0
  6. data/files/A000G/pocket_08.pdb +162 -0
  7. data/files/A000G/pocket_09.pdb +162 -0
  8. data/files/A000G/pocket_10.pdb +149 -0
  9. data/files/A000G/structure.pdb +0 -0
  10. data/files/A000W/pocket_05.pdb +180 -0
  11. data/files/A0019/pocket_05.pdb +93 -0
  12. data/files/A0019/pocket_06.pdb +51 -0
  13. data/files/A0019/pocket_07.pdb +46 -0
  14. data/files/A0019/structure.pdb +0 -0
  15. data/files/A001C/pocket_07.pdb +66 -0
  16. data/files/A003I/pocket_02.pdb +191 -0
  17. data/files/A003I/pocket_03.pdb +173 -0
  18. data/files/A003I/pocket_04.pdb +166 -0
  19. data/files/A003I/pocket_06.pdb +125 -0
  20. data/files/A003I/pocket_08.pdb +76 -0
  21. data/files/A003I/pocket_09.pdb +70 -0
  22. data/files/A003I/pocket_10.pdb +68 -0
  23. data/files/A003I/structure.pdb +0 -0
  24. data/files/A0042/pocket_01.pdb +309 -0
  25. data/files/A0042/pocket_03.pdb +205 -0
  26. data/files/A0042/pocket_04.pdb +79 -0
  27. data/files/A0042/structure.pdb +0 -0
  28. data/files/A005X/pocket_07.pdb +90 -0
  29. data/files/A0076/pocket_02.pdb +290 -0
  30. data/files/A0076/pocket_03.pdb +271 -0
  31. data/files/A0076/pocket_05.pdb +251 -0
  32. data/files/A0076/pocket_06.pdb +221 -0
  33. data/files/A0076/pocket_09.pdb +153 -0
  34. data/files/A0076/pocket_10.pdb +132 -0
  35. data/files/A0076/structure.pdb +0 -0
  36. data/files/A007B/pocket_01.pdb +97 -0
  37. data/files/A007B/pocket_03.pdb +58 -0
  38. data/files/A007L/pocket_02.pdb +134 -0
  39. data/files/A007L/pocket_03.pdb +131 -0
  40. data/files/A007L/pocket_04.pdb +106 -0
  41. data/files/A007L/pocket_05.pdb +65 -0
  42. data/files/A007L/pocket_06.pdb +45 -0
  43. data/files/A007L/structure.pdb +0 -0
  44. data/files/A007W/pocket_01.pdb +503 -0
  45. data/files/A007W/pocket_03.pdb +195 -0
  46. data/files/A007W/pocket_06.pdb +138 -0
  47. data/files/A007W/pocket_08.pdb +112 -0
  48. data/files/A007W/pocket_09.pdb +101 -0
  49. data/files/A007W/pocket_10.pdb +70 -0
  50. data/files/A007W/structure.pdb +0 -0
data/files/A000G/pocket_01.pdb ADDED
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+ ATOM 234 C PTH 1 76.56 65.36 25.34 0.00 0.00
235
+ ATOM 235 C PTH 1 76.56 65.36 26.34 0.00 0.00
236
+ ATOM 236 C PTH 1 76.56 66.36 22.34 0.00 0.00
237
+ ATOM 237 C PTH 1 76.56 66.36 23.34 0.00 0.00
238
+ ATOM 238 C PTH 1 76.56 66.36 24.34 0.00 0.00
239
+ ATOM 239 C PTH 1 76.56 66.36 25.34 0.00 0.00
240
+ ATOM 240 C PTH 1 76.56 66.36 26.34 0.00 0.00
241
+ ATOM 241 C PTH 1 76.56 67.36 23.34 0.00 0.00
242
+ ATOM 242 C PTH 1 77.56 64.36 23.34 0.00 0.00
243
+ ATOM 243 C PTH 1 77.56 64.36 24.34 0.00 0.00
244
+ ATOM 244 C PTH 1 77.56 64.36 25.34 0.00 0.00
245
+ ATOM 245 C PTH 1 77.56 64.36 26.34 0.00 0.00
246
+ ATOM 246 C PTH 1 77.56 64.36 27.34 0.00 0.00
247
+ ATOM 247 C PTH 1 77.56 65.36 22.34 0.00 0.00
248
+ ATOM 248 C PTH 1 77.56 65.36 23.34 0.00 0.00
249
+ ATOM 249 C PTH 1 77.56 65.36 24.34 0.00 0.00
250
+ ATOM 250 C PTH 1 77.56 65.36 25.34 0.00 0.00
251
+ ATOM 251 C PTH 1 77.56 65.36 26.34 0.00 0.00
252
+ ATOM 252 C PTH 1 77.56 65.36 27.34 0.00 0.00
253
+ ATOM 253 C PTH 1 77.56 66.36 23.34 0.00 0.00
254
+ ATOM 254 C PTH 1 77.56 66.36 24.34 0.00 0.00
255
+ ATOM 255 C PTH 1 77.56 66.36 25.34 0.00 0.00
256
+ ATOM 256 C PTH 1 77.56 66.36 26.34 0.00 0.00
257
+ ATOM 257 C PTH 1 77.56 66.36 27.34 0.00 0.00
258
+ ATOM 258 C PTH 1 78.56 63.36 26.34 0.00 0.00
259
+ ATOM 259 C PTH 1 78.56 63.36 27.34 0.00 0.00
260
+ ATOM 260 C PTH 1 78.56 64.36 24.34 0.00 0.00
261
+ ATOM 261 C PTH 1 78.56 64.36 25.34 0.00 0.00
262
+ ATOM 262 C PTH 1 78.56 64.36 26.34 0.00 0.00
263
+ ATOM 263 C PTH 1 78.56 64.36 27.34 0.00 0.00
264
+ ATOM 264 C PTH 1 78.56 65.36 24.34 0.00 0.00
265
+ ATOM 265 C PTH 1 78.56 65.36 25.34 0.00 0.00
266
+ ATOM 266 C PTH 1 78.56 65.36 26.34 0.00 0.00
267
+ ATOM 267 C PTH 1 78.56 65.36 27.34 0.00 0.00
268
+ ATOM 268 C PTH 1 78.56 66.36 24.34 0.00 0.00
269
+ ATOM 269 C PTH 1 78.56 66.36 25.34 0.00 0.00
270
+ ATOM 270 C PTH 1 78.56 66.36 26.34 0.00 0.00
271
+ ATOM 271 C PTH 1 78.56 66.36 27.34 0.00 0.00
272
+ ATOM 272 C PTH 1 79.56 63.36 26.34 0.00 0.00
273
+ ATOM 273 C PTH 1 79.56 63.36 27.34 0.00 0.00
274
+ ATOM 274 C PTH 1 79.56 64.36 24.34 0.00 0.00
275
+ ATOM 275 C PTH 1 79.56 64.36 25.34 0.00 0.00
276
+ ATOM 276 C PTH 1 79.56 64.36 26.34 0.00 0.00
277
+ ATOM 277 C PTH 1 79.56 64.36 27.34 0.00 0.00
278
+ ATOM 278 C PTH 1 79.56 65.36 25.34 0.00 0.00
279
+ ATOM 279 C PTH 1 79.56 65.36 26.34 0.00 0.00
280
+ ATOM 280 C PTH 1 79.56 65.36 27.34 0.00 0.00
data/files/A000G/pocket_02.pdb ADDED
@@ -0,0 +1,227 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 75.56 54.36 37.34 0.00 0.00
2
+ ATOM 2 C PTH 1 75.56 54.36 38.34 0.00 0.00
3
+ ATOM 3 C PTH 1 75.56 54.36 39.34 0.00 0.00
4
+ ATOM 4 C PTH 1 76.56 54.36 37.34 0.00 0.00
5
+ ATOM 5 C PTH 1 76.56 54.36 38.34 0.00 0.00
6
+ ATOM 6 C PTH 1 76.56 54.36 39.34 0.00 0.00
7
+ ATOM 7 C PTH 1 76.56 55.36 36.34 0.00 0.00
8
+ ATOM 8 C PTH 1 76.56 55.36 37.34 0.00 0.00
9
+ ATOM 9 C PTH 1 76.56 55.36 38.34 0.00 0.00
10
+ ATOM 10 C PTH 1 76.56 55.36 39.34 0.00 0.00
11
+ ATOM 11 C PTH 1 76.56 56.36 36.34 0.00 0.00
12
+ ATOM 12 C PTH 1 76.56 56.36 37.34 0.00 0.00
13
+ ATOM 13 C PTH 1 76.56 56.36 38.34 0.00 0.00
14
+ ATOM 14 C PTH 1 76.56 57.36 36.34 0.00 0.00
15
+ ATOM 15 C PTH 1 76.56 57.36 37.34 0.00 0.00
16
+ ATOM 16 C PTH 1 76.56 57.36 38.34 0.00 0.00
17
+ ATOM 17 C PTH 1 76.56 58.36 36.34 0.00 0.00
18
+ ATOM 18 C PTH 1 76.56 58.36 37.34 0.00 0.00
19
+ ATOM 19 C PTH 1 76.56 58.36 38.34 0.00 0.00
20
+ ATOM 20 C PTH 1 76.56 59.36 36.34 0.00 0.00
21
+ ATOM 21 C PTH 1 76.56 59.36 37.34 0.00 0.00
22
+ ATOM 22 C PTH 1 76.56 59.36 38.34 0.00 0.00
23
+ ATOM 23 C PTH 1 76.56 60.36 37.34 0.00 0.00
24
+ ATOM 24 C PTH 1 76.56 60.36 38.34 0.00 0.00
25
+ ATOM 25 C PTH 1 77.56 54.36 37.34 0.00 0.00
26
+ ATOM 26 C PTH 1 77.56 54.36 38.34 0.00 0.00
27
+ ATOM 27 C PTH 1 77.56 54.36 39.34 0.00 0.00
28
+ ATOM 28 C PTH 1 77.56 55.36 36.34 0.00 0.00
29
+ ATOM 29 C PTH 1 77.56 55.36 37.34 0.00 0.00
30
+ ATOM 30 C PTH 1 77.56 55.36 38.34 0.00 0.00
31
+ ATOM 31 C PTH 1 77.56 55.36 39.34 0.00 0.00
32
+ ATOM 32 C PTH 1 77.56 56.36 36.34 0.00 0.00
33
+ ATOM 33 C PTH 1 77.56 56.36 37.34 0.00 0.00
34
+ ATOM 34 C PTH 1 77.56 56.36 38.34 0.00 0.00
35
+ ATOM 35 C PTH 1 77.56 56.36 39.34 0.00 0.00
36
+ ATOM 36 C PTH 1 77.56 57.36 35.34 0.00 0.00
37
+ ATOM 37 C PTH 1 77.56 57.36 36.34 0.00 0.00
38
+ ATOM 38 C PTH 1 77.56 57.36 37.34 0.00 0.00
39
+ ATOM 39 C PTH 1 77.56 57.36 38.34 0.00 0.00
40
+ ATOM 40 C PTH 1 77.56 57.36 39.34 0.00 0.00
41
+ ATOM 41 C PTH 1 77.56 58.36 35.34 0.00 0.00
42
+ ATOM 42 C PTH 1 77.56 58.36 36.34 0.00 0.00
43
+ ATOM 43 C PTH 1 77.56 58.36 37.34 0.00 0.00
44
+ ATOM 44 C PTH 1 77.56 58.36 38.34 0.00 0.00
45
+ ATOM 45 C PTH 1 77.56 58.36 39.34 0.00 0.00
46
+ ATOM 46 C PTH 1 77.56 59.36 35.34 0.00 0.00
47
+ ATOM 47 C PTH 1 77.56 59.36 36.34 0.00 0.00
48
+ ATOM 48 C PTH 1 77.56 59.36 37.34 0.00 0.00
49
+ ATOM 49 C PTH 1 77.56 59.36 38.34 0.00 0.00
50
+ ATOM 50 C PTH 1 77.56 59.36 39.34 0.00 0.00
51
+ ATOM 51 C PTH 1 77.56 60.36 35.34 0.00 0.00
52
+ ATOM 52 C PTH 1 77.56 60.36 36.34 0.00 0.00
53
+ ATOM 53 C PTH 1 77.56 60.36 37.34 0.00 0.00
54
+ ATOM 54 C PTH 1 77.56 60.36 38.34 0.00 0.00
55
+ ATOM 55 C PTH 1 77.56 60.36 39.34 0.00 0.00
56
+ ATOM 56 C PTH 1 77.56 61.36 36.34 0.00 0.00
57
+ ATOM 57 C PTH 1 77.56 61.36 37.34 0.00 0.00
58
+ ATOM 58 C PTH 1 78.56 55.36 36.34 0.00 0.00
59
+ ATOM 59 C PTH 1 78.56 55.36 37.34 0.00 0.00
60
+ ATOM 60 C PTH 1 78.56 55.36 38.34 0.00 0.00
61
+ ATOM 61 C PTH 1 78.56 56.36 36.34 0.00 0.00
62
+ ATOM 62 C PTH 1 78.56 56.36 37.34 0.00 0.00
63
+ ATOM 63 C PTH 1 78.56 56.36 38.34 0.00 0.00
64
+ ATOM 64 C PTH 1 78.56 56.36 39.34 0.00 0.00
65
+ ATOM 65 C PTH 1 78.56 57.36 32.34 0.00 0.00
66
+ ATOM 66 C PTH 1 78.56 57.36 33.34 0.00 0.00
67
+ ATOM 67 C PTH 1 78.56 57.36 34.34 0.00 0.00
68
+ ATOM 68 C PTH 1 78.56 57.36 35.34 0.00 0.00
69
+ ATOM 69 C PTH 1 78.56 57.36 36.34 0.00 0.00
70
+ ATOM 70 C PTH 1 78.56 57.36 37.34 0.00 0.00
71
+ ATOM 71 C PTH 1 78.56 57.36 38.34 0.00 0.00
72
+ ATOM 72 C PTH 1 78.56 57.36 39.34 0.00 0.00
73
+ ATOM 73 C PTH 1 78.56 58.36 31.34 0.00 0.00
74
+ ATOM 74 C PTH 1 78.56 58.36 32.34 0.00 0.00
75
+ ATOM 75 C PTH 1 78.56 58.36 33.34 0.00 0.00
76
+ ATOM 76 C PTH 1 78.56 58.36 34.34 0.00 0.00
77
+ ATOM 77 C PTH 1 78.56 58.36 35.34 0.00 0.00
78
+ ATOM 78 C PTH 1 78.56 58.36 36.34 0.00 0.00
79
+ ATOM 79 C PTH 1 78.56 58.36 37.34 0.00 0.00
80
+ ATOM 80 C PTH 1 78.56 58.36 38.34 0.00 0.00
81
+ ATOM 81 C PTH 1 78.56 58.36 39.34 0.00 0.00
82
+ ATOM 82 C PTH 1 78.56 59.36 31.34 0.00 0.00
83
+ ATOM 83 C PTH 1 78.56 59.36 32.34 0.00 0.00
84
+ ATOM 84 C PTH 1 78.56 59.36 33.34 0.00 0.00
85
+ ATOM 85 C PTH 1 78.56 59.36 34.34 0.00 0.00
86
+ ATOM 86 C PTH 1 78.56 59.36 35.34 0.00 0.00
87
+ ATOM 87 C PTH 1 78.56 59.36 36.34 0.00 0.00
88
+ ATOM 88 C PTH 1 78.56 59.36 37.34 0.00 0.00
89
+ ATOM 89 C PTH 1 78.56 59.36 38.34 0.00 0.00
90
+ ATOM 90 C PTH 1 78.56 59.36 39.34 0.00 0.00
91
+ ATOM 91 C PTH 1 78.56 60.36 31.34 0.00 0.00
92
+ ATOM 92 C PTH 1 78.56 60.36 32.34 0.00 0.00
93
+ ATOM 93 C PTH 1 78.56 60.36 33.34 0.00 0.00
94
+ ATOM 94 C PTH 1 78.56 60.36 34.34 0.00 0.00
95
+ ATOM 95 C PTH 1 78.56 60.36 35.34 0.00 0.00
96
+ ATOM 96 C PTH 1 78.56 60.36 36.34 0.00 0.00
97
+ ATOM 97 C PTH 1 78.56 60.36 37.34 0.00 0.00
98
+ ATOM 98 C PTH 1 78.56 60.36 38.34 0.00 0.00
99
+ ATOM 99 C PTH 1 78.56 60.36 39.34 0.00 0.00
100
+ ATOM 100 C PTH 1 78.56 61.36 31.34 0.00 0.00
101
+ ATOM 101 C PTH 1 78.56 61.36 32.34 0.00 0.00
102
+ ATOM 102 C PTH 1 78.56 61.36 35.34 0.00 0.00
103
+ ATOM 103 C PTH 1 78.56 61.36 36.34 0.00 0.00
104
+ ATOM 104 C PTH 1 78.56 61.36 37.34 0.00 0.00
105
+ ATOM 105 C PTH 1 78.56 61.36 38.34 0.00 0.00
106
+ ATOM 106 C PTH 1 79.56 56.36 36.34 0.00 0.00
107
+ ATOM 107 C PTH 1 79.56 56.36 37.34 0.00 0.00
108
+ ATOM 108 C PTH 1 79.56 57.36 33.34 0.00 0.00
109
+ ATOM 109 C PTH 1 79.56 57.36 34.34 0.00 0.00
110
+ ATOM 110 C PTH 1 79.56 57.36 35.34 0.00 0.00
111
+ ATOM 111 C PTH 1 79.56 57.36 36.34 0.00 0.00
112
+ ATOM 112 C PTH 1 79.56 57.36 37.34 0.00 0.00
113
+ ATOM 113 C PTH 1 79.56 57.36 38.34 0.00 0.00
114
+ ATOM 114 C PTH 1 79.56 57.36 39.34 0.00 0.00
115
+ ATOM 115 C PTH 1 79.56 58.36 31.34 0.00 0.00
116
+ ATOM 116 C PTH 1 79.56 58.36 32.34 0.00 0.00
117
+ ATOM 117 C PTH 1 79.56 58.36 33.34 0.00 0.00
118
+ ATOM 118 C PTH 1 79.56 58.36 34.34 0.00 0.00
119
+ ATOM 119 C PTH 1 79.56 58.36 35.34 0.00 0.00
120
+ ATOM 120 C PTH 1 79.56 58.36 36.34 0.00 0.00
121
+ ATOM 121 C PTH 1 79.56 58.36 37.34 0.00 0.00
122
+ ATOM 122 C PTH 1 79.56 58.36 38.34 0.00 0.00
123
+ ATOM 123 C PTH 1 79.56 58.36 39.34 0.00 0.00
124
+ ATOM 124 C PTH 1 79.56 59.36 31.34 0.00 0.00
125
+ ATOM 125 C PTH 1 79.56 59.36 32.34 0.00 0.00
126
+ ATOM 126 C PTH 1 79.56 59.36 33.34 0.00 0.00
127
+ ATOM 127 C PTH 1 79.56 59.36 34.34 0.00 0.00
128
+ ATOM 128 C PTH 1 79.56 59.36 35.34 0.00 0.00
129
+ ATOM 129 C PTH 1 79.56 59.36 36.34 0.00 0.00
130
+ ATOM 130 C PTH 1 79.56 59.36 37.34 0.00 0.00
131
+ ATOM 131 C PTH 1 79.56 59.36 38.34 0.00 0.00
132
+ ATOM 132 C PTH 1 79.56 59.36 39.34 0.00 0.00
133
+ ATOM 133 C PTH 1 79.56 60.36 31.34 0.00 0.00
134
+ ATOM 134 C PTH 1 79.56 60.36 32.34 0.00 0.00
135
+ ATOM 135 C PTH 1 79.56 60.36 33.34 0.00 0.00
136
+ ATOM 136 C PTH 1 79.56 60.36 34.34 0.00 0.00
137
+ ATOM 137 C PTH 1 79.56 60.36 35.34 0.00 0.00
138
+ ATOM 138 C PTH 1 79.56 60.36 36.34 0.00 0.00
139
+ ATOM 139 C PTH 1 79.56 60.36 37.34 0.00 0.00
140
+ ATOM 140 C PTH 1 79.56 60.36 38.34 0.00 0.00
141
+ ATOM 141 C PTH 1 79.56 60.36 39.34 0.00 0.00
142
+ ATOM 142 C PTH 1 79.56 61.36 31.34 0.00 0.00
143
+ ATOM 143 C PTH 1 79.56 61.36 32.34 0.00 0.00
144
+ ATOM 144 C PTH 1 79.56 61.36 33.34 0.00 0.00
145
+ ATOM 145 C PTH 1 79.56 61.36 34.34 0.00 0.00
146
+ ATOM 146 C PTH 1 79.56 61.36 35.34 0.00 0.00
147
+ ATOM 147 C PTH 1 79.56 61.36 36.34 0.00 0.00
148
+ ATOM 148 C PTH 1 79.56 61.36 37.34 0.00 0.00
149
+ ATOM 149 C PTH 1 79.56 61.36 38.34 0.00 0.00
150
+ ATOM 150 C PTH 1 79.56 61.36 39.34 0.00 0.00
151
+ ATOM 151 C PTH 1 80.56 57.36 35.34 0.00 0.00
152
+ ATOM 152 C PTH 1 80.56 57.36 36.34 0.00 0.00
153
+ ATOM 153 C PTH 1 80.56 57.36 37.34 0.00 0.00
154
+ ATOM 154 C PTH 1 80.56 58.36 32.34 0.00 0.00
155
+ ATOM 155 C PTH 1 80.56 58.36 33.34 0.00 0.00
156
+ ATOM 156 C PTH 1 80.56 58.36 34.34 0.00 0.00
157
+ ATOM 157 C PTH 1 80.56 58.36 35.34 0.00 0.00
158
+ ATOM 158 C PTH 1 80.56 58.36 36.34 0.00 0.00
159
+ ATOM 159 C PTH 1 80.56 58.36 37.34 0.00 0.00
160
+ ATOM 160 C PTH 1 80.56 58.36 38.34 0.00 0.00
161
+ ATOM 161 C PTH 1 80.56 58.36 39.34 0.00 0.00
162
+ ATOM 162 C PTH 1 80.56 59.36 31.34 0.00 0.00
163
+ ATOM 163 C PTH 1 80.56 59.36 32.34 0.00 0.00
164
+ ATOM 164 C PTH 1 80.56 59.36 33.34 0.00 0.00
165
+ ATOM 165 C PTH 1 80.56 59.36 34.34 0.00 0.00
166
+ ATOM 166 C PTH 1 80.56 59.36 35.34 0.00 0.00
167
+ ATOM 167 C PTH 1 80.56 59.36 36.34 0.00 0.00
168
+ ATOM 168 C PTH 1 80.56 59.36 37.34 0.00 0.00
169
+ ATOM 169 C PTH 1 80.56 59.36 38.34 0.00 0.00
170
+ ATOM 170 C PTH 1 80.56 59.36 39.34 0.00 0.00
171
+ ATOM 171 C PTH 1 80.56 60.36 31.34 0.00 0.00
172
+ ATOM 172 C PTH 1 80.56 60.36 32.34 0.00 0.00
173
+ ATOM 173 C PTH 1 80.56 60.36 33.34 0.00 0.00
174
+ ATOM 174 C PTH 1 80.56 60.36 34.34 0.00 0.00
175
+ ATOM 175 C PTH 1 80.56 60.36 35.34 0.00 0.00
176
+ ATOM 176 C PTH 1 80.56 60.36 36.34 0.00 0.00
177
+ ATOM 177 C PTH 1 80.56 60.36 37.34 0.00 0.00
178
+ ATOM 178 C PTH 1 80.56 60.36 38.34 0.00 0.00
179
+ ATOM 179 C PTH 1 80.56 60.36 39.34 0.00 0.00
180
+ ATOM 180 C PTH 1 80.56 61.36 31.34 0.00 0.00
181
+ ATOM 181 C PTH 1 80.56 61.36 32.34 0.00 0.00
182
+ ATOM 182 C PTH 1 80.56 61.36 33.34 0.00 0.00
183
+ ATOM 183 C PTH 1 80.56 61.36 34.34 0.00 0.00
184
+ ATOM 184 C PTH 1 80.56 61.36 35.34 0.00 0.00
185
+ ATOM 185 C PTH 1 80.56 61.36 36.34 0.00 0.00
186
+ ATOM 186 C PTH 1 80.56 61.36 37.34 0.00 0.00
187
+ ATOM 187 C PTH 1 80.56 61.36 38.34 0.00 0.00
188
+ ATOM 188 C PTH 1 80.56 61.36 39.34 0.00 0.00
189
+ ATOM 189 C PTH 1 81.56 58.36 35.34 0.00 0.00
190
+ ATOM 190 C PTH 1 81.56 58.36 36.34 0.00 0.00
191
+ ATOM 191 C PTH 1 81.56 58.36 37.34 0.00 0.00
192
+ ATOM 192 C PTH 1 81.56 58.36 38.34 0.00 0.00
193
+ ATOM 193 C PTH 1 81.56 58.36 39.34 0.00 0.00
194
+ ATOM 194 C PTH 1 81.56 59.36 35.34 0.00 0.00
195
+ ATOM 195 C PTH 1 81.56 59.36 36.34 0.00 0.00
196
+ ATOM 196 C PTH 1 81.56 59.36 37.34 0.00 0.00
197
+ ATOM 197 C PTH 1 81.56 59.36 38.34 0.00 0.00
198
+ ATOM 198 C PTH 1 81.56 59.36 39.34 0.00 0.00
199
+ ATOM 199 C PTH 1 81.56 60.36 35.34 0.00 0.00
200
+ ATOM 200 C PTH 1 81.56 60.36 36.34 0.00 0.00
201
+ ATOM 201 C PTH 1 81.56 60.36 37.34 0.00 0.00
202
+ ATOM 202 C PTH 1 81.56 60.36 38.34 0.00 0.00
203
+ ATOM 203 C PTH 1 81.56 60.36 39.34 0.00 0.00
204
+ ATOM 204 C PTH 1 81.56 61.36 36.34 0.00 0.00
205
+ ATOM 205 C PTH 1 81.56 61.36 37.34 0.00 0.00
206
+ ATOM 206 C PTH 1 81.56 61.36 38.34 0.00 0.00
207
+ ATOM 207 C PTH 1 81.56 61.36 39.34 0.00 0.00
208
+ ATOM 208 C PTH 1 82.56 58.36 36.34 0.00 0.00
209
+ ATOM 209 C PTH 1 82.56 58.36 37.34 0.00 0.00
210
+ ATOM 210 C PTH 1 82.56 58.36 38.34 0.00 0.00
211
+ ATOM 211 C PTH 1 82.56 59.36 36.34 0.00 0.00
212
+ ATOM 212 C PTH 1 82.56 59.36 37.34 0.00 0.00
213
+ ATOM 213 C PTH 1 82.56 59.36 38.34 0.00 0.00
214
+ ATOM 214 C PTH 1 82.56 59.36 39.34 0.00 0.00
215
+ ATOM 215 C PTH 1 82.56 60.36 36.34 0.00 0.00
216
+ ATOM 216 C PTH 1 82.56 60.36 37.34 0.00 0.00
217
+ ATOM 217 C PTH 1 82.56 60.36 38.34 0.00 0.00
218
+ ATOM 218 C PTH 1 82.56 60.36 39.34 0.00 0.00
219
+ ATOM 219 C PTH 1 82.56 61.36 37.34 0.00 0.00
220
+ ATOM 220 C PTH 1 82.56 61.36 38.34 0.00 0.00
221
+ ATOM 221 C PTH 1 82.56 61.36 39.34 0.00 0.00
222
+ ATOM 222 C PTH 1 83.56 58.36 37.34 0.00 0.00
223
+ ATOM 223 C PTH 1 83.56 58.36 38.34 0.00 0.00
224
+ ATOM 224 C PTH 1 83.56 59.36 37.34 0.00 0.00
225
+ ATOM 225 C PTH 1 83.56 59.36 38.34 0.00 0.00
226
+ ATOM 226 C PTH 1 83.56 60.36 37.34 0.00 0.00
227
+ ATOM 227 C PTH 1 83.56 60.36 38.34 0.00 0.00
data/files/A000G/pocket_03.pdb ADDED
@@ -0,0 +1,212 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 64.56 69.36 33.34 0.00 0.00
2
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3
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data/files/A000G/pocket_05.pdb ADDED
@@ -0,0 +1,171 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 72.56 64.36 57.34 0.00 0.00
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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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100
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140
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158
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159
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171
+ ATOM 171 C PTH 1 77.56 69.36 60.34 0.00 0.00
data/files/A000G/pocket_07.pdb ADDED
@@ -0,0 +1,168 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 55.56 54.36 47.34 0.00 0.00
2
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3
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7
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13
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15
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19
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21
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22
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25
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26
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27
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28
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34
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35
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36
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38
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168
+ ATOM 168 C PTH 1 62.56 59.36 47.34 0.00 0.00
data/files/A000G/pocket_08.pdb ADDED
@@ -0,0 +1,162 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 61.56 57.36 35.34 0.00 0.00
2
+ ATOM 2 C PTH 1 61.56 57.36 36.34 0.00 0.00
3
+ ATOM 3 C PTH 1 61.56 58.36 34.34 0.00 0.00
4
+ ATOM 4 C PTH 1 61.56 58.36 35.34 0.00 0.00
5
+ ATOM 5 C PTH 1 61.56 58.36 36.34 0.00 0.00
6
+ ATOM 6 C PTH 1 61.56 58.36 37.34 0.00 0.00
7
+ ATOM 7 C PTH 1 61.56 59.36 34.34 0.00 0.00
8
+ ATOM 8 C PTH 1 61.56 59.36 35.34 0.00 0.00
9
+ ATOM 9 C PTH 1 61.56 59.36 36.34 0.00 0.00
10
+ ATOM 10 C PTH 1 61.56 60.36 34.34 0.00 0.00
11
+ ATOM 11 C PTH 1 61.56 60.36 35.34 0.00 0.00
12
+ ATOM 12 C PTH 1 61.56 61.36 34.34 0.00 0.00
13
+ ATOM 13 C PTH 1 62.56 56.36 34.34 0.00 0.00
14
+ ATOM 14 C PTH 1 62.56 56.36 35.34 0.00 0.00
15
+ ATOM 15 C PTH 1 62.56 56.36 36.34 0.00 0.00
16
+ ATOM 16 C PTH 1 62.56 56.36 37.34 0.00 0.00
17
+ ATOM 17 C PTH 1 62.56 57.36 33.34 0.00 0.00
18
+ ATOM 18 C PTH 1 62.56 57.36 34.34 0.00 0.00
19
+ ATOM 19 C PTH 1 62.56 57.36 35.34 0.00 0.00
20
+ ATOM 20 C PTH 1 62.56 57.36 36.34 0.00 0.00
21
+ ATOM 21 C PTH 1 62.56 57.36 37.34 0.00 0.00
22
+ ATOM 22 C PTH 1 62.56 58.36 33.34 0.00 0.00
23
+ ATOM 23 C PTH 1 62.56 58.36 34.34 0.00 0.00
24
+ ATOM 24 C PTH 1 62.56 58.36 35.34 0.00 0.00
25
+ ATOM 25 C PTH 1 62.56 58.36 36.34 0.00 0.00
26
+ ATOM 26 C PTH 1 62.56 58.36 37.34 0.00 0.00
27
+ ATOM 27 C PTH 1 62.56 59.36 33.34 0.00 0.00
28
+ ATOM 28 C PTH 1 62.56 59.36 34.34 0.00 0.00
29
+ ATOM 29 C PTH 1 62.56 59.36 35.34 0.00 0.00
30
+ ATOM 30 C PTH 1 62.56 59.36 36.34 0.00 0.00
31
+ ATOM 31 C PTH 1 62.56 59.36 37.34 0.00 0.00
32
+ ATOM 32 C PTH 1 62.56 60.36 33.34 0.00 0.00
33
+ ATOM 33 C PTH 1 62.56 60.36 34.34 0.00 0.00
34
+ ATOM 34 C PTH 1 62.56 60.36 35.34 0.00 0.00
35
+ ATOM 35 C PTH 1 62.56 60.36 36.34 0.00 0.00
36
+ ATOM 36 C PTH 1 62.56 61.36 33.34 0.00 0.00
37
+ ATOM 37 C PTH 1 62.56 61.36 34.34 0.00 0.00
38
+ ATOM 38 C PTH 1 63.56 55.36 33.34 0.00 0.00
39
+ ATOM 39 C PTH 1 63.56 55.36 34.34 0.00 0.00
40
+ ATOM 40 C PTH 1 63.56 55.36 35.34 0.00 0.00
41
+ ATOM 41 C PTH 1 63.56 55.36 36.34 0.00 0.00
42
+ ATOM 42 C PTH 1 63.56 56.36 33.34 0.00 0.00
43
+ ATOM 43 C PTH 1 63.56 56.36 34.34 0.00 0.00
44
+ ATOM 44 C PTH 1 63.56 56.36 35.34 0.00 0.00
45
+ ATOM 45 C PTH 1 63.56 56.36 36.34 0.00 0.00
46
+ ATOM 46 C PTH 1 63.56 56.36 37.34 0.00 0.00
47
+ ATOM 47 C PTH 1 63.56 57.36 33.34 0.00 0.00
48
+ ATOM 48 C PTH 1 63.56 57.36 34.34 0.00 0.00
49
+ ATOM 49 C PTH 1 63.56 57.36 35.34 0.00 0.00
50
+ ATOM 50 C PTH 1 63.56 57.36 36.34 0.00 0.00
51
+ ATOM 51 C PTH 1 63.56 57.36 37.34 0.00 0.00
52
+ ATOM 52 C PTH 1 63.56 58.36 32.34 0.00 0.00
53
+ ATOM 53 C PTH 1 63.56 58.36 33.34 0.00 0.00
54
+ ATOM 54 C PTH 1 63.56 58.36 34.34 0.00 0.00
55
+ ATOM 55 C PTH 1 63.56 58.36 35.34 0.00 0.00
56
+ ATOM 56 C PTH 1 63.56 58.36 36.34 0.00 0.00
57
+ ATOM 57 C PTH 1 63.56 58.36 37.34 0.00 0.00
58
+ ATOM 58 C PTH 1 63.56 58.36 38.34 0.00 0.00
59
+ ATOM 59 C PTH 1 63.56 59.36 32.34 0.00 0.00
60
+ ATOM 60 C PTH 1 63.56 59.36 33.34 0.00 0.00
61
+ ATOM 61 C PTH 1 63.56 59.36 34.34 0.00 0.00
62
+ ATOM 62 C PTH 1 63.56 59.36 35.34 0.00 0.00
63
+ ATOM 63 C PTH 1 63.56 59.36 36.34 0.00 0.00
64
+ ATOM 64 C PTH 1 63.56 59.36 37.34 0.00 0.00
65
+ ATOM 65 C PTH 1 63.56 60.36 32.34 0.00 0.00
66
+ ATOM 66 C PTH 1 63.56 60.36 33.34 0.00 0.00
67
+ ATOM 67 C PTH 1 63.56 60.36 34.34 0.00 0.00
68
+ ATOM 68 C PTH 1 63.56 60.36 35.34 0.00 0.00
69
+ ATOM 69 C PTH 1 63.56 60.36 36.34 0.00 0.00
70
+ ATOM 70 C PTH 1 63.56 60.36 37.34 0.00 0.00
71
+ ATOM 71 C PTH 1 63.56 61.36 33.34 0.00 0.00
72
+ ATOM 72 C PTH 1 63.56 61.36 34.34 0.00 0.00
73
+ ATOM 73 C PTH 1 63.56 61.36 35.34 0.00 0.00
74
+ ATOM 74 C PTH 1 63.56 61.36 36.34 0.00 0.00
75
+ ATOM 75 C PTH 1 64.56 55.36 34.34 0.00 0.00
76
+ ATOM 76 C PTH 1 64.56 55.36 35.34 0.00 0.00
77
+ ATOM 77 C PTH 1 64.56 55.36 36.34 0.00 0.00
78
+ ATOM 78 C PTH 1 64.56 56.36 33.34 0.00 0.00
79
+ ATOM 79 C PTH 1 64.56 56.36 34.34 0.00 0.00
80
+ ATOM 80 C PTH 1 64.56 56.36 35.34 0.00 0.00
81
+ ATOM 81 C PTH 1 64.56 56.36 36.34 0.00 0.00
82
+ ATOM 82 C PTH 1 64.56 56.36 37.34 0.00 0.00
83
+ ATOM 83 C PTH 1 64.56 57.36 33.34 0.00 0.00
84
+ ATOM 84 C PTH 1 64.56 57.36 34.34 0.00 0.00
85
+ ATOM 85 C PTH 1 64.56 57.36 35.34 0.00 0.00
86
+ ATOM 86 C PTH 1 64.56 57.36 36.34 0.00 0.00
87
+ ATOM 87 C PTH 1 64.56 57.36 37.34 0.00 0.00
88
+ ATOM 88 C PTH 1 64.56 58.36 32.34 0.00 0.00
89
+ ATOM 89 C PTH 1 64.56 58.36 33.34 0.00 0.00
90
+ ATOM 90 C PTH 1 64.56 58.36 34.34 0.00 0.00
91
+ ATOM 91 C PTH 1 64.56 58.36 35.34 0.00 0.00
92
+ ATOM 92 C PTH 1 64.56 58.36 36.34 0.00 0.00
93
+ ATOM 93 C PTH 1 64.56 58.36 37.34 0.00 0.00
94
+ ATOM 94 C PTH 1 64.56 58.36 38.34 0.00 0.00
95
+ ATOM 95 C PTH 1 64.56 59.36 32.34 0.00 0.00
96
+ ATOM 96 C PTH 1 64.56 59.36 33.34 0.00 0.00
97
+ ATOM 97 C PTH 1 64.56 59.36 34.34 0.00 0.00
98
+ ATOM 98 C PTH 1 64.56 59.36 35.34 0.00 0.00
99
+ ATOM 99 C PTH 1 64.56 59.36 36.34 0.00 0.00
100
+ ATOM 100 C PTH 1 64.56 59.36 37.34 0.00 0.00
101
+ ATOM 101 C PTH 1 64.56 60.36 32.34 0.00 0.00
102
+ ATOM 102 C PTH 1 64.56 60.36 33.34 0.00 0.00
103
+ ATOM 103 C PTH 1 64.56 60.36 34.34 0.00 0.00
104
+ ATOM 104 C PTH 1 64.56 60.36 35.34 0.00 0.00
105
+ ATOM 105 C PTH 1 64.56 60.36 36.34 0.00 0.00
106
+ ATOM 106 C PTH 1 64.56 60.36 37.34 0.00 0.00
107
+ ATOM 107 C PTH 1 64.56 61.36 32.34 0.00 0.00
108
+ ATOM 108 C PTH 1 64.56 61.36 33.34 0.00 0.00
109
+ ATOM 109 C PTH 1 64.56 61.36 34.34 0.00 0.00
110
+ ATOM 110 C PTH 1 64.56 61.36 35.34 0.00 0.00
111
+ ATOM 111 C PTH 1 64.56 61.36 36.34 0.00 0.00
112
+ ATOM 112 C PTH 1 65.56 55.36 35.34 0.00 0.00
113
+ ATOM 113 C PTH 1 65.56 55.36 36.34 0.00 0.00
114
+ ATOM 114 C PTH 1 65.56 56.36 33.34 0.00 0.00
115
+ ATOM 115 C PTH 1 65.56 56.36 34.34 0.00 0.00
116
+ ATOM 116 C PTH 1 65.56 56.36 35.34 0.00 0.00
117
+ ATOM 117 C PTH 1 65.56 56.36 36.34 0.00 0.00
118
+ ATOM 118 C PTH 1 65.56 57.36 33.34 0.00 0.00
119
+ ATOM 119 C PTH 1 65.56 57.36 34.34 0.00 0.00
120
+ ATOM 120 C PTH 1 65.56 57.36 35.34 0.00 0.00
121
+ ATOM 121 C PTH 1 65.56 57.36 36.34 0.00 0.00
122
+ ATOM 122 C PTH 1 65.56 57.36 37.34 0.00 0.00
123
+ ATOM 123 C PTH 1 65.56 58.36 32.34 0.00 0.00
124
+ ATOM 124 C PTH 1 65.56 58.36 33.34 0.00 0.00
125
+ ATOM 125 C PTH 1 65.56 58.36 34.34 0.00 0.00
126
+ ATOM 126 C PTH 1 65.56 58.36 35.34 0.00 0.00
127
+ ATOM 127 C PTH 1 65.56 58.36 36.34 0.00 0.00
128
+ ATOM 128 C PTH 1 65.56 58.36 37.34 0.00 0.00
129
+ ATOM 129 C PTH 1 65.56 59.36 32.34 0.00 0.00
130
+ ATOM 130 C PTH 1 65.56 59.36 33.34 0.00 0.00
131
+ ATOM 131 C PTH 1 65.56 59.36 34.34 0.00 0.00
132
+ ATOM 132 C PTH 1 65.56 59.36 35.34 0.00 0.00
133
+ ATOM 133 C PTH 1 65.56 59.36 36.34 0.00 0.00
134
+ ATOM 134 C PTH 1 65.56 59.36 37.34 0.00 0.00
135
+ ATOM 135 C PTH 1 65.56 60.36 32.34 0.00 0.00
136
+ ATOM 136 C PTH 1 65.56 60.36 33.34 0.00 0.00
137
+ ATOM 137 C PTH 1 65.56 60.36 34.34 0.00 0.00
138
+ ATOM 138 C PTH 1 65.56 60.36 35.34 0.00 0.00
139
+ ATOM 139 C PTH 1 65.56 60.36 36.34 0.00 0.00
140
+ ATOM 140 C PTH 1 65.56 60.36 37.34 0.00 0.00
141
+ ATOM 141 C PTH 1 65.56 61.36 37.34 0.00 0.00
142
+ ATOM 142 C PTH 1 66.56 56.36 34.34 0.00 0.00
143
+ ATOM 143 C PTH 1 66.56 56.36 35.34 0.00 0.00
144
+ ATOM 144 C PTH 1 66.56 57.36 33.34 0.00 0.00
145
+ ATOM 145 C PTH 1 66.56 57.36 34.34 0.00 0.00
146
+ ATOM 146 C PTH 1 66.56 57.36 35.34 0.00 0.00
147
+ ATOM 147 C PTH 1 66.56 57.36 36.34 0.00 0.00
148
+ ATOM 148 C PTH 1 66.56 58.36 33.34 0.00 0.00
149
+ ATOM 149 C PTH 1 66.56 58.36 34.34 0.00 0.00
150
+ ATOM 150 C PTH 1 66.56 58.36 35.34 0.00 0.00
151
+ ATOM 151 C PTH 1 66.56 58.36 36.34 0.00 0.00
152
+ ATOM 152 C PTH 1 66.56 58.36 37.34 0.00 0.00
153
+ ATOM 153 C PTH 1 66.56 59.36 34.34 0.00 0.00
154
+ ATOM 154 C PTH 1 66.56 59.36 35.34 0.00 0.00
155
+ ATOM 155 C PTH 1 66.56 59.36 36.34 0.00 0.00
156
+ ATOM 156 C PTH 1 66.56 59.36 37.34 0.00 0.00
157
+ ATOM 157 C PTH 1 66.56 60.36 35.34 0.00 0.00
158
+ ATOM 158 C PTH 1 66.56 60.36 36.34 0.00 0.00
159
+ ATOM 159 C PTH 1 66.56 60.36 37.34 0.00 0.00
160
+ ATOM 160 C PTH 1 66.56 61.36 37.34 0.00 0.00
161
+ ATOM 161 C PTH 1 67.56 60.36 37.34 0.00 0.00
162
+ ATOM 162 C PTH 1 67.56 61.36 37.34 0.00 0.00
data/files/A000G/pocket_09.pdb ADDED
@@ -0,0 +1,162 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 68.56 76.36 19.34 0.00 0.00
2
+ ATOM 2 C PTH 1 68.56 76.36 20.34 0.00 0.00
3
+ ATOM 3 C PTH 1 68.56 76.36 21.34 0.00 0.00
4
+ ATOM 4 C PTH 1 68.56 76.36 22.34 0.00 0.00
5
+ ATOM 5 C PTH 1 68.56 77.36 18.34 0.00 0.00
6
+ ATOM 6 C PTH 1 68.56 77.36 19.34 0.00 0.00
7
+ ATOM 7 C PTH 1 68.56 77.36 20.34 0.00 0.00
8
+ ATOM 8 C PTH 1 68.56 77.36 21.34 0.00 0.00
9
+ ATOM 9 C PTH 1 68.56 77.36 22.34 0.00 0.00
10
+ ATOM 10 C PTH 1 68.56 78.36 18.34 0.00 0.00
11
+ ATOM 11 C PTH 1 68.56 78.36 19.34 0.00 0.00
12
+ ATOM 12 C PTH 1 68.56 78.36 20.34 0.00 0.00
13
+ ATOM 13 C PTH 1 68.56 78.36 21.34 0.00 0.00
14
+ ATOM 14 C PTH 1 68.56 79.36 20.34 0.00 0.00
15
+ ATOM 15 C PTH 1 69.56 75.36 20.34 0.00 0.00
16
+ ATOM 16 C PTH 1 69.56 75.36 21.34 0.00 0.00
17
+ ATOM 17 C PTH 1 69.56 75.36 22.34 0.00 0.00
18
+ ATOM 18 C PTH 1 69.56 76.36 18.34 0.00 0.00
19
+ ATOM 19 C PTH 1 69.56 76.36 19.34 0.00 0.00
20
+ ATOM 20 C PTH 1 69.56 76.36 20.34 0.00 0.00
21
+ ATOM 21 C PTH 1 69.56 76.36 21.34 0.00 0.00
22
+ ATOM 22 C PTH 1 69.56 76.36 22.34 0.00 0.00
23
+ ATOM 23 C PTH 1 69.56 76.36 23.34 0.00 0.00
24
+ ATOM 24 C PTH 1 69.56 77.36 18.34 0.00 0.00
25
+ ATOM 25 C PTH 1 69.56 77.36 19.34 0.00 0.00
26
+ ATOM 26 C PTH 1 69.56 77.36 20.34 0.00 0.00
27
+ ATOM 27 C PTH 1 69.56 77.36 21.34 0.00 0.00
28
+ ATOM 28 C PTH 1 69.56 77.36 22.34 0.00 0.00
29
+ ATOM 29 C PTH 1 69.56 77.36 23.34 0.00 0.00
30
+ ATOM 30 C PTH 1 69.56 78.36 18.34 0.00 0.00
31
+ ATOM 31 C PTH 1 69.56 78.36 19.34 0.00 0.00
32
+ ATOM 32 C PTH 1 69.56 78.36 20.34 0.00 0.00
33
+ ATOM 33 C PTH 1 69.56 78.36 21.34 0.00 0.00
34
+ ATOM 34 C PTH 1 69.56 79.36 19.34 0.00 0.00
35
+ ATOM 35 C PTH 1 69.56 79.36 20.34 0.00 0.00
36
+ ATOM 36 C PTH 1 70.56 74.36 18.34 0.00 0.00
37
+ ATOM 37 C PTH 1 70.56 74.36 19.34 0.00 0.00
38
+ ATOM 38 C PTH 1 70.56 74.36 20.34 0.00 0.00
39
+ ATOM 39 C PTH 1 70.56 74.36 21.34 0.00 0.00
40
+ ATOM 40 C PTH 1 70.56 75.36 18.34 0.00 0.00
41
+ ATOM 41 C PTH 1 70.56 75.36 19.34 0.00 0.00
42
+ ATOM 42 C PTH 1 70.56 75.36 20.34 0.00 0.00
43
+ ATOM 43 C PTH 1 70.56 75.36 21.34 0.00 0.00
44
+ ATOM 44 C PTH 1 70.56 75.36 22.34 0.00 0.00
45
+ ATOM 45 C PTH 1 70.56 75.36 23.34 0.00 0.00
46
+ ATOM 46 C PTH 1 70.56 76.36 18.34 0.00 0.00
47
+ ATOM 47 C PTH 1 70.56 76.36 19.34 0.00 0.00
48
+ ATOM 48 C PTH 1 70.56 76.36 20.34 0.00 0.00
49
+ ATOM 49 C PTH 1 70.56 76.36 21.34 0.00 0.00
50
+ ATOM 50 C PTH 1 70.56 76.36 22.34 0.00 0.00
51
+ ATOM 51 C PTH 1 70.56 76.36 23.34 0.00 0.00
52
+ ATOM 52 C PTH 1 70.56 77.36 18.34 0.00 0.00
53
+ ATOM 53 C PTH 1 70.56 77.36 19.34 0.00 0.00
54
+ ATOM 54 C PTH 1 70.56 77.36 20.34 0.00 0.00
55
+ ATOM 55 C PTH 1 70.56 77.36 21.34 0.00 0.00
56
+ ATOM 56 C PTH 1 70.56 77.36 22.34 0.00 0.00
57
+ ATOM 57 C PTH 1 70.56 77.36 23.34 0.00 0.00
58
+ ATOM 58 C PTH 1 70.56 78.36 18.34 0.00 0.00
59
+ ATOM 59 C PTH 1 70.56 78.36 19.34 0.00 0.00
60
+ ATOM 60 C PTH 1 70.56 78.36 20.34 0.00 0.00
61
+ ATOM 61 C PTH 1 70.56 78.36 21.34 0.00 0.00
62
+ ATOM 62 C PTH 1 70.56 78.36 22.34 0.00 0.00
63
+ ATOM 63 C PTH 1 70.56 79.36 19.34 0.00 0.00
64
+ ATOM 64 C PTH 1 70.56 79.36 20.34 0.00 0.00
65
+ ATOM 65 C PTH 1 70.56 79.36 21.34 0.00 0.00
66
+ ATOM 66 C PTH 1 71.56 73.36 19.34 0.00 0.00
67
+ ATOM 67 C PTH 1 71.56 73.36 20.34 0.00 0.00
68
+ ATOM 68 C PTH 1 71.56 73.36 21.34 0.00 0.00
69
+ ATOM 69 C PTH 1 71.56 74.36 18.34 0.00 0.00
70
+ ATOM 70 C PTH 1 71.56 74.36 19.34 0.00 0.00
71
+ ATOM 71 C PTH 1 71.56 74.36 20.34 0.00 0.00
72
+ ATOM 72 C PTH 1 71.56 74.36 21.34 0.00 0.00
73
+ ATOM 73 C PTH 1 71.56 74.36 22.34 0.00 0.00
74
+ ATOM 74 C PTH 1 71.56 75.36 18.34 0.00 0.00
75
+ ATOM 75 C PTH 1 71.56 75.36 19.34 0.00 0.00
76
+ ATOM 76 C PTH 1 71.56 75.36 20.34 0.00 0.00
77
+ ATOM 77 C PTH 1 71.56 75.36 21.34 0.00 0.00
78
+ ATOM 78 C PTH 1 71.56 75.36 22.34 0.00 0.00
79
+ ATOM 79 C PTH 1 71.56 75.36 23.34 0.00 0.00
80
+ ATOM 80 C PTH 1 71.56 76.36 18.34 0.00 0.00
81
+ ATOM 81 C PTH 1 71.56 76.36 19.34 0.00 0.00
82
+ ATOM 82 C PTH 1 71.56 76.36 20.34 0.00 0.00
83
+ ATOM 83 C PTH 1 71.56 76.36 21.34 0.00 0.00
84
+ ATOM 84 C PTH 1 71.56 76.36 22.34 0.00 0.00
85
+ ATOM 85 C PTH 1 71.56 76.36 23.34 0.00 0.00
86
+ ATOM 86 C PTH 1 71.56 76.36 24.34 0.00 0.00
87
+ ATOM 87 C PTH 1 71.56 77.36 18.34 0.00 0.00
88
+ ATOM 88 C PTH 1 71.56 77.36 19.34 0.00 0.00
89
+ ATOM 89 C PTH 1 71.56 77.36 20.34 0.00 0.00
90
+ ATOM 90 C PTH 1 71.56 77.36 21.34 0.00 0.00
91
+ ATOM 91 C PTH 1 71.56 77.36 22.34 0.00 0.00
92
+ ATOM 92 C PTH 1 71.56 77.36 23.34 0.00 0.00
93
+ ATOM 93 C PTH 1 71.56 77.36 24.34 0.00 0.00
94
+ ATOM 94 C PTH 1 71.56 78.36 18.34 0.00 0.00
95
+ ATOM 95 C PTH 1 71.56 78.36 19.34 0.00 0.00
96
+ ATOM 96 C PTH 1 71.56 78.36 20.34 0.00 0.00
97
+ ATOM 97 C PTH 1 71.56 78.36 21.34 0.00 0.00
98
+ ATOM 98 C PTH 1 71.56 78.36 22.34 0.00 0.00
99
+ ATOM 99 C PTH 1 71.56 78.36 23.34 0.00 0.00
100
+ ATOM 100 C PTH 1 71.56 79.36 19.34 0.00 0.00
101
+ ATOM 101 C PTH 1 71.56 79.36 20.34 0.00 0.00
102
+ ATOM 102 C PTH 1 71.56 79.36 21.34 0.00 0.00
103
+ ATOM 103 C PTH 1 72.56 73.36 19.34 0.00 0.00
104
+ ATOM 104 C PTH 1 72.56 73.36 20.34 0.00 0.00
105
+ ATOM 105 C PTH 1 72.56 73.36 21.34 0.00 0.00
106
+ ATOM 106 C PTH 1 72.56 74.36 18.34 0.00 0.00
107
+ ATOM 107 C PTH 1 72.56 74.36 19.34 0.00 0.00
108
+ ATOM 108 C PTH 1 72.56 74.36 20.34 0.00 0.00
109
+ ATOM 109 C PTH 1 72.56 74.36 21.34 0.00 0.00
110
+ ATOM 110 C PTH 1 72.56 74.36 22.34 0.00 0.00
111
+ ATOM 111 C PTH 1 72.56 75.36 18.34 0.00 0.00
112
+ ATOM 112 C PTH 1 72.56 75.36 19.34 0.00 0.00
113
+ ATOM 113 C PTH 1 72.56 75.36 20.34 0.00 0.00
114
+ ATOM 114 C PTH 1 72.56 75.36 21.34 0.00 0.00
115
+ ATOM 115 C PTH 1 72.56 75.36 22.34 0.00 0.00
116
+ ATOM 116 C PTH 1 72.56 75.36 23.34 0.00 0.00
117
+ ATOM 117 C PTH 1 72.56 76.36 18.34 0.00 0.00
118
+ ATOM 118 C PTH 1 72.56 76.36 19.34 0.00 0.00
119
+ ATOM 119 C PTH 1 72.56 76.36 20.34 0.00 0.00
120
+ ATOM 120 C PTH 1 72.56 76.36 21.34 0.00 0.00
121
+ ATOM 121 C PTH 1 72.56 76.36 22.34 0.00 0.00
122
+ ATOM 122 C PTH 1 72.56 76.36 23.34 0.00 0.00
123
+ ATOM 123 C PTH 1 72.56 77.36 18.34 0.00 0.00
124
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136
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143
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148
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149
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150
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152
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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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162
+ ATOM 162 C PTH 1 74.56 76.36 22.34 0.00 0.00
data/files/A000G/pocket_10.pdb ADDED
@@ -0,0 +1,149 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 61.56 69.36 29.34 0.00 0.00
2
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3
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19
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149
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data/files/A000G/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A000W/pocket_05.pdb ADDED
@@ -0,0 +1,180 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 69.41 84.72 36.47 0.00 0.00
2
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3
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
+ ATOM 89 C PTH 1 72.41 90.72 33.47 0.00 0.00
90
+ ATOM 90 C PTH 1 72.41 90.72 34.47 0.00 0.00
91
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92
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95
+ ATOM 95 C PTH 1 72.41 91.72 34.47 0.00 0.00
96
+ ATOM 96 C PTH 1 72.41 91.72 35.47 0.00 0.00
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+ ATOM 97 C PTH 1 73.41 85.72 35.47 0.00 0.00
98
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100
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118
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150
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168
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+ ATOM 177 C PTH 1 76.41 87.72 35.47 0.00 0.00
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+ ATOM 179 C PTH 1 76.41 89.72 36.47 0.00 0.00
180
+ ATOM 180 C PTH 1 76.41 89.72 37.47 0.00 0.00
data/files/A0019/pocket_05.pdb ADDED
@@ -0,0 +1,93 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 117.67 83.56 32.38 0.00 0.00
2
+ ATOM 2 C PTH 1 117.67 84.56 32.38 0.00 0.00
3
+ ATOM 3 C PTH 1 117.67 84.56 33.38 0.00 0.00
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93
+ ATOM 93 C PTH 1 122.67 84.56 34.38 0.00 0.00
data/files/A0019/pocket_06.pdb ADDED
@@ -0,0 +1,51 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 74.67 74.56 41.38 0.00 0.00
2
+ ATOM 2 C PTH 1 74.67 74.56 42.38 0.00 0.00
3
+ ATOM 3 C PTH 1 74.67 75.56 40.38 0.00 0.00
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51
+ ATOM 51 C PTH 1 77.67 77.56 42.38 0.00 0.00
data/files/A0019/pocket_07.pdb ADDED
@@ -0,0 +1,46 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 120.67 90.56 37.38 0.00 0.00
2
+ ATOM 2 C PTH 1 120.67 90.56 38.38 0.00 0.00
3
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46
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data/files/A0019/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A001C/pocket_07.pdb ADDED
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1
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data/files/A003I/pocket_02.pdb ADDED
@@ -0,0 +1,191 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A003I/pocket_03.pdb ADDED
@@ -0,0 +1,173 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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12
+ ATOM 12 C PTH 1 93.6 96.56 48.64 0.00 0.00
13
+ ATOM 13 C PTH 1 93.6 96.56 49.64 0.00 0.00
14
+ ATOM 14 C PTH 1 93.6 96.56 50.64 0.00 0.00
15
+ ATOM 15 C PTH 1 93.6 96.56 51.64 0.00 0.00
16
+ ATOM 16 C PTH 1 93.6 96.56 52.64 0.00 0.00
17
+ ATOM 17 C PTH 1 93.6 97.56 47.64 0.00 0.00
18
+ ATOM 18 C PTH 1 93.6 97.56 48.64 0.00 0.00
19
+ ATOM 19 C PTH 1 93.6 97.56 49.64 0.00 0.00
20
+ ATOM 20 C PTH 1 93.6 97.56 50.64 0.00 0.00
21
+ ATOM 21 C PTH 1 93.6 97.56 51.64 0.00 0.00
22
+ ATOM 22 C PTH 1 93.6 97.56 52.64 0.00 0.00
23
+ ATOM 23 C PTH 1 93.6 98.56 47.64 0.00 0.00
24
+ ATOM 24 C PTH 1 93.6 98.56 48.64 0.00 0.00
25
+ ATOM 25 C PTH 1 93.6 98.56 49.64 0.00 0.00
26
+ ATOM 26 C PTH 1 93.6 98.56 50.64 0.00 0.00
27
+ ATOM 27 C PTH 1 93.6 98.56 51.64 0.00 0.00
28
+ ATOM 28 C PTH 1 93.6 98.56 52.64 0.00 0.00
29
+ ATOM 29 C PTH 1 93.6 99.56 48.64 0.00 0.00
30
+ ATOM 30 C PTH 1 93.6 99.56 49.64 0.00 0.00
31
+ ATOM 31 C PTH 1 94.6 94.56 50.64 0.00 0.00
32
+ ATOM 32 C PTH 1 94.6 95.56 48.64 0.00 0.00
33
+ ATOM 33 C PTH 1 94.6 95.56 49.64 0.00 0.00
34
+ ATOM 34 C PTH 1 94.6 95.56 50.64 0.00 0.00
35
+ ATOM 35 C PTH 1 94.6 95.56 51.64 0.00 0.00
36
+ ATOM 36 C PTH 1 94.6 95.56 52.64 0.00 0.00
37
+ ATOM 37 C PTH 1 94.6 95.56 53.64 0.00 0.00
38
+ ATOM 38 C PTH 1 94.6 95.56 54.64 0.00 0.00
39
+ ATOM 39 C PTH 1 94.6 96.56 47.64 0.00 0.00
40
+ ATOM 40 C PTH 1 94.6 96.56 48.64 0.00 0.00
41
+ ATOM 41 C PTH 1 94.6 96.56 49.64 0.00 0.00
42
+ ATOM 42 C PTH 1 94.6 96.56 50.64 0.00 0.00
43
+ ATOM 43 C PTH 1 94.6 96.56 51.64 0.00 0.00
44
+ ATOM 44 C PTH 1 94.6 96.56 52.64 0.00 0.00
45
+ ATOM 45 C PTH 1 94.6 96.56 53.64 0.00 0.00
46
+ ATOM 46 C PTH 1 94.6 96.56 54.64 0.00 0.00
47
+ ATOM 47 C PTH 1 94.6 97.56 47.64 0.00 0.00
48
+ ATOM 48 C PTH 1 94.6 97.56 48.64 0.00 0.00
49
+ ATOM 49 C PTH 1 94.6 97.56 49.64 0.00 0.00
50
+ ATOM 50 C PTH 1 94.6 97.56 50.64 0.00 0.00
51
+ ATOM 51 C PTH 1 94.6 97.56 51.64 0.00 0.00
52
+ ATOM 52 C PTH 1 94.6 97.56 52.64 0.00 0.00
53
+ ATOM 53 C PTH 1 94.6 97.56 53.64 0.00 0.00
54
+ ATOM 54 C PTH 1 94.6 97.56 54.64 0.00 0.00
55
+ ATOM 55 C PTH 1 94.6 98.56 48.64 0.00 0.00
56
+ ATOM 56 C PTH 1 94.6 98.56 49.64 0.00 0.00
57
+ ATOM 57 C PTH 1 94.6 98.56 50.64 0.00 0.00
58
+ ATOM 58 C PTH 1 94.6 98.56 51.64 0.00 0.00
59
+ ATOM 59 C PTH 1 94.6 98.56 52.64 0.00 0.00
60
+ ATOM 60 C PTH 1 94.6 98.56 53.64 0.00 0.00
61
+ ATOM 61 C PTH 1 94.6 99.56 49.64 0.00 0.00
62
+ ATOM 62 C PTH 1 94.6 99.56 50.64 0.00 0.00
63
+ ATOM 63 C PTH 1 94.6 99.56 52.64 0.00 0.00
64
+ ATOM 64 C PTH 1 95.6 94.56 48.64 0.00 0.00
65
+ ATOM 65 C PTH 1 95.6 94.56 49.64 0.00 0.00
66
+ ATOM 66 C PTH 1 95.6 94.56 50.64 0.00 0.00
67
+ ATOM 67 C PTH 1 95.6 94.56 51.64 0.00 0.00
68
+ ATOM 68 C PTH 1 95.6 95.56 47.64 0.00 0.00
69
+ ATOM 69 C PTH 1 95.6 95.56 48.64 0.00 0.00
70
+ ATOM 70 C PTH 1 95.6 95.56 49.64 0.00 0.00
71
+ ATOM 71 C PTH 1 95.6 95.56 50.64 0.00 0.00
72
+ ATOM 72 C PTH 1 95.6 95.56 51.64 0.00 0.00
73
+ ATOM 73 C PTH 1 95.6 95.56 52.64 0.00 0.00
74
+ ATOM 74 C PTH 1 95.6 95.56 53.64 0.00 0.00
75
+ ATOM 75 C PTH 1 95.6 95.56 54.64 0.00 0.00
76
+ ATOM 76 C PTH 1 95.6 96.56 47.64 0.00 0.00
77
+ ATOM 77 C PTH 1 95.6 96.56 48.64 0.00 0.00
78
+ ATOM 78 C PTH 1 95.6 96.56 49.64 0.00 0.00
79
+ ATOM 79 C PTH 1 95.6 96.56 50.64 0.00 0.00
80
+ ATOM 80 C PTH 1 95.6 96.56 51.64 0.00 0.00
81
+ ATOM 81 C PTH 1 95.6 96.56 52.64 0.00 0.00
82
+ ATOM 82 C PTH 1 95.6 96.56 53.64 0.00 0.00
83
+ ATOM 83 C PTH 1 95.6 96.56 54.64 0.00 0.00
84
+ ATOM 84 C PTH 1 95.6 97.56 48.64 0.00 0.00
85
+ ATOM 85 C PTH 1 95.6 97.56 49.64 0.00 0.00
86
+ ATOM 86 C PTH 1 95.6 97.56 50.64 0.00 0.00
87
+ ATOM 87 C PTH 1 95.6 97.56 51.64 0.00 0.00
88
+ ATOM 88 C PTH 1 95.6 97.56 52.64 0.00 0.00
89
+ ATOM 89 C PTH 1 95.6 97.56 53.64 0.00 0.00
90
+ ATOM 90 C PTH 1 95.6 97.56 54.64 0.00 0.00
91
+ ATOM 91 C PTH 1 95.6 98.56 48.64 0.00 0.00
92
+ ATOM 92 C PTH 1 95.6 98.56 49.64 0.00 0.00
93
+ ATOM 93 C PTH 1 95.6 98.56 50.64 0.00 0.00
94
+ ATOM 94 C PTH 1 95.6 98.56 51.64 0.00 0.00
95
+ ATOM 95 C PTH 1 95.6 98.56 52.64 0.00 0.00
96
+ ATOM 96 C PTH 1 95.6 98.56 53.64 0.00 0.00
97
+ ATOM 97 C PTH 1 95.6 98.56 54.64 0.00 0.00
98
+ ATOM 98 C PTH 1 95.6 99.56 49.64 0.00 0.00
99
+ ATOM 99 C PTH 1 95.6 99.56 50.64 0.00 0.00
100
+ ATOM 100 C PTH 1 95.6 99.56 51.64 0.00 0.00
101
+ ATOM 101 C PTH 1 95.6 99.56 52.64 0.00 0.00
102
+ ATOM 102 C PTH 1 96.6 94.56 48.64 0.00 0.00
103
+ ATOM 103 C PTH 1 96.6 94.56 49.64 0.00 0.00
104
+ ATOM 104 C PTH 1 96.6 94.56 50.64 0.00 0.00
105
+ ATOM 105 C PTH 1 96.6 94.56 51.64 0.00 0.00
106
+ ATOM 106 C PTH 1 96.6 95.56 47.64 0.00 0.00
107
+ ATOM 107 C PTH 1 96.6 95.56 48.64 0.00 0.00
108
+ ATOM 108 C PTH 1 96.6 95.56 49.64 0.00 0.00
109
+ ATOM 109 C PTH 1 96.6 95.56 50.64 0.00 0.00
110
+ ATOM 110 C PTH 1 96.6 95.56 51.64 0.00 0.00
111
+ ATOM 111 C PTH 1 96.6 95.56 52.64 0.00 0.00
112
+ ATOM 112 C PTH 1 96.6 95.56 53.64 0.00 0.00
113
+ ATOM 113 C PTH 1 96.6 95.56 54.64 0.00 0.00
114
+ ATOM 114 C PTH 1 96.6 96.56 47.64 0.00 0.00
115
+ ATOM 115 C PTH 1 96.6 96.56 48.64 0.00 0.00
116
+ ATOM 116 C PTH 1 96.6 96.56 49.64 0.00 0.00
117
+ ATOM 117 C PTH 1 96.6 96.56 50.64 0.00 0.00
118
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119
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120
+ ATOM 120 C PTH 1 96.6 96.56 53.64 0.00 0.00
121
+ ATOM 121 C PTH 1 96.6 96.56 54.64 0.00 0.00
122
+ ATOM 122 C PTH 1 96.6 97.56 48.64 0.00 0.00
123
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124
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125
+ ATOM 125 C PTH 1 96.6 97.56 51.64 0.00 0.00
126
+ ATOM 126 C PTH 1 96.6 97.56 52.64 0.00 0.00
127
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128
+ ATOM 128 C PTH 1 96.6 97.56 54.64 0.00 0.00
129
+ ATOM 129 C PTH 1 96.6 98.56 48.64 0.00 0.00
130
+ ATOM 130 C PTH 1 96.6 98.56 49.64 0.00 0.00
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
+ ATOM 136 C PTH 1 96.6 99.56 49.64 0.00 0.00
137
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138
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139
+ ATOM 139 C PTH 1 96.6 99.56 52.64 0.00 0.00
140
+ ATOM 140 C PTH 1 97.6 94.56 49.64 0.00 0.00
141
+ ATOM 141 C PTH 1 97.6 94.56 50.64 0.00 0.00
142
+ ATOM 142 C PTH 1 97.6 94.56 51.64 0.00 0.00
143
+ ATOM 143 C PTH 1 97.6 95.56 48.64 0.00 0.00
144
+ ATOM 144 C PTH 1 97.6 95.56 49.64 0.00 0.00
145
+ ATOM 145 C PTH 1 97.6 95.56 50.64 0.00 0.00
146
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147
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148
+ ATOM 148 C PTH 1 97.6 95.56 53.64 0.00 0.00
149
+ ATOM 149 C PTH 1 97.6 95.56 54.64 0.00 0.00
150
+ ATOM 150 C PTH 1 97.6 96.56 48.64 0.00 0.00
151
+ ATOM 151 C PTH 1 97.6 96.56 49.64 0.00 0.00
152
+ ATOM 152 C PTH 1 97.6 96.56 50.64 0.00 0.00
153
+ ATOM 153 C PTH 1 97.6 96.56 51.64 0.00 0.00
154
+ ATOM 154 C PTH 1 97.6 96.56 52.64 0.00 0.00
155
+ ATOM 155 C PTH 1 97.6 96.56 53.64 0.00 0.00
156
+ ATOM 156 C PTH 1 97.6 96.56 54.64 0.00 0.00
157
+ ATOM 157 C PTH 1 97.6 97.56 48.64 0.00 0.00
158
+ ATOM 158 C PTH 1 97.6 97.56 49.64 0.00 0.00
159
+ ATOM 159 C PTH 1 97.6 97.56 50.64 0.00 0.00
160
+ ATOM 160 C PTH 1 97.6 97.56 51.64 0.00 0.00
161
+ ATOM 161 C PTH 1 97.6 97.56 52.64 0.00 0.00
162
+ ATOM 162 C PTH 1 97.6 97.56 53.64 0.00 0.00
163
+ ATOM 163 C PTH 1 97.6 97.56 54.64 0.00 0.00
164
+ ATOM 164 C PTH 1 97.6 98.56 49.64 0.00 0.00
165
+ ATOM 165 C PTH 1 97.6 98.56 50.64 0.00 0.00
166
+ ATOM 166 C PTH 1 97.6 98.56 51.64 0.00 0.00
167
+ ATOM 167 C PTH 1 97.6 98.56 52.64 0.00 0.00
168
+ ATOM 168 C PTH 1 97.6 98.56 53.64 0.00 0.00
169
+ ATOM 169 C PTH 1 97.6 99.56 51.64 0.00 0.00
170
+ ATOM 170 C PTH 1 98.6 96.56 51.64 0.00 0.00
171
+ ATOM 171 C PTH 1 98.6 96.56 53.64 0.00 0.00
172
+ ATOM 172 C PTH 1 98.6 97.56 52.64 0.00 0.00
173
+ ATOM 173 C PTH 1 98.6 97.56 53.64 0.00 0.00
data/files/A003I/pocket_04.pdb ADDED
@@ -0,0 +1,166 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 121.6 126.56 62.64 0.00 0.00
2
+ ATOM 2 C PTH 1 121.6 126.56 63.64 0.00 0.00
3
+ ATOM 3 C PTH 1 121.6 126.56 64.64 0.00 0.00
4
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5
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6
+ ATOM 6 C PTH 1 121.6 127.56 64.64 0.00 0.00
7
+ ATOM 7 C PTH 1 121.6 127.56 65.64 0.00 0.00
8
+ ATOM 8 C PTH 1 121.6 128.56 63.64 0.00 0.00
9
+ ATOM 9 C PTH 1 121.6 128.56 64.64 0.00 0.00
10
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11
+ ATOM 11 C PTH 1 121.6 129.56 64.64 0.00 0.00
12
+ ATOM 12 C PTH 1 121.6 129.56 65.64 0.00 0.00
13
+ ATOM 13 C PTH 1 121.6 129.56 66.64 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
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23
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24
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25
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26
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27
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28
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29
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30
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31
+ ATOM 31 C PTH 1 122.6 129.56 67.64 0.00 0.00
32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
+ ATOM 51 C PTH 1 123.6 129.56 66.64 0.00 0.00
52
+ ATOM 52 C PTH 1 123.6 129.56 67.64 0.00 0.00
53
+ ATOM 53 C PTH 1 124.6 124.56 62.64 0.00 0.00
54
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55
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56
+ ATOM 56 C PTH 1 124.6 125.56 62.64 0.00 0.00
57
+ ATOM 57 C PTH 1 124.6 125.56 63.64 0.00 0.00
58
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59
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60
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61
+ ATOM 61 C PTH 1 124.6 126.56 63.64 0.00 0.00
62
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63
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64
+ ATOM 64 C PTH 1 124.6 126.56 66.64 0.00 0.00
65
+ ATOM 65 C PTH 1 124.6 127.56 62.64 0.00 0.00
66
+ ATOM 66 C PTH 1 124.6 127.56 63.64 0.00 0.00
67
+ ATOM 67 C PTH 1 124.6 127.56 64.64 0.00 0.00
68
+ ATOM 68 C PTH 1 124.6 127.56 65.64 0.00 0.00
69
+ ATOM 69 C PTH 1 124.6 127.56 66.64 0.00 0.00
70
+ ATOM 70 C PTH 1 124.6 128.56 63.64 0.00 0.00
71
+ ATOM 71 C PTH 1 124.6 128.56 64.64 0.00 0.00
72
+ ATOM 72 C PTH 1 124.6 128.56 65.64 0.00 0.00
73
+ ATOM 73 C PTH 1 124.6 128.56 66.64 0.00 0.00
74
+ ATOM 74 C PTH 1 124.6 128.56 67.64 0.00 0.00
75
+ ATOM 75 C PTH 1 125.6 123.56 62.64 0.00 0.00
76
+ ATOM 76 C PTH 1 125.6 123.56 63.64 0.00 0.00
77
+ ATOM 77 C PTH 1 125.6 123.56 64.64 0.00 0.00
78
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79
+ ATOM 79 C PTH 1 125.6 124.56 62.64 0.00 0.00
80
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81
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82
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83
+ ATOM 83 C PTH 1 125.6 125.56 61.64 0.00 0.00
84
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85
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86
+ ATOM 86 C PTH 1 125.6 125.56 64.64 0.00 0.00
87
+ ATOM 87 C PTH 1 125.6 125.56 65.64 0.00 0.00
88
+ ATOM 88 C PTH 1 125.6 125.56 66.64 0.00 0.00
89
+ ATOM 89 C PTH 1 125.6 126.56 62.64 0.00 0.00
90
+ ATOM 90 C PTH 1 125.6 126.56 63.64 0.00 0.00
91
+ ATOM 91 C PTH 1 125.6 126.56 64.64 0.00 0.00
92
+ ATOM 92 C PTH 1 125.6 126.56 65.64 0.00 0.00
93
+ ATOM 93 C PTH 1 125.6 126.56 66.64 0.00 0.00
94
+ ATOM 94 C PTH 1 125.6 127.56 62.64 0.00 0.00
95
+ ATOM 95 C PTH 1 125.6 127.56 63.64 0.00 0.00
96
+ ATOM 96 C PTH 1 125.6 127.56 64.64 0.00 0.00
97
+ ATOM 97 C PTH 1 125.6 127.56 65.64 0.00 0.00
98
+ ATOM 98 C PTH 1 125.6 127.56 66.64 0.00 0.00
99
+ ATOM 99 C PTH 1 125.6 128.56 63.64 0.00 0.00
100
+ ATOM 100 C PTH 1 125.6 128.56 64.64 0.00 0.00
101
+ ATOM 101 C PTH 1 125.6 128.56 65.64 0.00 0.00
102
+ ATOM 102 C PTH 1 125.6 128.56 66.64 0.00 0.00
103
+ ATOM 103 C PTH 1 126.6 123.56 62.64 0.00 0.00
104
+ ATOM 104 C PTH 1 126.6 123.56 63.64 0.00 0.00
105
+ ATOM 105 C PTH 1 126.6 123.56 64.64 0.00 0.00
106
+ ATOM 106 C PTH 1 126.6 124.56 61.64 0.00 0.00
107
+ ATOM 107 C PTH 1 126.6 124.56 62.64 0.00 0.00
108
+ ATOM 108 C PTH 1 126.6 124.56 63.64 0.00 0.00
109
+ ATOM 109 C PTH 1 126.6 124.56 64.64 0.00 0.00
110
+ ATOM 110 C PTH 1 126.6 124.56 65.64 0.00 0.00
111
+ ATOM 111 C PTH 1 126.6 125.56 61.64 0.00 0.00
112
+ ATOM 112 C PTH 1 126.6 125.56 62.64 0.00 0.00
113
+ ATOM 113 C PTH 1 126.6 125.56 63.64 0.00 0.00
114
+ ATOM 114 C PTH 1 126.6 125.56 64.64 0.00 0.00
115
+ ATOM 115 C PTH 1 126.6 125.56 65.64 0.00 0.00
116
+ ATOM 116 C PTH 1 126.6 125.56 66.64 0.00 0.00
117
+ ATOM 117 C PTH 1 126.6 126.56 61.64 0.00 0.00
118
+ ATOM 118 C PTH 1 126.6 126.56 62.64 0.00 0.00
119
+ ATOM 119 C PTH 1 126.6 126.56 63.64 0.00 0.00
120
+ ATOM 120 C PTH 1 126.6 126.56 64.64 0.00 0.00
121
+ ATOM 121 C PTH 1 126.6 126.56 65.64 0.00 0.00
122
+ ATOM 122 C PTH 1 126.6 126.56 66.64 0.00 0.00
123
+ ATOM 123 C PTH 1 126.6 127.56 63.64 0.00 0.00
124
+ ATOM 124 C PTH 1 126.6 127.56 64.64 0.00 0.00
125
+ ATOM 125 C PTH 1 126.6 127.56 65.64 0.00 0.00
126
+ ATOM 126 C PTH 1 126.6 127.56 66.64 0.00 0.00
127
+ ATOM 127 C PTH 1 127.6 123.56 62.64 0.00 0.00
128
+ ATOM 128 C PTH 1 127.6 123.56 63.64 0.00 0.00
129
+ ATOM 129 C PTH 1 127.6 123.56 64.64 0.00 0.00
130
+ ATOM 130 C PTH 1 127.6 124.56 61.64 0.00 0.00
131
+ ATOM 131 C PTH 1 127.6 124.56 62.64 0.00 0.00
132
+ ATOM 132 C PTH 1 127.6 124.56 63.64 0.00 0.00
133
+ ATOM 133 C PTH 1 127.6 124.56 64.64 0.00 0.00
134
+ ATOM 134 C PTH 1 127.6 124.56 65.64 0.00 0.00
135
+ ATOM 135 C PTH 1 127.6 125.56 61.64 0.00 0.00
136
+ ATOM 136 C PTH 1 127.6 125.56 62.64 0.00 0.00
137
+ ATOM 137 C PTH 1 127.6 125.56 63.64 0.00 0.00
138
+ ATOM 138 C PTH 1 127.6 125.56 64.64 0.00 0.00
139
+ ATOM 139 C PTH 1 127.6 125.56 65.64 0.00 0.00
140
+ ATOM 140 C PTH 1 127.6 125.56 66.64 0.00 0.00
141
+ ATOM 141 C PTH 1 127.6 126.56 62.64 0.00 0.00
142
+ ATOM 142 C PTH 1 127.6 126.56 63.64 0.00 0.00
143
+ ATOM 143 C PTH 1 127.6 126.56 64.64 0.00 0.00
144
+ ATOM 144 C PTH 1 127.6 126.56 65.64 0.00 0.00
145
+ ATOM 145 C PTH 1 127.6 126.56 66.64 0.00 0.00
146
+ ATOM 146 C PTH 1 127.6 127.56 64.64 0.00 0.00
147
+ ATOM 147 C PTH 1 127.6 127.56 65.64 0.00 0.00
148
+ ATOM 148 C PTH 1 127.6 127.56 66.64 0.00 0.00
149
+ ATOM 149 C PTH 1 128.6 123.56 63.64 0.00 0.00
150
+ ATOM 150 C PTH 1 128.6 123.56 64.64 0.00 0.00
151
+ ATOM 151 C PTH 1 128.6 124.56 62.64 0.00 0.00
152
+ ATOM 152 C PTH 1 128.6 124.56 63.64 0.00 0.00
153
+ ATOM 153 C PTH 1 128.6 124.56 64.64 0.00 0.00
154
+ ATOM 154 C PTH 1 128.6 124.56 65.64 0.00 0.00
155
+ ATOM 155 C PTH 1 128.6 125.56 62.64 0.00 0.00
156
+ ATOM 156 C PTH 1 128.6 125.56 63.64 0.00 0.00
157
+ ATOM 157 C PTH 1 128.6 125.56 64.64 0.00 0.00
158
+ ATOM 158 C PTH 1 128.6 125.56 65.64 0.00 0.00
159
+ ATOM 159 C PTH 1 128.6 125.56 66.64 0.00 0.00
160
+ ATOM 160 C PTH 1 128.6 126.56 62.64 0.00 0.00
161
+ ATOM 161 C PTH 1 128.6 126.56 63.64 0.00 0.00
162
+ ATOM 162 C PTH 1 128.6 126.56 64.64 0.00 0.00
163
+ ATOM 163 C PTH 1 128.6 126.56 65.64 0.00 0.00
164
+ ATOM 164 C PTH 1 128.6 126.56 66.64 0.00 0.00
165
+ ATOM 165 C PTH 1 129.6 124.56 64.64 0.00 0.00
166
+ ATOM 166 C PTH 1 129.6 125.56 64.64 0.00 0.00
data/files/A003I/pocket_06.pdb ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 102.6 81.56 34.64 0.00 0.00
2
+ ATOM 2 C PTH 1 102.6 82.56 33.64 0.00 0.00
3
+ ATOM 3 C PTH 1 102.6 82.56 34.64 0.00 0.00
4
+ ATOM 4 C PTH 1 102.6 83.56 32.64 0.00 0.00
5
+ ATOM 5 C PTH 1 102.6 83.56 33.64 0.00 0.00
6
+ ATOM 6 C PTH 1 102.6 83.56 34.64 0.00 0.00
7
+ ATOM 7 C PTH 1 102.6 84.56 32.64 0.00 0.00
8
+ ATOM 8 C PTH 1 102.6 84.56 33.64 0.00 0.00
9
+ ATOM 9 C PTH 1 103.6 80.56 34.64 0.00 0.00
10
+ ATOM 10 C PTH 1 103.6 80.56 35.64 0.00 0.00
11
+ ATOM 11 C PTH 1 103.6 80.56 36.64 0.00 0.00
12
+ ATOM 12 C PTH 1 103.6 81.56 32.64 0.00 0.00
13
+ ATOM 13 C PTH 1 103.6 81.56 33.64 0.00 0.00
14
+ ATOM 14 C PTH 1 103.6 81.56 34.64 0.00 0.00
15
+ ATOM 15 C PTH 1 103.6 81.56 35.64 0.00 0.00
16
+ ATOM 16 C PTH 1 103.6 82.56 31.64 0.00 0.00
17
+ ATOM 17 C PTH 1 103.6 82.56 32.64 0.00 0.00
18
+ ATOM 18 C PTH 1 103.6 82.56 33.64 0.00 0.00
19
+ ATOM 19 C PTH 1 103.6 82.56 34.64 0.00 0.00
20
+ ATOM 20 C PTH 1 103.6 82.56 35.64 0.00 0.00
21
+ ATOM 21 C PTH 1 103.6 82.56 36.64 0.00 0.00
22
+ ATOM 22 C PTH 1 103.6 83.56 31.64 0.00 0.00
23
+ ATOM 23 C PTH 1 103.6 83.56 32.64 0.00 0.00
24
+ ATOM 24 C PTH 1 103.6 83.56 33.64 0.00 0.00
25
+ ATOM 25 C PTH 1 103.6 83.56 34.64 0.00 0.00
26
+ ATOM 26 C PTH 1 103.6 83.56 35.64 0.00 0.00
27
+ ATOM 27 C PTH 1 103.6 84.56 31.64 0.00 0.00
28
+ ATOM 28 C PTH 1 103.6 84.56 32.64 0.00 0.00
29
+ ATOM 29 C PTH 1 103.6 84.56 33.64 0.00 0.00
30
+ ATOM 30 C PTH 1 103.6 84.56 34.64 0.00 0.00
31
+ ATOM 31 C PTH 1 103.6 85.56 32.64 0.00 0.00
32
+ ATOM 32 C PTH 1 103.6 85.56 33.64 0.00 0.00
33
+ ATOM 33 C PTH 1 104.6 80.56 34.64 0.00 0.00
34
+ ATOM 34 C PTH 1 104.6 80.56 35.64 0.00 0.00
35
+ ATOM 35 C PTH 1 104.6 80.56 36.64 0.00 0.00
36
+ ATOM 36 C PTH 1 104.6 81.56 32.64 0.00 0.00
37
+ ATOM 37 C PTH 1 104.6 81.56 33.64 0.00 0.00
38
+ ATOM 38 C PTH 1 104.6 81.56 34.64 0.00 0.00
39
+ ATOM 39 C PTH 1 104.6 81.56 35.64 0.00 0.00
40
+ ATOM 40 C PTH 1 104.6 81.56 36.64 0.00 0.00
41
+ ATOM 41 C PTH 1 104.6 81.56 37.64 0.00 0.00
42
+ ATOM 42 C PTH 1 104.6 82.56 31.64 0.00 0.00
43
+ ATOM 43 C PTH 1 104.6 82.56 32.64 0.00 0.00
44
+ ATOM 44 C PTH 1 104.6 82.56 33.64 0.00 0.00
45
+ ATOM 45 C PTH 1 104.6 82.56 34.64 0.00 0.00
46
+ ATOM 46 C PTH 1 104.6 82.56 35.64 0.00 0.00
47
+ ATOM 47 C PTH 1 104.6 82.56 36.64 0.00 0.00
48
+ ATOM 48 C PTH 1 104.6 83.56 31.64 0.00 0.00
49
+ ATOM 49 C PTH 1 104.6 83.56 32.64 0.00 0.00
50
+ ATOM 50 C PTH 1 104.6 83.56 33.64 0.00 0.00
51
+ ATOM 51 C PTH 1 104.6 83.56 34.64 0.00 0.00
52
+ ATOM 52 C PTH 1 104.6 83.56 35.64 0.00 0.00
53
+ ATOM 53 C PTH 1 104.6 83.56 36.64 0.00 0.00
54
+ ATOM 54 C PTH 1 104.6 84.56 31.64 0.00 0.00
55
+ ATOM 55 C PTH 1 104.6 84.56 32.64 0.00 0.00
56
+ ATOM 56 C PTH 1 104.6 84.56 33.64 0.00 0.00
57
+ ATOM 57 C PTH 1 104.6 84.56 34.64 0.00 0.00
58
+ ATOM 58 C PTH 1 104.6 84.56 35.64 0.00 0.00
59
+ ATOM 59 C PTH 1 104.6 85.56 31.64 0.00 0.00
60
+ ATOM 60 C PTH 1 104.6 85.56 32.64 0.00 0.00
61
+ ATOM 61 C PTH 1 104.6 85.56 33.64 0.00 0.00
62
+ ATOM 62 C PTH 1 104.6 85.56 34.64 0.00 0.00
63
+ ATOM 63 C PTH 1 105.6 80.56 36.64 0.00 0.00
64
+ ATOM 64 C PTH 1 105.6 81.56 32.64 0.00 0.00
65
+ ATOM 65 C PTH 1 105.6 81.56 33.64 0.00 0.00
66
+ ATOM 66 C PTH 1 105.6 81.56 34.64 0.00 0.00
67
+ ATOM 67 C PTH 1 105.6 81.56 35.64 0.00 0.00
68
+ ATOM 68 C PTH 1 105.6 81.56 36.64 0.00 0.00
69
+ ATOM 69 C PTH 1 105.6 81.56 37.64 0.00 0.00
70
+ ATOM 70 C PTH 1 105.6 82.56 32.64 0.00 0.00
71
+ ATOM 71 C PTH 1 105.6 82.56 33.64 0.00 0.00
72
+ ATOM 72 C PTH 1 105.6 82.56 34.64 0.00 0.00
73
+ ATOM 73 C PTH 1 105.6 82.56 35.64 0.00 0.00
74
+ ATOM 74 C PTH 1 105.6 82.56 36.64 0.00 0.00
75
+ ATOM 75 C PTH 1 105.6 82.56 37.64 0.00 0.00
76
+ ATOM 76 C PTH 1 105.6 83.56 31.64 0.00 0.00
77
+ ATOM 77 C PTH 1 105.6 83.56 32.64 0.00 0.00
78
+ ATOM 78 C PTH 1 105.6 83.56 33.64 0.00 0.00
79
+ ATOM 79 C PTH 1 105.6 83.56 34.64 0.00 0.00
80
+ ATOM 80 C PTH 1 105.6 83.56 35.64 0.00 0.00
81
+ ATOM 81 C PTH 1 105.6 83.56 36.64 0.00 0.00
82
+ ATOM 82 C PTH 1 105.6 84.56 31.64 0.00 0.00
83
+ ATOM 83 C PTH 1 105.6 84.56 32.64 0.00 0.00
84
+ ATOM 84 C PTH 1 105.6 84.56 33.64 0.00 0.00
85
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86
+ ATOM 86 C PTH 1 105.6 84.56 35.64 0.00 0.00
87
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88
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89
+ ATOM 89 C PTH 1 105.6 85.56 33.64 0.00 0.00
90
+ ATOM 90 C PTH 1 105.6 85.56 34.64 0.00 0.00
91
+ ATOM 91 C PTH 1 106.6 81.56 33.64 0.00 0.00
92
+ ATOM 92 C PTH 1 106.6 81.56 34.64 0.00 0.00
93
+ ATOM 93 C PTH 1 106.6 81.56 35.64 0.00 0.00
94
+ ATOM 94 C PTH 1 106.6 81.56 36.64 0.00 0.00
95
+ ATOM 95 C PTH 1 106.6 81.56 37.64 0.00 0.00
96
+ ATOM 96 C PTH 1 106.6 82.56 32.64 0.00 0.00
97
+ ATOM 97 C PTH 1 106.6 82.56 33.64 0.00 0.00
98
+ ATOM 98 C PTH 1 106.6 82.56 34.64 0.00 0.00
99
+ ATOM 99 C PTH 1 106.6 82.56 35.64 0.00 0.00
100
+ ATOM 100 C PTH 1 106.6 82.56 36.64 0.00 0.00
101
+ ATOM 101 C PTH 1 106.6 82.56 37.64 0.00 0.00
102
+ ATOM 102 C PTH 1 106.6 83.56 32.64 0.00 0.00
103
+ ATOM 103 C PTH 1 106.6 83.56 33.64 0.00 0.00
104
+ ATOM 104 C PTH 1 106.6 83.56 34.64 0.00 0.00
105
+ ATOM 105 C PTH 1 106.6 83.56 35.64 0.00 0.00
106
+ ATOM 106 C PTH 1 106.6 83.56 36.64 0.00 0.00
107
+ ATOM 107 C PTH 1 106.6 83.56 37.64 0.00 0.00
108
+ ATOM 108 C PTH 1 106.6 84.56 32.64 0.00 0.00
109
+ ATOM 109 C PTH 1 106.6 84.56 33.64 0.00 0.00
110
+ ATOM 110 C PTH 1 106.6 84.56 34.64 0.00 0.00
111
+ ATOM 111 C PTH 1 106.6 85.56 32.64 0.00 0.00
112
+ ATOM 112 C PTH 1 106.6 85.56 33.64 0.00 0.00
113
+ ATOM 113 C PTH 1 107.6 82.56 33.64 0.00 0.00
114
+ ATOM 114 C PTH 1 107.6 82.56 34.64 0.00 0.00
115
+ ATOM 115 C PTH 1 107.6 82.56 35.64 0.00 0.00
116
+ ATOM 116 C PTH 1 107.6 82.56 36.64 0.00 0.00
117
+ ATOM 117 C PTH 1 107.6 82.56 37.64 0.00 0.00
118
+ ATOM 118 C PTH 1 107.6 83.56 33.64 0.00 0.00
119
+ ATOM 119 C PTH 1 107.6 83.56 34.64 0.00 0.00
120
+ ATOM 120 C PTH 1 107.6 83.56 35.64 0.00 0.00
121
+ ATOM 121 C PTH 1 107.6 83.56 36.64 0.00 0.00
122
+ ATOM 122 C PTH 1 107.6 84.56 33.64 0.00 0.00
123
+ ATOM 123 C PTH 1 107.6 84.56 34.64 0.00 0.00
124
+ ATOM 124 C PTH 1 107.6 85.56 32.64 0.00 0.00
125
+ ATOM 125 C PTH 1 107.6 85.56 33.64 0.00 0.00
data/files/A003I/pocket_08.pdb ADDED
@@ -0,0 +1,76 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 107.6 108.56 47.64 0.00 0.00
2
+ ATOM 2 C PTH 1 107.6 108.56 48.64 0.00 0.00
3
+ ATOM 3 C PTH 1 107.6 108.56 49.64 0.00 0.00
4
+ ATOM 4 C PTH 1 107.6 109.56 47.64 0.00 0.00
5
+ ATOM 5 C PTH 1 107.6 109.56 48.64 0.00 0.00
6
+ ATOM 6 C PTH 1 107.6 109.56 49.64 0.00 0.00
7
+ ATOM 7 C PTH 1 107.6 109.56 50.64 0.00 0.00
8
+ ATOM 8 C PTH 1 107.6 110.56 49.64 0.00 0.00
9
+ ATOM 9 C PTH 1 108.6 107.56 47.64 0.00 0.00
10
+ ATOM 10 C PTH 1 108.6 107.56 48.64 0.00 0.00
11
+ ATOM 11 C PTH 1 108.6 107.56 49.64 0.00 0.00
12
+ ATOM 12 C PTH 1 108.6 108.56 46.64 0.00 0.00
13
+ ATOM 13 C PTH 1 108.6 108.56 47.64 0.00 0.00
14
+ ATOM 14 C PTH 1 108.6 108.56 48.64 0.00 0.00
15
+ ATOM 15 C PTH 1 108.6 108.56 49.64 0.00 0.00
16
+ ATOM 16 C PTH 1 108.6 109.56 46.64 0.00 0.00
17
+ ATOM 17 C PTH 1 108.6 109.56 47.64 0.00 0.00
18
+ ATOM 18 C PTH 1 108.6 109.56 48.64 0.00 0.00
19
+ ATOM 19 C PTH 1 108.6 109.56 49.64 0.00 0.00
20
+ ATOM 20 C PTH 1 108.6 109.56 50.64 0.00 0.00
21
+ ATOM 21 C PTH 1 108.6 110.56 47.64 0.00 0.00
22
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23
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25
+ ATOM 25 C PTH 1 109.6 106.56 47.64 0.00 0.00
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27
+ ATOM 27 C PTH 1 109.6 106.56 49.64 0.00 0.00
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+ ATOM 28 C PTH 1 109.6 107.56 46.64 0.00 0.00
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+ ATOM 29 C PTH 1 109.6 107.56 47.64 0.00 0.00
30
+ ATOM 30 C PTH 1 109.6 107.56 48.64 0.00 0.00
31
+ ATOM 31 C PTH 1 109.6 107.56 49.64 0.00 0.00
32
+ ATOM 32 C PTH 1 109.6 108.56 46.64 0.00 0.00
33
+ ATOM 33 C PTH 1 109.6 108.56 47.64 0.00 0.00
34
+ ATOM 34 C PTH 1 109.6 108.56 48.64 0.00 0.00
35
+ ATOM 35 C PTH 1 109.6 108.56 49.64 0.00 0.00
36
+ ATOM 36 C PTH 1 109.6 109.56 46.64 0.00 0.00
37
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38
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39
+ ATOM 39 C PTH 1 109.6 109.56 49.64 0.00 0.00
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41
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42
+ ATOM 42 C PTH 1 109.6 110.56 48.64 0.00 0.00
43
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44
+ ATOM 44 C PTH 1 109.6 110.56 50.64 0.00 0.00
45
+ ATOM 45 C PTH 1 110.6 106.56 47.64 0.00 0.00
46
+ ATOM 46 C PTH 1 110.6 106.56 48.64 0.00 0.00
47
+ ATOM 47 C PTH 1 110.6 106.56 49.64 0.00 0.00
48
+ ATOM 48 C PTH 1 110.6 107.56 46.64 0.00 0.00
49
+ ATOM 49 C PTH 1 110.6 107.56 47.64 0.00 0.00
50
+ ATOM 50 C PTH 1 110.6 107.56 48.64 0.00 0.00
51
+ ATOM 51 C PTH 1 110.6 107.56 49.64 0.00 0.00
52
+ ATOM 52 C PTH 1 110.6 108.56 46.64 0.00 0.00
53
+ ATOM 53 C PTH 1 110.6 108.56 47.64 0.00 0.00
54
+ ATOM 54 C PTH 1 110.6 108.56 48.64 0.00 0.00
55
+ ATOM 55 C PTH 1 110.6 108.56 49.64 0.00 0.00
56
+ ATOM 56 C PTH 1 110.6 109.56 47.64 0.00 0.00
57
+ ATOM 57 C PTH 1 110.6 109.56 48.64 0.00 0.00
58
+ ATOM 58 C PTH 1 110.6 109.56 49.64 0.00 0.00
59
+ ATOM 59 C PTH 1 110.6 110.56 48.64 0.00 0.00
60
+ ATOM 60 C PTH 1 111.6 106.56 47.64 0.00 0.00
61
+ ATOM 61 C PTH 1 111.6 106.56 48.64 0.00 0.00
62
+ ATOM 62 C PTH 1 111.6 106.56 49.64 0.00 0.00
63
+ ATOM 63 C PTH 1 111.6 107.56 47.64 0.00 0.00
64
+ ATOM 64 C PTH 1 111.6 107.56 48.64 0.00 0.00
65
+ ATOM 65 C PTH 1 111.6 107.56 49.64 0.00 0.00
66
+ ATOM 66 C PTH 1 111.6 108.56 47.64 0.00 0.00
67
+ ATOM 67 C PTH 1 111.6 108.56 48.64 0.00 0.00
68
+ ATOM 68 C PTH 1 111.6 108.56 49.64 0.00 0.00
69
+ ATOM 69 C PTH 1 111.6 109.56 47.64 0.00 0.00
70
+ ATOM 70 C PTH 1 111.6 109.56 48.64 0.00 0.00
71
+ ATOM 71 C PTH 1 112.6 106.56 47.64 0.00 0.00
72
+ ATOM 72 C PTH 1 112.6 106.56 48.64 0.00 0.00
73
+ ATOM 73 C PTH 1 112.6 106.56 49.64 0.00 0.00
74
+ ATOM 74 C PTH 1 112.6 107.56 47.64 0.00 0.00
75
+ ATOM 75 C PTH 1 112.6 107.56 48.64 0.00 0.00
76
+ ATOM 76 C PTH 1 112.6 108.56 48.64 0.00 0.00
data/files/A003I/pocket_09.pdb ADDED
@@ -0,0 +1,70 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 117.6 101.56 49.64 0.00 0.00
2
+ ATOM 2 C PTH 1 117.6 101.56 50.64 0.00 0.00
3
+ ATOM 3 C PTH 1 117.6 102.56 48.64 0.00 0.00
4
+ ATOM 4 C PTH 1 117.6 102.56 49.64 0.00 0.00
5
+ ATOM 5 C PTH 1 117.6 102.56 50.64 0.00 0.00
6
+ ATOM 6 C PTH 1 117.6 102.56 51.64 0.00 0.00
7
+ ATOM 7 C PTH 1 117.6 103.56 48.64 0.00 0.00
8
+ ATOM 8 C PTH 1 117.6 103.56 49.64 0.00 0.00
9
+ ATOM 9 C PTH 1 117.6 103.56 50.64 0.00 0.00
10
+ ATOM 10 C PTH 1 117.6 103.56 51.64 0.00 0.00
11
+ ATOM 11 C PTH 1 117.6 104.56 48.64 0.00 0.00
12
+ ATOM 12 C PTH 1 117.6 104.56 49.64 0.00 0.00
13
+ ATOM 13 C PTH 1 117.6 104.56 50.64 0.00 0.00
14
+ ATOM 14 C PTH 1 118.6 101.56 49.64 0.00 0.00
15
+ ATOM 15 C PTH 1 118.6 101.56 50.64 0.00 0.00
16
+ ATOM 16 C PTH 1 118.6 101.56 51.64 0.00 0.00
17
+ ATOM 17 C PTH 1 118.6 101.56 52.64 0.00 0.00
18
+ ATOM 18 C PTH 1 118.6 102.56 49.64 0.00 0.00
19
+ ATOM 19 C PTH 1 118.6 102.56 50.64 0.00 0.00
20
+ ATOM 20 C PTH 1 118.6 102.56 51.64 0.00 0.00
21
+ ATOM 21 C PTH 1 118.6 102.56 52.64 0.00 0.00
22
+ ATOM 22 C PTH 1 118.6 103.56 48.64 0.00 0.00
23
+ ATOM 23 C PTH 1 118.6 103.56 49.64 0.00 0.00
24
+ ATOM 24 C PTH 1 118.6 103.56 50.64 0.00 0.00
25
+ ATOM 25 C PTH 1 118.6 103.56 51.64 0.00 0.00
26
+ ATOM 26 C PTH 1 118.6 104.56 48.64 0.00 0.00
27
+ ATOM 27 C PTH 1 118.6 104.56 49.64 0.00 0.00
28
+ ATOM 28 C PTH 1 118.6 104.56 50.64 0.00 0.00
29
+ ATOM 29 C PTH 1 119.6 101.56 49.64 0.00 0.00
30
+ ATOM 30 C PTH 1 119.6 101.56 50.64 0.00 0.00
31
+ ATOM 31 C PTH 1 119.6 101.56 51.64 0.00 0.00
32
+ ATOM 32 C PTH 1 119.6 101.56 52.64 0.00 0.00
33
+ ATOM 33 C PTH 1 119.6 102.56 49.64 0.00 0.00
34
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70
+ ATOM 70 C PTH 1 121.6 104.56 51.64 0.00 0.00
data/files/A003I/pocket_10.pdb ADDED
@@ -0,0 +1,68 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 117.6 97.56 57.64 0.00 0.00
2
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3
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+ ATOM 68 C PTH 1 121.6 101.56 59.64 0.00 0.00
data/files/A003I/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A0042/pocket_01.pdb ADDED
@@ -0,0 +1,309 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 76.42 69.24 31.07 0.00 0.00
2
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3
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92
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111
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+ ATOM 169 C PTH 1 78.42 78.24 34.07 0.00 0.00
170
+ ATOM 170 C PTH 1 78.42 78.24 35.07 0.00 0.00
171
+ ATOM 171 C PTH 1 78.42 78.24 36.07 0.00 0.00
172
+ ATOM 172 C PTH 1 78.42 78.24 37.07 0.00 0.00
173
+ ATOM 173 C PTH 1 78.42 79.24 33.07 0.00 0.00
174
+ ATOM 174 C PTH 1 78.42 79.24 34.07 0.00 0.00
175
+ ATOM 175 C PTH 1 78.42 79.24 35.07 0.00 0.00
176
+ ATOM 176 C PTH 1 78.42 79.24 36.07 0.00 0.00
177
+ ATOM 177 C PTH 1 78.42 79.24 37.07 0.00 0.00
178
+ ATOM 178 C PTH 1 78.42 80.24 33.07 0.00 0.00
179
+ ATOM 179 C PTH 1 78.42 80.24 34.07 0.00 0.00
180
+ ATOM 180 C PTH 1 78.42 80.24 35.07 0.00 0.00
181
+ ATOM 181 C PTH 1 78.42 80.24 36.07 0.00 0.00
182
+ ATOM 182 C PTH 1 78.42 80.24 37.07 0.00 0.00
183
+ ATOM 183 C PTH 1 78.42 81.24 33.07 0.00 0.00
184
+ ATOM 184 C PTH 1 78.42 81.24 34.07 0.00 0.00
185
+ ATOM 185 C PTH 1 78.42 81.24 35.07 0.00 0.00
186
+ ATOM 186 C PTH 1 78.42 81.24 36.07 0.00 0.00
187
+ ATOM 187 C PTH 1 78.42 81.24 37.07 0.00 0.00
188
+ ATOM 188 C PTH 1 78.42 82.24 34.07 0.00 0.00
189
+ ATOM 189 C PTH 1 78.42 82.24 35.07 0.00 0.00
190
+ ATOM 190 C PTH 1 78.42 82.24 36.07 0.00 0.00
191
+ ATOM 191 C PTH 1 78.42 82.24 37.07 0.00 0.00
192
+ ATOM 192 C PTH 1 78.42 83.24 35.07 0.00 0.00
193
+ ATOM 193 C PTH 1 79.42 69.24 32.07 0.00 0.00
194
+ ATOM 194 C PTH 1 79.42 70.24 31.07 0.00 0.00
195
+ ATOM 195 C PTH 1 79.42 70.24 32.07 0.00 0.00
196
+ ATOM 196 C PTH 1 79.42 70.24 33.07 0.00 0.00
197
+ ATOM 197 C PTH 1 79.42 71.24 31.07 0.00 0.00
198
+ ATOM 198 C PTH 1 79.42 71.24 32.07 0.00 0.00
199
+ ATOM 199 C PTH 1 79.42 71.24 33.07 0.00 0.00
200
+ ATOM 200 C PTH 1 79.42 71.24 34.07 0.00 0.00
201
+ ATOM 201 C PTH 1 79.42 72.24 31.07 0.00 0.00
202
+ ATOM 202 C PTH 1 79.42 72.24 32.07 0.00 0.00
203
+ ATOM 203 C PTH 1 79.42 72.24 33.07 0.00 0.00
204
+ ATOM 204 C PTH 1 79.42 72.24 34.07 0.00 0.00
205
+ ATOM 205 C PTH 1 79.42 73.24 31.07 0.00 0.00
206
+ ATOM 206 C PTH 1 79.42 73.24 32.07 0.00 0.00
207
+ ATOM 207 C PTH 1 79.42 73.24 33.07 0.00 0.00
208
+ ATOM 208 C PTH 1 79.42 73.24 34.07 0.00 0.00
209
+ ATOM 209 C PTH 1 79.42 74.24 31.07 0.00 0.00
210
+ ATOM 210 C PTH 1 79.42 74.24 32.07 0.00 0.00
211
+ ATOM 211 C PTH 1 79.42 74.24 33.07 0.00 0.00
212
+ ATOM 212 C PTH 1 79.42 74.24 34.07 0.00 0.00
213
+ ATOM 213 C PTH 1 79.42 74.24 35.07 0.00 0.00
214
+ ATOM 214 C PTH 1 79.42 75.24 32.07 0.00 0.00
215
+ ATOM 215 C PTH 1 79.42 75.24 33.07 0.00 0.00
216
+ ATOM 216 C PTH 1 79.42 75.24 34.07 0.00 0.00
217
+ ATOM 217 C PTH 1 79.42 75.24 35.07 0.00 0.00
218
+ ATOM 218 C PTH 1 79.42 75.24 36.07 0.00 0.00
219
+ ATOM 219 C PTH 1 79.42 76.24 33.07 0.00 0.00
220
+ ATOM 220 C PTH 1 79.42 76.24 34.07 0.00 0.00
221
+ ATOM 221 C PTH 1 79.42 76.24 35.07 0.00 0.00
222
+ ATOM 222 C PTH 1 79.42 76.24 36.07 0.00 0.00
223
+ ATOM 223 C PTH 1 79.42 76.24 37.07 0.00 0.00
224
+ ATOM 224 C PTH 1 79.42 77.24 33.07 0.00 0.00
225
+ ATOM 225 C PTH 1 79.42 77.24 34.07 0.00 0.00
226
+ ATOM 226 C PTH 1 79.42 77.24 35.07 0.00 0.00
227
+ ATOM 227 C PTH 1 79.42 77.24 36.07 0.00 0.00
228
+ ATOM 228 C PTH 1 79.42 77.24 37.07 0.00 0.00
229
+ ATOM 229 C PTH 1 79.42 78.24 33.07 0.00 0.00
230
+ ATOM 230 C PTH 1 79.42 78.24 34.07 0.00 0.00
231
+ ATOM 231 C PTH 1 79.42 78.24 35.07 0.00 0.00
232
+ ATOM 232 C PTH 1 79.42 78.24 36.07 0.00 0.00
233
+ ATOM 233 C PTH 1 79.42 78.24 37.07 0.00 0.00
234
+ ATOM 234 C PTH 1 79.42 79.24 33.07 0.00 0.00
235
+ ATOM 235 C PTH 1 79.42 79.24 34.07 0.00 0.00
236
+ ATOM 236 C PTH 1 79.42 79.24 35.07 0.00 0.00
237
+ ATOM 237 C PTH 1 79.42 79.24 36.07 0.00 0.00
238
+ ATOM 238 C PTH 1 79.42 79.24 37.07 0.00 0.00
239
+ ATOM 239 C PTH 1 79.42 80.24 33.07 0.00 0.00
240
+ ATOM 240 C PTH 1 79.42 80.24 34.07 0.00 0.00
241
+ ATOM 241 C PTH 1 79.42 80.24 35.07 0.00 0.00
242
+ ATOM 242 C PTH 1 79.42 80.24 36.07 0.00 0.00
243
+ ATOM 243 C PTH 1 79.42 80.24 37.07 0.00 0.00
244
+ ATOM 244 C PTH 1 79.42 81.24 33.07 0.00 0.00
245
+ ATOM 245 C PTH 1 79.42 81.24 34.07 0.00 0.00
246
+ ATOM 246 C PTH 1 79.42 81.24 35.07 0.00 0.00
247
+ ATOM 247 C PTH 1 79.42 81.24 36.07 0.00 0.00
248
+ ATOM 248 C PTH 1 79.42 81.24 37.07 0.00 0.00
249
+ ATOM 249 C PTH 1 79.42 81.24 38.07 0.00 0.00
250
+ ATOM 250 C PTH 1 79.42 82.24 34.07 0.00 0.00
251
+ ATOM 251 C PTH 1 79.42 82.24 35.07 0.00 0.00
252
+ ATOM 252 C PTH 1 79.42 82.24 36.07 0.00 0.00
253
+ ATOM 253 C PTH 1 79.42 82.24 37.07 0.00 0.00
254
+ ATOM 254 C PTH 1 79.42 83.24 35.07 0.00 0.00
255
+ ATOM 255 C PTH 1 79.42 83.24 36.07 0.00 0.00
256
+ ATOM 256 C PTH 1 80.42 71.24 32.07 0.00 0.00
257
+ ATOM 257 C PTH 1 80.42 71.24 33.07 0.00 0.00
258
+ ATOM 258 C PTH 1 80.42 72.24 31.07 0.00 0.00
259
+ ATOM 259 C PTH 1 80.42 72.24 32.07 0.00 0.00
260
+ ATOM 260 C PTH 1 80.42 72.24 33.07 0.00 0.00
261
+ ATOM 261 C PTH 1 80.42 72.24 34.07 0.00 0.00
262
+ ATOM 262 C PTH 1 80.42 73.24 31.07 0.00 0.00
263
+ ATOM 263 C PTH 1 80.42 73.24 32.07 0.00 0.00
264
+ ATOM 264 C PTH 1 80.42 73.24 33.07 0.00 0.00
265
+ ATOM 265 C PTH 1 80.42 73.24 34.07 0.00 0.00
266
+ ATOM 266 C PTH 1 80.42 74.24 32.07 0.00 0.00
267
+ ATOM 267 C PTH 1 80.42 74.24 33.07 0.00 0.00
268
+ ATOM 268 C PTH 1 80.42 74.24 34.07 0.00 0.00
269
+ ATOM 269 C PTH 1 80.42 75.24 33.07 0.00 0.00
270
+ ATOM 270 C PTH 1 80.42 75.24 34.07 0.00 0.00
271
+ ATOM 271 C PTH 1 80.42 76.24 33.07 0.00 0.00
272
+ ATOM 272 C PTH 1 80.42 76.24 34.07 0.00 0.00
273
+ ATOM 273 C PTH 1 80.42 76.24 35.07 0.00 0.00
274
+ ATOM 274 C PTH 1 80.42 76.24 36.07 0.00 0.00
275
+ ATOM 275 C PTH 1 80.42 77.24 34.07 0.00 0.00
276
+ ATOM 276 C PTH 1 80.42 77.24 35.07 0.00 0.00
277
+ ATOM 277 C PTH 1 80.42 77.24 36.07 0.00 0.00
278
+ ATOM 278 C PTH 1 80.42 78.24 34.07 0.00 0.00
279
+ ATOM 279 C PTH 1 80.42 78.24 35.07 0.00 0.00
280
+ ATOM 280 C PTH 1 80.42 78.24 36.07 0.00 0.00
281
+ ATOM 281 C PTH 1 80.42 78.24 37.07 0.00 0.00
282
+ ATOM 282 C PTH 1 80.42 79.24 33.07 0.00 0.00
283
+ ATOM 283 C PTH 1 80.42 79.24 34.07 0.00 0.00
284
+ ATOM 284 C PTH 1 80.42 79.24 35.07 0.00 0.00
285
+ ATOM 285 C PTH 1 80.42 79.24 36.07 0.00 0.00
286
+ ATOM 286 C PTH 1 80.42 79.24 37.07 0.00 0.00
287
+ ATOM 287 C PTH 1 80.42 80.24 34.07 0.00 0.00
288
+ ATOM 288 C PTH 1 80.42 80.24 35.07 0.00 0.00
289
+ ATOM 289 C PTH 1 80.42 80.24 36.07 0.00 0.00
290
+ ATOM 290 C PTH 1 80.42 80.24 37.07 0.00 0.00
291
+ ATOM 291 C PTH 1 80.42 81.24 34.07 0.00 0.00
292
+ ATOM 292 C PTH 1 80.42 81.24 35.07 0.00 0.00
293
+ ATOM 293 C PTH 1 80.42 81.24 36.07 0.00 0.00
294
+ ATOM 294 C PTH 1 80.42 81.24 37.07 0.00 0.00
295
+ ATOM 295 C PTH 1 80.42 82.24 35.07 0.00 0.00
296
+ ATOM 296 C PTH 1 80.42 82.24 36.07 0.00 0.00
297
+ ATOM 297 C PTH 1 81.42 78.24 34.07 0.00 0.00
298
+ ATOM 298 C PTH 1 81.42 78.24 35.07 0.00 0.00
299
+ ATOM 299 C PTH 1 81.42 78.24 36.07 0.00 0.00
300
+ ATOM 300 C PTH 1 81.42 79.24 34.07 0.00 0.00
301
+ ATOM 301 C PTH 1 81.42 79.24 35.07 0.00 0.00
302
+ ATOM 302 C PTH 1 81.42 79.24 36.07 0.00 0.00
303
+ ATOM 303 C PTH 1 81.42 80.24 34.07 0.00 0.00
304
+ ATOM 304 C PTH 1 81.42 80.24 35.07 0.00 0.00
305
+ ATOM 305 C PTH 1 81.42 80.24 36.07 0.00 0.00
306
+ ATOM 306 C PTH 1 81.42 80.24 37.07 0.00 0.00
307
+ ATOM 307 C PTH 1 81.42 81.24 35.07 0.00 0.00
308
+ ATOM 308 C PTH 1 81.42 81.24 36.07 0.00 0.00
309
+ ATOM 309 C PTH 1 81.42 81.24 37.07 0.00 0.00
data/files/A0042/pocket_03.pdb ADDED
@@ -0,0 +1,205 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 68.42 61.24 32.07 0.00 0.00
2
+ ATOM 2 C PTH 1 68.42 62.24 31.07 0.00 0.00
3
+ ATOM 3 C PTH 1 68.42 62.24 32.07 0.00 0.00
4
+ ATOM 4 C PTH 1 68.42 62.24 33.07 0.00 0.00
5
+ ATOM 5 C PTH 1 68.42 63.24 32.07 0.00 0.00
6
+ ATOM 6 C PTH 1 68.42 63.24 33.07 0.00 0.00
7
+ ATOM 7 C PTH 1 69.42 59.24 32.07 0.00 0.00
8
+ ATOM 8 C PTH 1 69.42 60.24 31.07 0.00 0.00
9
+ ATOM 9 C PTH 1 69.42 60.24 32.07 0.00 0.00
10
+ ATOM 10 C PTH 1 69.42 60.24 33.07 0.00 0.00
11
+ ATOM 11 C PTH 1 69.42 60.24 34.07 0.00 0.00
12
+ ATOM 12 C PTH 1 69.42 61.24 31.07 0.00 0.00
13
+ ATOM 13 C PTH 1 69.42 61.24 32.07 0.00 0.00
14
+ ATOM 14 C PTH 1 69.42 61.24 33.07 0.00 0.00
15
+ ATOM 15 C PTH 1 69.42 61.24 34.07 0.00 0.00
16
+ ATOM 16 C PTH 1 69.42 62.24 31.07 0.00 0.00
17
+ ATOM 17 C PTH 1 69.42 62.24 32.07 0.00 0.00
18
+ ATOM 18 C PTH 1 69.42 62.24 33.07 0.00 0.00
19
+ ATOM 19 C PTH 1 69.42 62.24 34.07 0.00 0.00
20
+ ATOM 20 C PTH 1 69.42 62.24 35.07 0.00 0.00
21
+ ATOM 21 C PTH 1 69.42 63.24 31.07 0.00 0.00
22
+ ATOM 22 C PTH 1 69.42 63.24 32.07 0.00 0.00
23
+ ATOM 23 C PTH 1 69.42 63.24 33.07 0.00 0.00
24
+ ATOM 24 C PTH 1 69.42 63.24 34.07 0.00 0.00
25
+ ATOM 25 C PTH 1 69.42 63.24 35.07 0.00 0.00
26
+ ATOM 26 C PTH 1 69.42 63.24 36.07 0.00 0.00
27
+ ATOM 27 C PTH 1 69.42 64.24 34.07 0.00 0.00
28
+ ATOM 28 C PTH 1 69.42 64.24 35.07 0.00 0.00
29
+ ATOM 29 C PTH 1 69.42 64.24 36.07 0.00 0.00
30
+ ATOM 30 C PTH 1 69.42 65.24 39.07 0.00 0.00
31
+ ATOM 31 C PTH 1 70.42 59.24 32.07 0.00 0.00
32
+ ATOM 32 C PTH 1 70.42 59.24 33.07 0.00 0.00
33
+ ATOM 33 C PTH 1 70.42 60.24 30.07 0.00 0.00
34
+ ATOM 34 C PTH 1 70.42 60.24 31.07 0.00 0.00
35
+ ATOM 35 C PTH 1 70.42 60.24 32.07 0.00 0.00
36
+ ATOM 36 C PTH 1 70.42 60.24 33.07 0.00 0.00
37
+ ATOM 37 C PTH 1 70.42 60.24 34.07 0.00 0.00
38
+ ATOM 38 C PTH 1 70.42 60.24 35.07 0.00 0.00
39
+ ATOM 39 C PTH 1 70.42 61.24 30.07 0.00 0.00
40
+ ATOM 40 C PTH 1 70.42 61.24 31.07 0.00 0.00
41
+ ATOM 41 C PTH 1 70.42 61.24 32.07 0.00 0.00
42
+ ATOM 42 C PTH 1 70.42 61.24 33.07 0.00 0.00
43
+ ATOM 43 C PTH 1 70.42 61.24 34.07 0.00 0.00
44
+ ATOM 44 C PTH 1 70.42 61.24 35.07 0.00 0.00
45
+ ATOM 45 C PTH 1 70.42 62.24 30.07 0.00 0.00
46
+ ATOM 46 C PTH 1 70.42 62.24 31.07 0.00 0.00
47
+ ATOM 47 C PTH 1 70.42 62.24 32.07 0.00 0.00
48
+ ATOM 48 C PTH 1 70.42 62.24 33.07 0.00 0.00
49
+ ATOM 49 C PTH 1 70.42 62.24 34.07 0.00 0.00
50
+ ATOM 50 C PTH 1 70.42 62.24 35.07 0.00 0.00
51
+ ATOM 51 C PTH 1 70.42 62.24 36.07 0.00 0.00
52
+ ATOM 52 C PTH 1 70.42 62.24 37.07 0.00 0.00
53
+ ATOM 53 C PTH 1 70.42 63.24 31.07 0.00 0.00
54
+ ATOM 54 C PTH 1 70.42 63.24 32.07 0.00 0.00
55
+ ATOM 55 C PTH 1 70.42 63.24 33.07 0.00 0.00
56
+ ATOM 56 C PTH 1 70.42 63.24 34.07 0.00 0.00
57
+ ATOM 57 C PTH 1 70.42 63.24 35.07 0.00 0.00
58
+ ATOM 58 C PTH 1 70.42 63.24 36.07 0.00 0.00
59
+ ATOM 59 C PTH 1 70.42 63.24 37.07 0.00 0.00
60
+ ATOM 60 C PTH 1 70.42 63.24 38.07 0.00 0.00
61
+ ATOM 61 C PTH 1 70.42 64.24 32.07 0.00 0.00
62
+ ATOM 62 C PTH 1 70.42 64.24 33.07 0.00 0.00
63
+ ATOM 63 C PTH 1 70.42 64.24 34.07 0.00 0.00
64
+ ATOM 64 C PTH 1 70.42 64.24 35.07 0.00 0.00
65
+ ATOM 65 C PTH 1 70.42 64.24 36.07 0.00 0.00
66
+ ATOM 66 C PTH 1 70.42 64.24 37.07 0.00 0.00
67
+ ATOM 67 C PTH 1 70.42 64.24 38.07 0.00 0.00
68
+ ATOM 68 C PTH 1 70.42 65.24 35.07 0.00 0.00
69
+ ATOM 69 C PTH 1 70.42 65.24 36.07 0.00 0.00
70
+ ATOM 70 C PTH 1 70.42 65.24 37.07 0.00 0.00
71
+ ATOM 71 C PTH 1 70.42 65.24 38.07 0.00 0.00
72
+ ATOM 72 C PTH 1 70.42 65.24 39.07 0.00 0.00
73
+ ATOM 73 C PTH 1 70.42 66.24 37.07 0.00 0.00
74
+ ATOM 74 C PTH 1 70.42 66.24 38.07 0.00 0.00
75
+ ATOM 75 C PTH 1 70.42 66.24 39.07 0.00 0.00
76
+ ATOM 76 C PTH 1 71.42 59.24 30.07 0.00 0.00
77
+ ATOM 77 C PTH 1 71.42 59.24 31.07 0.00 0.00
78
+ ATOM 78 C PTH 1 71.42 59.24 32.07 0.00 0.00
79
+ ATOM 79 C PTH 1 71.42 59.24 33.07 0.00 0.00
80
+ ATOM 80 C PTH 1 71.42 60.24 30.07 0.00 0.00
81
+ ATOM 81 C PTH 1 71.42 60.24 31.07 0.00 0.00
82
+ ATOM 82 C PTH 1 71.42 60.24 32.07 0.00 0.00
83
+ ATOM 83 C PTH 1 71.42 60.24 33.07 0.00 0.00
84
+ ATOM 84 C PTH 1 71.42 60.24 34.07 0.00 0.00
85
+ ATOM 85 C PTH 1 71.42 60.24 35.07 0.00 0.00
86
+ ATOM 86 C PTH 1 71.42 61.24 30.07 0.00 0.00
87
+ ATOM 87 C PTH 1 71.42 61.24 31.07 0.00 0.00
88
+ ATOM 88 C PTH 1 71.42 61.24 32.07 0.00 0.00
89
+ ATOM 89 C PTH 1 71.42 61.24 33.07 0.00 0.00
90
+ ATOM 90 C PTH 1 71.42 61.24 34.07 0.00 0.00
91
+ ATOM 91 C PTH 1 71.42 61.24 35.07 0.00 0.00
92
+ ATOM 92 C PTH 1 71.42 61.24 36.07 0.00 0.00
93
+ ATOM 93 C PTH 1 71.42 62.24 30.07 0.00 0.00
94
+ ATOM 94 C PTH 1 71.42 62.24 31.07 0.00 0.00
95
+ ATOM 95 C PTH 1 71.42 62.24 32.07 0.00 0.00
96
+ ATOM 96 C PTH 1 71.42 62.24 33.07 0.00 0.00
97
+ ATOM 97 C PTH 1 71.42 62.24 34.07 0.00 0.00
98
+ ATOM 98 C PTH 1 71.42 62.24 35.07 0.00 0.00
99
+ ATOM 99 C PTH 1 71.42 62.24 36.07 0.00 0.00
100
+ ATOM 100 C PTH 1 71.42 62.24 37.07 0.00 0.00
101
+ ATOM 101 C PTH 1 71.42 62.24 38.07 0.00 0.00
102
+ ATOM 102 C PTH 1 71.42 63.24 31.07 0.00 0.00
103
+ ATOM 103 C PTH 1 71.42 63.24 32.07 0.00 0.00
104
+ ATOM 104 C PTH 1 71.42 63.24 33.07 0.00 0.00
105
+ ATOM 105 C PTH 1 71.42 63.24 34.07 0.00 0.00
106
+ ATOM 106 C PTH 1 71.42 63.24 35.07 0.00 0.00
107
+ ATOM 107 C PTH 1 71.42 63.24 36.07 0.00 0.00
108
+ ATOM 108 C PTH 1 71.42 63.24 37.07 0.00 0.00
109
+ ATOM 109 C PTH 1 71.42 63.24 38.07 0.00 0.00
110
+ ATOM 110 C PTH 1 71.42 64.24 32.07 0.00 0.00
111
+ ATOM 111 C PTH 1 71.42 64.24 33.07 0.00 0.00
112
+ ATOM 112 C PTH 1 71.42 64.24 34.07 0.00 0.00
113
+ ATOM 113 C PTH 1 71.42 64.24 35.07 0.00 0.00
114
+ ATOM 114 C PTH 1 71.42 64.24 36.07 0.00 0.00
115
+ ATOM 115 C PTH 1 71.42 64.24 37.07 0.00 0.00
116
+ ATOM 116 C PTH 1 71.42 64.24 38.07 0.00 0.00
117
+ ATOM 117 C PTH 1 71.42 65.24 34.07 0.00 0.00
118
+ ATOM 118 C PTH 1 71.42 65.24 35.07 0.00 0.00
119
+ ATOM 119 C PTH 1 71.42 65.24 36.07 0.00 0.00
120
+ ATOM 120 C PTH 1 71.42 65.24 37.07 0.00 0.00
121
+ ATOM 121 C PTH 1 71.42 65.24 38.07 0.00 0.00
122
+ ATOM 122 C PTH 1 71.42 65.24 39.07 0.00 0.00
123
+ ATOM 123 C PTH 1 71.42 66.24 37.07 0.00 0.00
124
+ ATOM 124 C PTH 1 71.42 66.24 38.07 0.00 0.00
125
+ ATOM 125 C PTH 1 71.42 66.24 39.07 0.00 0.00
126
+ ATOM 126 C PTH 1 72.42 59.24 29.07 0.00 0.00
127
+ ATOM 127 C PTH 1 72.42 59.24 30.07 0.00 0.00
128
+ ATOM 128 C PTH 1 72.42 59.24 31.07 0.00 0.00
129
+ ATOM 129 C PTH 1 72.42 60.24 29.07 0.00 0.00
130
+ ATOM 130 C PTH 1 72.42 60.24 30.07 0.00 0.00
131
+ ATOM 131 C PTH 1 72.42 60.24 31.07 0.00 0.00
132
+ ATOM 132 C PTH 1 72.42 60.24 32.07 0.00 0.00
133
+ ATOM 133 C PTH 1 72.42 60.24 33.07 0.00 0.00
134
+ ATOM 134 C PTH 1 72.42 60.24 34.07 0.00 0.00
135
+ ATOM 135 C PTH 1 72.42 61.24 29.07 0.00 0.00
136
+ ATOM 136 C PTH 1 72.42 61.24 30.07 0.00 0.00
137
+ ATOM 137 C PTH 1 72.42 61.24 31.07 0.00 0.00
138
+ ATOM 138 C PTH 1 72.42 61.24 32.07 0.00 0.00
139
+ ATOM 139 C PTH 1 72.42 61.24 33.07 0.00 0.00
140
+ ATOM 140 C PTH 1 72.42 61.24 34.07 0.00 0.00
141
+ ATOM 141 C PTH 1 72.42 61.24 35.07 0.00 0.00
142
+ ATOM 142 C PTH 1 72.42 61.24 36.07 0.00 0.00
143
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144
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data/files/A0042/pocket_04.pdb ADDED
@@ -0,0 +1,79 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0042/structure.pdb ADDED
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data/files/A005X/pocket_07.pdb ADDED
@@ -0,0 +1,90 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 3.02 20.42 32.88 0.00 0.00
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data/files/A0076/pocket_02.pdb ADDED
@@ -0,0 +1,290 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 97.46 74.93 47.71 0.00 0.00
2
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40
+ ATOM 40 C PTH 1 99.46 74.93 50.71 0.00 0.00
41
+ ATOM 41 C PTH 1 99.46 75.93 46.71 0.00 0.00
42
+ ATOM 42 C PTH 1 99.46 75.93 47.71 0.00 0.00
43
+ ATOM 43 C PTH 1 99.46 75.93 48.71 0.00 0.00
44
+ ATOM 44 C PTH 1 99.46 75.93 49.71 0.00 0.00
45
+ ATOM 45 C PTH 1 99.46 75.93 50.71 0.00 0.00
46
+ ATOM 46 C PTH 1 99.46 75.93 51.71 0.00 0.00
47
+ ATOM 47 C PTH 1 99.46 76.93 46.71 0.00 0.00
48
+ ATOM 48 C PTH 1 99.46 76.93 47.71 0.00 0.00
49
+ ATOM 49 C PTH 1 99.46 76.93 48.71 0.00 0.00
50
+ ATOM 50 C PTH 1 99.46 76.93 49.71 0.00 0.00
51
+ ATOM 51 C PTH 1 99.46 76.93 50.71 0.00 0.00
52
+ ATOM 52 C PTH 1 99.46 76.93 51.71 0.00 0.00
53
+ ATOM 53 C PTH 1 99.46 77.93 47.71 0.00 0.00
54
+ ATOM 54 C PTH 1 99.46 77.93 48.71 0.00 0.00
55
+ ATOM 55 C PTH 1 99.46 77.93 49.71 0.00 0.00
56
+ ATOM 56 C PTH 1 99.46 77.93 50.71 0.00 0.00
57
+ ATOM 57 C PTH 1 99.46 77.93 51.71 0.00 0.00
58
+ ATOM 58 C PTH 1 99.46 78.93 47.71 0.00 0.00
59
+ ATOM 59 C PTH 1 99.46 78.93 48.71 0.00 0.00
60
+ ATOM 60 C PTH 1 99.46 78.93 49.71 0.00 0.00
61
+ ATOM 61 C PTH 1 99.46 78.93 50.71 0.00 0.00
62
+ ATOM 62 C PTH 1 99.46 78.93 51.71 0.00 0.00
63
+ ATOM 63 C PTH 1 99.46 79.93 47.71 0.00 0.00
64
+ ATOM 64 C PTH 1 99.46 79.93 48.71 0.00 0.00
65
+ ATOM 65 C PTH 1 99.46 79.93 49.71 0.00 0.00
66
+ ATOM 66 C PTH 1 99.46 79.93 50.71 0.00 0.00
67
+ ATOM 67 C PTH 1 99.46 79.93 51.71 0.00 0.00
68
+ ATOM 68 C PTH 1 99.46 80.93 50.71 0.00 0.00
69
+ ATOM 69 C PTH 1 100.46 74.93 46.71 0.00 0.00
70
+ ATOM 70 C PTH 1 100.46 74.93 47.71 0.00 0.00
71
+ ATOM 71 C PTH 1 100.46 74.93 48.71 0.00 0.00
72
+ ATOM 72 C PTH 1 100.46 74.93 49.71 0.00 0.00
73
+ ATOM 73 C PTH 1 100.46 74.93 50.71 0.00 0.00
74
+ ATOM 74 C PTH 1 100.46 75.93 46.71 0.00 0.00
75
+ ATOM 75 C PTH 1 100.46 75.93 47.71 0.00 0.00
76
+ ATOM 76 C PTH 1 100.46 75.93 48.71 0.00 0.00
77
+ ATOM 77 C PTH 1 100.46 75.93 49.71 0.00 0.00
78
+ ATOM 78 C PTH 1 100.46 75.93 50.71 0.00 0.00
79
+ ATOM 79 C PTH 1 100.46 75.93 51.71 0.00 0.00
80
+ ATOM 80 C PTH 1 100.46 75.93 52.71 0.00 0.00
81
+ ATOM 81 C PTH 1 100.46 76.93 46.71 0.00 0.00
82
+ ATOM 82 C PTH 1 100.46 76.93 47.71 0.00 0.00
83
+ ATOM 83 C PTH 1 100.46 76.93 48.71 0.00 0.00
84
+ ATOM 84 C PTH 1 100.46 76.93 49.71 0.00 0.00
85
+ ATOM 85 C PTH 1 100.46 76.93 50.71 0.00 0.00
86
+ ATOM 86 C PTH 1 100.46 76.93 51.71 0.00 0.00
87
+ ATOM 87 C PTH 1 100.46 76.93 52.71 0.00 0.00
88
+ ATOM 88 C PTH 1 100.46 77.93 46.71 0.00 0.00
89
+ ATOM 89 C PTH 1 100.46 77.93 47.71 0.00 0.00
90
+ ATOM 90 C PTH 1 100.46 77.93 48.71 0.00 0.00
91
+ ATOM 91 C PTH 1 100.46 77.93 49.71 0.00 0.00
92
+ ATOM 92 C PTH 1 100.46 77.93 50.71 0.00 0.00
93
+ ATOM 93 C PTH 1 100.46 77.93 51.71 0.00 0.00
94
+ ATOM 94 C PTH 1 100.46 77.93 52.71 0.00 0.00
95
+ ATOM 95 C PTH 1 100.46 78.93 46.71 0.00 0.00
96
+ ATOM 96 C PTH 1 100.46 78.93 47.71 0.00 0.00
97
+ ATOM 97 C PTH 1 100.46 78.93 48.71 0.00 0.00
98
+ ATOM 98 C PTH 1 100.46 78.93 49.71 0.00 0.00
99
+ ATOM 99 C PTH 1 100.46 78.93 50.71 0.00 0.00
100
+ ATOM 100 C PTH 1 100.46 78.93 51.71 0.00 0.00
101
+ ATOM 101 C PTH 1 100.46 78.93 52.71 0.00 0.00
102
+ ATOM 102 C PTH 1 100.46 79.93 47.71 0.00 0.00
103
+ ATOM 103 C PTH 1 100.46 79.93 48.71 0.00 0.00
104
+ ATOM 104 C PTH 1 100.46 79.93 49.71 0.00 0.00
105
+ ATOM 105 C PTH 1 100.46 79.93 50.71 0.00 0.00
106
+ ATOM 106 C PTH 1 100.46 79.93 51.71 0.00 0.00
107
+ ATOM 107 C PTH 1 100.46 79.93 52.71 0.00 0.00
108
+ ATOM 108 C PTH 1 100.46 80.93 48.71 0.00 0.00
109
+ ATOM 109 C PTH 1 100.46 80.93 49.71 0.00 0.00
110
+ ATOM 110 C PTH 1 100.46 80.93 50.71 0.00 0.00
111
+ ATOM 111 C PTH 1 100.46 80.93 51.71 0.00 0.00
112
+ ATOM 112 C PTH 1 100.46 80.93 52.71 0.00 0.00
113
+ ATOM 113 C PTH 1 100.46 81.93 49.71 0.00 0.00
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
+ ATOM 148 C PTH 1 101.46 78.93 52.71 0.00 0.00
149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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228
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229
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230
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
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242
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243
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244
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245
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246
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247
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248
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249
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250
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251
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252
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253
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254
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255
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256
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257
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258
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259
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260
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261
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262
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263
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264
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265
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266
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267
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268
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269
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270
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271
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272
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273
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274
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275
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276
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277
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278
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279
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280
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281
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282
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283
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284
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285
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286
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287
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288
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289
+ ATOM 289 C PTH 1 105.46 84.93 50.71 0.00 0.00
290
+ ATOM 290 C PTH 1 105.46 84.93 51.71 0.00 0.00
data/files/A0076/pocket_03.pdb ADDED
@@ -0,0 +1,271 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 97.46 105.93 62.71 0.00 0.00
2
+ ATOM 2 C PTH 1 97.46 105.93 63.71 0.00 0.00
3
+ ATOM 3 C PTH 1 97.46 106.93 62.71 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
+ ATOM 9 C PTH 1 97.46 108.93 62.71 0.00 0.00
10
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11
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12
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13
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14
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15
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16
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17
+ ATOM 17 C PTH 1 98.46 105.93 60.71 0.00 0.00
18
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19
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20
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21
+ ATOM 21 C PTH 1 98.46 105.93 64.71 0.00 0.00
22
+ ATOM 22 C PTH 1 98.46 106.93 61.71 0.00 0.00
23
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24
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25
+ ATOM 25 C PTH 1 98.46 106.93 64.71 0.00 0.00
26
+ ATOM 26 C PTH 1 98.46 107.93 61.71 0.00 0.00
27
+ ATOM 27 C PTH 1 98.46 107.93 62.71 0.00 0.00
28
+ ATOM 28 C PTH 1 98.46 107.93 63.71 0.00 0.00
29
+ ATOM 29 C PTH 1 98.46 107.93 64.71 0.00 0.00
30
+ ATOM 30 C PTH 1 98.46 108.93 62.71 0.00 0.00
31
+ ATOM 31 C PTH 1 98.46 108.93 63.71 0.00 0.00
32
+ ATOM 32 C PTH 1 98.46 108.93 64.71 0.00 0.00
33
+ ATOM 33 C PTH 1 98.46 109.93 62.71 0.00 0.00
34
+ ATOM 34 C PTH 1 98.46 109.93 63.71 0.00 0.00
35
+ ATOM 35 C PTH 1 98.46 110.93 62.71 0.00 0.00
36
+ ATOM 36 C PTH 1 98.46 110.93 63.71 0.00 0.00
37
+ ATOM 37 C PTH 1 99.46 103.93 60.71 0.00 0.00
38
+ ATOM 38 C PTH 1 99.46 103.93 61.71 0.00 0.00
39
+ ATOM 39 C PTH 1 99.46 103.93 62.71 0.00 0.00
40
+ ATOM 40 C PTH 1 99.46 103.93 63.71 0.00 0.00
41
+ ATOM 41 C PTH 1 99.46 103.93 64.71 0.00 0.00
42
+ ATOM 42 C PTH 1 99.46 104.93 60.71 0.00 0.00
43
+ ATOM 43 C PTH 1 99.46 104.93 61.71 0.00 0.00
44
+ ATOM 44 C PTH 1 99.46 104.93 62.71 0.00 0.00
45
+ ATOM 45 C PTH 1 99.46 104.93 63.71 0.00 0.00
46
+ ATOM 46 C PTH 1 99.46 104.93 64.71 0.00 0.00
47
+ ATOM 47 C PTH 1 99.46 105.93 60.71 0.00 0.00
48
+ ATOM 48 C PTH 1 99.46 105.93 61.71 0.00 0.00
49
+ ATOM 49 C PTH 1 99.46 105.93 62.71 0.00 0.00
50
+ ATOM 50 C PTH 1 99.46 105.93 63.71 0.00 0.00
51
+ ATOM 51 C PTH 1 99.46 105.93 64.71 0.00 0.00
52
+ ATOM 52 C PTH 1 99.46 106.93 60.71 0.00 0.00
53
+ ATOM 53 C PTH 1 99.46 106.93 61.71 0.00 0.00
54
+ ATOM 54 C PTH 1 99.46 106.93 62.71 0.00 0.00
55
+ ATOM 55 C PTH 1 99.46 106.93 63.71 0.00 0.00
56
+ ATOM 56 C PTH 1 99.46 106.93 64.71 0.00 0.00
57
+ ATOM 57 C PTH 1 99.46 106.93 65.71 0.00 0.00
58
+ ATOM 58 C PTH 1 99.46 107.93 60.71 0.00 0.00
59
+ ATOM 59 C PTH 1 99.46 107.93 61.71 0.00 0.00
60
+ ATOM 60 C PTH 1 99.46 107.93 62.71 0.00 0.00
61
+ ATOM 61 C PTH 1 99.46 107.93 63.71 0.00 0.00
62
+ ATOM 62 C PTH 1 99.46 107.93 64.71 0.00 0.00
63
+ ATOM 63 C PTH 1 99.46 108.93 61.71 0.00 0.00
64
+ ATOM 64 C PTH 1 99.46 108.93 62.71 0.00 0.00
65
+ ATOM 65 C PTH 1 99.46 108.93 63.71 0.00 0.00
66
+ ATOM 66 C PTH 1 99.46 108.93 64.71 0.00 0.00
67
+ ATOM 67 C PTH 1 99.46 109.93 61.71 0.00 0.00
68
+ ATOM 68 C PTH 1 99.46 109.93 62.71 0.00 0.00
69
+ ATOM 69 C PTH 1 99.46 109.93 63.71 0.00 0.00
70
+ ATOM 70 C PTH 1 99.46 110.93 62.71 0.00 0.00
71
+ ATOM 71 C PTH 1 99.46 110.93 63.71 0.00 0.00
72
+ ATOM 72 C PTH 1 100.46 100.93 59.71 0.00 0.00
73
+ ATOM 73 C PTH 1 100.46 100.93 60.71 0.00 0.00
74
+ ATOM 74 C PTH 1 100.46 100.93 61.71 0.00 0.00
75
+ ATOM 75 C PTH 1 100.46 101.93 58.71 0.00 0.00
76
+ ATOM 76 C PTH 1 100.46 101.93 59.71 0.00 0.00
77
+ ATOM 77 C PTH 1 100.46 101.93 60.71 0.00 0.00
78
+ ATOM 78 C PTH 1 100.46 101.93 61.71 0.00 0.00
79
+ ATOM 79 C PTH 1 100.46 101.93 62.71 0.00 0.00
80
+ ATOM 80 C PTH 1 100.46 102.93 58.71 0.00 0.00
81
+ ATOM 81 C PTH 1 100.46 102.93 59.71 0.00 0.00
82
+ ATOM 82 C PTH 1 100.46 102.93 60.71 0.00 0.00
83
+ ATOM 83 C PTH 1 100.46 102.93 61.71 0.00 0.00
84
+ ATOM 84 C PTH 1 100.46 102.93 62.71 0.00 0.00
85
+ ATOM 85 C PTH 1 100.46 102.93 63.71 0.00 0.00
86
+ ATOM 86 C PTH 1 100.46 103.93 58.71 0.00 0.00
87
+ ATOM 87 C PTH 1 100.46 103.93 59.71 0.00 0.00
88
+ ATOM 88 C PTH 1 100.46 103.93 60.71 0.00 0.00
89
+ ATOM 89 C PTH 1 100.46 103.93 61.71 0.00 0.00
90
+ ATOM 90 C PTH 1 100.46 103.93 62.71 0.00 0.00
91
+ ATOM 91 C PTH 1 100.46 103.93 63.71 0.00 0.00
92
+ ATOM 92 C PTH 1 100.46 103.93 64.71 0.00 0.00
93
+ ATOM 93 C PTH 1 100.46 104.93 59.71 0.00 0.00
94
+ ATOM 94 C PTH 1 100.46 104.93 60.71 0.00 0.00
95
+ ATOM 95 C PTH 1 100.46 104.93 61.71 0.00 0.00
96
+ ATOM 96 C PTH 1 100.46 104.93 62.71 0.00 0.00
97
+ ATOM 97 C PTH 1 100.46 104.93 63.71 0.00 0.00
98
+ ATOM 98 C PTH 1 100.46 104.93 64.71 0.00 0.00
99
+ ATOM 99 C PTH 1 100.46 105.93 59.71 0.00 0.00
100
+ ATOM 100 C PTH 1 100.46 105.93 60.71 0.00 0.00
101
+ ATOM 101 C PTH 1 100.46 105.93 61.71 0.00 0.00
102
+ ATOM 102 C PTH 1 100.46 105.93 62.71 0.00 0.00
103
+ ATOM 103 C PTH 1 100.46 105.93 63.71 0.00 0.00
104
+ ATOM 104 C PTH 1 100.46 105.93 64.71 0.00 0.00
105
+ ATOM 105 C PTH 1 100.46 106.93 60.71 0.00 0.00
106
+ ATOM 106 C PTH 1 100.46 106.93 61.71 0.00 0.00
107
+ ATOM 107 C PTH 1 100.46 106.93 62.71 0.00 0.00
108
+ ATOM 108 C PTH 1 100.46 106.93 63.71 0.00 0.00
109
+ ATOM 109 C PTH 1 100.46 106.93 64.71 0.00 0.00
110
+ ATOM 110 C PTH 1 100.46 107.93 60.71 0.00 0.00
111
+ ATOM 111 C PTH 1 100.46 107.93 61.71 0.00 0.00
112
+ ATOM 112 C PTH 1 100.46 107.93 62.71 0.00 0.00
113
+ ATOM 113 C PTH 1 100.46 107.93 63.71 0.00 0.00
114
+ ATOM 114 C PTH 1 100.46 107.93 64.71 0.00 0.00
115
+ ATOM 115 C PTH 1 100.46 108.93 60.71 0.00 0.00
116
+ ATOM 116 C PTH 1 100.46 108.93 61.71 0.00 0.00
117
+ ATOM 117 C PTH 1 100.46 108.93 62.71 0.00 0.00
118
+ ATOM 118 C PTH 1 100.46 108.93 63.71 0.00 0.00
119
+ ATOM 119 C PTH 1 100.46 108.93 64.71 0.00 0.00
120
+ ATOM 120 C PTH 1 100.46 109.93 61.71 0.00 0.00
121
+ ATOM 121 C PTH 1 100.46 109.93 62.71 0.00 0.00
122
+ ATOM 122 C PTH 1 100.46 109.93 63.71 0.00 0.00
123
+ ATOM 123 C PTH 1 100.46 110.93 62.71 0.00 0.00
124
+ ATOM 124 C PTH 1 100.46 110.93 63.71 0.00 0.00
125
+ ATOM 125 C PTH 1 101.46 99.93 60.71 0.00 0.00
126
+ ATOM 126 C PTH 1 101.46 100.93 59.71 0.00 0.00
127
+ ATOM 127 C PTH 1 101.46 100.93 60.71 0.00 0.00
128
+ ATOM 128 C PTH 1 101.46 100.93 61.71 0.00 0.00
129
+ ATOM 129 C PTH 1 101.46 100.93 62.71 0.00 0.00
130
+ ATOM 130 C PTH 1 101.46 100.93 63.71 0.00 0.00
131
+ ATOM 131 C PTH 1 101.46 101.93 58.71 0.00 0.00
132
+ ATOM 132 C PTH 1 101.46 101.93 59.71 0.00 0.00
133
+ ATOM 133 C PTH 1 101.46 101.93 60.71 0.00 0.00
134
+ ATOM 134 C PTH 1 101.46 101.93 61.71 0.00 0.00
135
+ ATOM 135 C PTH 1 101.46 101.93 62.71 0.00 0.00
136
+ ATOM 136 C PTH 1 101.46 101.93 63.71 0.00 0.00
137
+ ATOM 137 C PTH 1 101.46 102.93 58.71 0.00 0.00
138
+ ATOM 138 C PTH 1 101.46 102.93 59.71 0.00 0.00
139
+ ATOM 139 C PTH 1 101.46 102.93 60.71 0.00 0.00
140
+ ATOM 140 C PTH 1 101.46 102.93 61.71 0.00 0.00
141
+ ATOM 141 C PTH 1 101.46 102.93 62.71 0.00 0.00
142
+ ATOM 142 C PTH 1 101.46 102.93 63.71 0.00 0.00
143
+ ATOM 143 C PTH 1 101.46 103.93 58.71 0.00 0.00
144
+ ATOM 144 C PTH 1 101.46 103.93 59.71 0.00 0.00
145
+ ATOM 145 C PTH 1 101.46 103.93 60.71 0.00 0.00
146
+ ATOM 146 C PTH 1 101.46 103.93 61.71 0.00 0.00
147
+ ATOM 147 C PTH 1 101.46 103.93 62.71 0.00 0.00
148
+ ATOM 148 C PTH 1 101.46 103.93 63.71 0.00 0.00
149
+ ATOM 149 C PTH 1 101.46 104.93 58.71 0.00 0.00
150
+ ATOM 150 C PTH 1 101.46 104.93 59.71 0.00 0.00
151
+ ATOM 151 C PTH 1 101.46 104.93 60.71 0.00 0.00
152
+ ATOM 152 C PTH 1 101.46 104.93 61.71 0.00 0.00
153
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154
+ ATOM 154 C PTH 1 101.46 104.93 63.71 0.00 0.00
155
+ ATOM 155 C PTH 1 101.46 104.93 64.71 0.00 0.00
156
+ ATOM 156 C PTH 1 101.46 105.93 59.71 0.00 0.00
157
+ ATOM 157 C PTH 1 101.46 105.93 60.71 0.00 0.00
158
+ ATOM 158 C PTH 1 101.46 105.93 61.71 0.00 0.00
159
+ ATOM 159 C PTH 1 101.46 105.93 62.71 0.00 0.00
160
+ ATOM 160 C PTH 1 101.46 105.93 63.71 0.00 0.00
161
+ ATOM 161 C PTH 1 101.46 105.93 64.71 0.00 0.00
162
+ ATOM 162 C PTH 1 101.46 106.93 59.71 0.00 0.00
163
+ ATOM 163 C PTH 1 101.46 106.93 60.71 0.00 0.00
164
+ ATOM 164 C PTH 1 101.46 106.93 61.71 0.00 0.00
165
+ ATOM 165 C PTH 1 101.46 106.93 62.71 0.00 0.00
166
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167
+ ATOM 167 C PTH 1 101.46 106.93 64.71 0.00 0.00
168
+ ATOM 168 C PTH 1 101.46 107.93 60.71 0.00 0.00
169
+ ATOM 169 C PTH 1 101.46 107.93 61.71 0.00 0.00
170
+ ATOM 170 C PTH 1 101.46 107.93 62.71 0.00 0.00
171
+ ATOM 171 C PTH 1 101.46 107.93 63.71 0.00 0.00
172
+ ATOM 172 C PTH 1 101.46 107.93 64.71 0.00 0.00
173
+ ATOM 173 C PTH 1 101.46 108.93 60.71 0.00 0.00
174
+ ATOM 174 C PTH 1 101.46 108.93 61.71 0.00 0.00
175
+ ATOM 175 C PTH 1 101.46 108.93 62.71 0.00 0.00
176
+ ATOM 176 C PTH 1 101.46 108.93 63.71 0.00 0.00
177
+ ATOM 177 C PTH 1 101.46 108.93 64.71 0.00 0.00
178
+ ATOM 178 C PTH 1 101.46 109.93 61.71 0.00 0.00
179
+ ATOM 179 C PTH 1 101.46 109.93 62.71 0.00 0.00
180
+ ATOM 180 C PTH 1 101.46 109.93 63.71 0.00 0.00
181
+ ATOM 181 C PTH 1 101.46 110.93 62.71 0.00 0.00
182
+ ATOM 182 C PTH 1 101.46 110.93 63.71 0.00 0.00
183
+ ATOM 183 C PTH 1 102.46 99.93 59.71 0.00 0.00
184
+ ATOM 184 C PTH 1 102.46 99.93 60.71 0.00 0.00
185
+ ATOM 185 C PTH 1 102.46 99.93 61.71 0.00 0.00
186
+ ATOM 186 C PTH 1 102.46 100.93 59.71 0.00 0.00
187
+ ATOM 187 C PTH 1 102.46 100.93 60.71 0.00 0.00
188
+ ATOM 188 C PTH 1 102.46 100.93 61.71 0.00 0.00
189
+ ATOM 189 C PTH 1 102.46 100.93 62.71 0.00 0.00
190
+ ATOM 190 C PTH 1 102.46 100.93 63.71 0.00 0.00
191
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192
+ ATOM 192 C PTH 1 102.46 101.93 59.71 0.00 0.00
193
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194
+ ATOM 194 C PTH 1 102.46 101.93 61.71 0.00 0.00
195
+ ATOM 195 C PTH 1 102.46 101.93 62.71 0.00 0.00
196
+ ATOM 196 C PTH 1 102.46 101.93 63.71 0.00 0.00
197
+ ATOM 197 C PTH 1 102.46 102.93 58.71 0.00 0.00
198
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199
+ ATOM 199 C PTH 1 102.46 102.93 60.71 0.00 0.00
200
+ ATOM 200 C PTH 1 102.46 102.93 61.71 0.00 0.00
201
+ ATOM 201 C PTH 1 102.46 102.93 62.71 0.00 0.00
202
+ ATOM 202 C PTH 1 102.46 102.93 63.71 0.00 0.00
203
+ ATOM 203 C PTH 1 102.46 103.93 58.71 0.00 0.00
204
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205
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206
+ ATOM 206 C PTH 1 102.46 103.93 61.71 0.00 0.00
207
+ ATOM 207 C PTH 1 102.46 103.93 62.71 0.00 0.00
208
+ ATOM 208 C PTH 1 102.46 104.93 58.71 0.00 0.00
209
+ ATOM 209 C PTH 1 102.46 104.93 59.71 0.00 0.00
210
+ ATOM 210 C PTH 1 102.46 104.93 60.71 0.00 0.00
211
+ ATOM 211 C PTH 1 102.46 104.93 61.71 0.00 0.00
212
+ ATOM 212 C PTH 1 102.46 104.93 62.71 0.00 0.00
213
+ ATOM 213 C PTH 1 102.46 104.93 63.71 0.00 0.00
214
+ ATOM 214 C PTH 1 102.46 105.93 59.71 0.00 0.00
215
+ ATOM 215 C PTH 1 102.46 105.93 60.71 0.00 0.00
216
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217
+ ATOM 217 C PTH 1 102.46 105.93 62.71 0.00 0.00
218
+ ATOM 218 C PTH 1 102.46 105.93 63.71 0.00 0.00
219
+ ATOM 219 C PTH 1 102.46 106.93 59.71 0.00 0.00
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
+ ATOM 226 C PTH 1 102.46 107.93 62.71 0.00 0.00
227
+ ATOM 227 C PTH 1 102.46 107.93 63.71 0.00 0.00
228
+ ATOM 228 C PTH 1 102.46 108.93 60.71 0.00 0.00
229
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230
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231
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232
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233
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234
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235
+ ATOM 235 C PTH 1 103.46 99.93 59.71 0.00 0.00
236
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237
+ ATOM 237 C PTH 1 103.46 99.93 61.71 0.00 0.00
238
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239
+ ATOM 239 C PTH 1 103.46 99.93 63.71 0.00 0.00
240
+ ATOM 240 C PTH 1 103.46 100.93 59.71 0.00 0.00
241
+ ATOM 241 C PTH 1 103.46 100.93 60.71 0.00 0.00
242
+ ATOM 242 C PTH 1 103.46 100.93 61.71 0.00 0.00
243
+ ATOM 243 C PTH 1 103.46 100.93 62.71 0.00 0.00
244
+ ATOM 244 C PTH 1 103.46 100.93 63.71 0.00 0.00
245
+ ATOM 245 C PTH 1 103.46 101.93 59.71 0.00 0.00
246
+ ATOM 246 C PTH 1 103.46 101.93 60.71 0.00 0.00
247
+ ATOM 247 C PTH 1 103.46 101.93 61.71 0.00 0.00
248
+ ATOM 248 C PTH 1 103.46 101.93 62.71 0.00 0.00
249
+ ATOM 249 C PTH 1 103.46 101.93 63.71 0.00 0.00
250
+ ATOM 250 C PTH 1 103.46 102.93 59.71 0.00 0.00
251
+ ATOM 251 C PTH 1 103.46 102.93 60.71 0.00 0.00
252
+ ATOM 252 C PTH 1 103.46 102.93 61.71 0.00 0.00
253
+ ATOM 253 C PTH 1 103.46 102.93 62.71 0.00 0.00
254
+ ATOM 254 C PTH 1 103.46 103.93 59.71 0.00 0.00
255
+ ATOM 255 C PTH 1 103.46 103.93 60.71 0.00 0.00
256
+ ATOM 256 C PTH 1 103.46 103.93 61.71 0.00 0.00
257
+ ATOM 257 C PTH 1 103.46 104.93 60.71 0.00 0.00
258
+ ATOM 258 C PTH 1 103.46 104.93 61.71 0.00 0.00
259
+ ATOM 259 C PTH 1 103.46 105.93 60.71 0.00 0.00
260
+ ATOM 260 C PTH 1 103.46 106.93 61.71 0.00 0.00
261
+ ATOM 261 C PTH 1 104.46 99.93 59.71 0.00 0.00
262
+ ATOM 262 C PTH 1 104.46 99.93 60.71 0.00 0.00
263
+ ATOM 263 C PTH 1 104.46 99.93 61.71 0.00 0.00
264
+ ATOM 264 C PTH 1 104.46 99.93 62.71 0.00 0.00
265
+ ATOM 265 C PTH 1 104.46 99.93 63.71 0.00 0.00
266
+ ATOM 266 C PTH 1 104.46 100.93 60.71 0.00 0.00
267
+ ATOM 267 C PTH 1 104.46 100.93 61.71 0.00 0.00
268
+ ATOM 268 C PTH 1 104.46 100.93 62.71 0.00 0.00
269
+ ATOM 269 C PTH 1 104.46 100.93 63.71 0.00 0.00
270
+ ATOM 270 C PTH 1 104.46 101.93 60.71 0.00 0.00
271
+ ATOM 271 C PTH 1 104.46 101.93 61.71 0.00 0.00
data/files/A0076/pocket_05.pdb ADDED
@@ -0,0 +1,251 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 71.46 83.93 42.71 0.00 0.00
2
+ ATOM 2 C PTH 1 71.46 83.93 43.71 0.00 0.00
3
+ ATOM 3 C PTH 1 71.46 83.93 44.71 0.00 0.00
4
+ ATOM 4 C PTH 1 71.46 84.93 42.71 0.00 0.00
5
+ ATOM 5 C PTH 1 71.46 84.93 43.71 0.00 0.00
6
+ ATOM 6 C PTH 1 71.46 84.93 44.71 0.00 0.00
7
+ ATOM 7 C PTH 1 71.46 85.93 42.71 0.00 0.00
8
+ ATOM 8 C PTH 1 71.46 85.93 43.71 0.00 0.00
9
+ ATOM 9 C PTH 1 71.46 85.93 44.71 0.00 0.00
10
+ ATOM 10 C PTH 1 71.46 85.93 45.71 0.00 0.00
11
+ ATOM 11 C PTH 1 71.46 86.93 42.71 0.00 0.00
12
+ ATOM 12 C PTH 1 71.46 86.93 43.71 0.00 0.00
13
+ ATOM 13 C PTH 1 72.46 81.93 43.71 0.00 0.00
14
+ ATOM 14 C PTH 1 72.46 81.93 44.71 0.00 0.00
15
+ ATOM 15 C PTH 1 72.46 81.93 45.71 0.00 0.00
16
+ ATOM 16 C PTH 1 72.46 82.93 42.71 0.00 0.00
17
+ ATOM 17 C PTH 1 72.46 82.93 43.71 0.00 0.00
18
+ ATOM 18 C PTH 1 72.46 82.93 44.71 0.00 0.00
19
+ ATOM 19 C PTH 1 72.46 82.93 45.71 0.00 0.00
20
+ ATOM 20 C PTH 1 72.46 82.93 46.71 0.00 0.00
21
+ ATOM 21 C PTH 1 72.46 83.93 42.71 0.00 0.00
22
+ ATOM 22 C PTH 1 72.46 83.93 43.71 0.00 0.00
23
+ ATOM 23 C PTH 1 72.46 83.93 44.71 0.00 0.00
24
+ ATOM 24 C PTH 1 72.46 83.93 45.71 0.00 0.00
25
+ ATOM 25 C PTH 1 72.46 83.93 46.71 0.00 0.00
26
+ ATOM 26 C PTH 1 72.46 84.93 42.71 0.00 0.00
27
+ ATOM 27 C PTH 1 72.46 84.93 43.71 0.00 0.00
28
+ ATOM 28 C PTH 1 72.46 84.93 44.71 0.00 0.00
29
+ ATOM 29 C PTH 1 72.46 84.93 45.71 0.00 0.00
30
+ ATOM 30 C PTH 1 72.46 84.93 46.71 0.00 0.00
31
+ ATOM 31 C PTH 1 72.46 85.93 42.71 0.00 0.00
32
+ ATOM 32 C PTH 1 72.46 85.93 43.71 0.00 0.00
33
+ ATOM 33 C PTH 1 72.46 85.93 44.71 0.00 0.00
34
+ ATOM 34 C PTH 1 72.46 85.93 45.71 0.00 0.00
35
+ ATOM 35 C PTH 1 72.46 85.93 46.71 0.00 0.00
36
+ ATOM 36 C PTH 1 72.46 86.93 42.71 0.00 0.00
37
+ ATOM 37 C PTH 1 72.46 86.93 43.71 0.00 0.00
38
+ ATOM 38 C PTH 1 72.46 86.93 44.71 0.00 0.00
39
+ ATOM 39 C PTH 1 72.46 86.93 45.71 0.00 0.00
40
+ ATOM 40 C PTH 1 72.46 86.93 46.71 0.00 0.00
41
+ ATOM 41 C PTH 1 73.46 81.93 42.71 0.00 0.00
42
+ ATOM 42 C PTH 1 73.46 81.93 43.71 0.00 0.00
43
+ ATOM 43 C PTH 1 73.46 81.93 44.71 0.00 0.00
44
+ ATOM 44 C PTH 1 73.46 81.93 45.71 0.00 0.00
45
+ ATOM 45 C PTH 1 73.46 82.93 42.71 0.00 0.00
46
+ ATOM 46 C PTH 1 73.46 82.93 43.71 0.00 0.00
47
+ ATOM 47 C PTH 1 73.46 82.93 44.71 0.00 0.00
48
+ ATOM 48 C PTH 1 73.46 82.93 45.71 0.00 0.00
49
+ ATOM 49 C PTH 1 73.46 82.93 46.71 0.00 0.00
50
+ ATOM 50 C PTH 1 73.46 82.93 47.71 0.00 0.00
51
+ ATOM 51 C PTH 1 73.46 83.93 42.71 0.00 0.00
52
+ ATOM 52 C PTH 1 73.46 83.93 43.71 0.00 0.00
53
+ ATOM 53 C PTH 1 73.46 83.93 44.71 0.00 0.00
54
+ ATOM 54 C PTH 1 73.46 83.93 45.71 0.00 0.00
55
+ ATOM 55 C PTH 1 73.46 83.93 46.71 0.00 0.00
56
+ ATOM 56 C PTH 1 73.46 83.93 47.71 0.00 0.00
57
+ ATOM 57 C PTH 1 73.46 84.93 42.71 0.00 0.00
58
+ ATOM 58 C PTH 1 73.46 84.93 43.71 0.00 0.00
59
+ ATOM 59 C PTH 1 73.46 84.93 44.71 0.00 0.00
60
+ ATOM 60 C PTH 1 73.46 84.93 45.71 0.00 0.00
61
+ ATOM 61 C PTH 1 73.46 84.93 46.71 0.00 0.00
62
+ ATOM 62 C PTH 1 73.46 84.93 47.71 0.00 0.00
63
+ ATOM 63 C PTH 1 73.46 85.93 42.71 0.00 0.00
64
+ ATOM 64 C PTH 1 73.46 85.93 43.71 0.00 0.00
65
+ ATOM 65 C PTH 1 73.46 85.93 44.71 0.00 0.00
66
+ ATOM 66 C PTH 1 73.46 85.93 45.71 0.00 0.00
67
+ ATOM 67 C PTH 1 73.46 85.93 46.71 0.00 0.00
68
+ ATOM 68 C PTH 1 73.46 85.93 47.71 0.00 0.00
69
+ ATOM 69 C PTH 1 73.46 86.93 42.71 0.00 0.00
70
+ ATOM 70 C PTH 1 73.46 86.93 43.71 0.00 0.00
71
+ ATOM 71 C PTH 1 73.46 86.93 44.71 0.00 0.00
72
+ ATOM 72 C PTH 1 73.46 86.93 45.71 0.00 0.00
73
+ ATOM 73 C PTH 1 73.46 86.93 46.71 0.00 0.00
74
+ ATOM 74 C PTH 1 73.46 86.93 47.71 0.00 0.00
75
+ ATOM 75 C PTH 1 73.46 87.93 44.71 0.00 0.00
76
+ ATOM 76 C PTH 1 73.46 87.93 45.71 0.00 0.00
77
+ ATOM 77 C PTH 1 73.46 87.93 46.71 0.00 0.00
78
+ ATOM 78 C PTH 1 73.46 87.93 47.71 0.00 0.00
79
+ ATOM 79 C PTH 1 74.46 81.93 43.71 0.00 0.00
80
+ ATOM 80 C PTH 1 74.46 81.93 44.71 0.00 0.00
81
+ ATOM 81 C PTH 1 74.46 81.93 45.71 0.00 0.00
82
+ ATOM 82 C PTH 1 74.46 81.93 46.71 0.00 0.00
83
+ ATOM 83 C PTH 1 74.46 82.93 42.71 0.00 0.00
84
+ ATOM 84 C PTH 1 74.46 82.93 43.71 0.00 0.00
85
+ ATOM 85 C PTH 1 74.46 82.93 44.71 0.00 0.00
86
+ ATOM 86 C PTH 1 74.46 82.93 45.71 0.00 0.00
87
+ ATOM 87 C PTH 1 74.46 82.93 46.71 0.00 0.00
88
+ ATOM 88 C PTH 1 74.46 82.93 47.71 0.00 0.00
89
+ ATOM 89 C PTH 1 74.46 83.93 42.71 0.00 0.00
90
+ ATOM 90 C PTH 1 74.46 83.93 43.71 0.00 0.00
91
+ ATOM 91 C PTH 1 74.46 83.93 44.71 0.00 0.00
92
+ ATOM 92 C PTH 1 74.46 83.93 45.71 0.00 0.00
93
+ ATOM 93 C PTH 1 74.46 83.93 46.71 0.00 0.00
94
+ ATOM 94 C PTH 1 74.46 83.93 47.71 0.00 0.00
95
+ ATOM 95 C PTH 1 74.46 84.93 43.71 0.00 0.00
96
+ ATOM 96 C PTH 1 74.46 84.93 44.71 0.00 0.00
97
+ ATOM 97 C PTH 1 74.46 84.93 45.71 0.00 0.00
98
+ ATOM 98 C PTH 1 74.46 84.93 46.71 0.00 0.00
99
+ ATOM 99 C PTH 1 74.46 84.93 47.71 0.00 0.00
100
+ ATOM 100 C PTH 1 74.46 85.93 43.71 0.00 0.00
101
+ ATOM 101 C PTH 1 74.46 85.93 44.71 0.00 0.00
102
+ ATOM 102 C PTH 1 74.46 85.93 45.71 0.00 0.00
103
+ ATOM 103 C PTH 1 74.46 85.93 46.71 0.00 0.00
104
+ ATOM 104 C PTH 1 74.46 85.93 47.71 0.00 0.00
105
+ ATOM 105 C PTH 1 74.46 86.93 43.71 0.00 0.00
106
+ ATOM 106 C PTH 1 74.46 86.93 44.71 0.00 0.00
107
+ ATOM 107 C PTH 1 74.46 86.93 45.71 0.00 0.00
108
+ ATOM 108 C PTH 1 74.46 86.93 46.71 0.00 0.00
109
+ ATOM 109 C PTH 1 74.46 86.93 47.71 0.00 0.00
110
+ ATOM 110 C PTH 1 74.46 87.93 45.71 0.00 0.00
111
+ ATOM 111 C PTH 1 74.46 87.93 46.71 0.00 0.00
112
+ ATOM 112 C PTH 1 74.46 87.93 47.71 0.00 0.00
113
+ ATOM 113 C PTH 1 75.46 81.93 44.71 0.00 0.00
114
+ ATOM 114 C PTH 1 75.46 81.93 45.71 0.00 0.00
115
+ ATOM 115 C PTH 1 75.46 82.93 43.71 0.00 0.00
116
+ ATOM 116 C PTH 1 75.46 82.93 44.71 0.00 0.00
117
+ ATOM 117 C PTH 1 75.46 82.93 45.71 0.00 0.00
118
+ ATOM 118 C PTH 1 75.46 82.93 46.71 0.00 0.00
119
+ ATOM 119 C PTH 1 75.46 82.93 47.71 0.00 0.00
120
+ ATOM 120 C PTH 1 75.46 83.93 43.71 0.00 0.00
121
+ ATOM 121 C PTH 1 75.46 83.93 44.71 0.00 0.00
122
+ ATOM 122 C PTH 1 75.46 83.93 45.71 0.00 0.00
123
+ ATOM 123 C PTH 1 75.46 83.93 46.71 0.00 0.00
124
+ ATOM 124 C PTH 1 75.46 83.93 47.71 0.00 0.00
125
+ ATOM 125 C PTH 1 75.46 84.93 43.71 0.00 0.00
126
+ ATOM 126 C PTH 1 75.46 84.93 44.71 0.00 0.00
127
+ ATOM 127 C PTH 1 75.46 84.93 45.71 0.00 0.00
128
+ ATOM 128 C PTH 1 75.46 84.93 46.71 0.00 0.00
129
+ ATOM 129 C PTH 1 75.46 84.93 47.71 0.00 0.00
130
+ ATOM 130 C PTH 1 75.46 85.93 43.71 0.00 0.00
131
+ ATOM 131 C PTH 1 75.46 85.93 44.71 0.00 0.00
132
+ ATOM 132 C PTH 1 75.46 85.93 45.71 0.00 0.00
133
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134
+ ATOM 134 C PTH 1 75.46 85.93 47.71 0.00 0.00
135
+ ATOM 135 C PTH 1 75.46 85.93 48.71 0.00 0.00
136
+ ATOM 136 C PTH 1 75.46 86.93 44.71 0.00 0.00
137
+ ATOM 137 C PTH 1 75.46 86.93 45.71 0.00 0.00
138
+ ATOM 138 C PTH 1 75.46 86.93 46.71 0.00 0.00
139
+ ATOM 139 C PTH 1 75.46 86.93 47.71 0.00 0.00
140
+ ATOM 140 C PTH 1 75.46 87.93 45.71 0.00 0.00
141
+ ATOM 141 C PTH 1 75.46 87.93 46.71 0.00 0.00
142
+ ATOM 142 C PTH 1 75.46 87.93 47.71 0.00 0.00
143
+ ATOM 143 C PTH 1 76.46 82.93 44.71 0.00 0.00
144
+ ATOM 144 C PTH 1 76.46 82.93 45.71 0.00 0.00
145
+ ATOM 145 C PTH 1 76.46 82.93 46.71 0.00 0.00
146
+ ATOM 146 C PTH 1 76.46 82.93 47.71 0.00 0.00
147
+ ATOM 147 C PTH 1 76.46 83.93 44.71 0.00 0.00
148
+ ATOM 148 C PTH 1 76.46 83.93 45.71 0.00 0.00
149
+ ATOM 149 C PTH 1 76.46 83.93 46.71 0.00 0.00
150
+ ATOM 150 C PTH 1 76.46 83.93 47.71 0.00 0.00
151
+ ATOM 151 C PTH 1 76.46 84.93 44.71 0.00 0.00
152
+ ATOM 152 C PTH 1 76.46 84.93 45.71 0.00 0.00
153
+ ATOM 153 C PTH 1 76.46 84.93 46.71 0.00 0.00
154
+ ATOM 154 C PTH 1 76.46 84.93 47.71 0.00 0.00
155
+ ATOM 155 C PTH 1 76.46 84.93 48.71 0.00 0.00
156
+ ATOM 156 C PTH 1 76.46 85.93 44.71 0.00 0.00
157
+ ATOM 157 C PTH 1 76.46 85.93 45.71 0.00 0.00
158
+ ATOM 158 C PTH 1 76.46 85.93 46.71 0.00 0.00
159
+ ATOM 159 C PTH 1 76.46 85.93 47.71 0.00 0.00
160
+ ATOM 160 C PTH 1 76.46 85.93 48.71 0.00 0.00
161
+ ATOM 161 C PTH 1 76.46 86.93 44.71 0.00 0.00
162
+ ATOM 162 C PTH 1 76.46 86.93 45.71 0.00 0.00
163
+ ATOM 163 C PTH 1 76.46 86.93 46.71 0.00 0.00
164
+ ATOM 164 C PTH 1 76.46 86.93 47.71 0.00 0.00
165
+ ATOM 165 C PTH 1 76.46 86.93 48.71 0.00 0.00
166
+ ATOM 166 C PTH 1 76.46 87.93 45.71 0.00 0.00
167
+ ATOM 167 C PTH 1 76.46 87.93 46.71 0.00 0.00
168
+ ATOM 168 C PTH 1 76.46 87.93 47.71 0.00 0.00
169
+ ATOM 169 C PTH 1 76.46 87.93 48.71 0.00 0.00
170
+ ATOM 170 C PTH 1 77.46 82.93 45.71 0.00 0.00
171
+ ATOM 171 C PTH 1 77.46 82.93 46.71 0.00 0.00
172
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173
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174
+ ATOM 174 C PTH 1 77.46 83.93 46.71 0.00 0.00
175
+ ATOM 175 C PTH 1 77.46 83.93 47.71 0.00 0.00
176
+ ATOM 176 C PTH 1 77.46 84.93 44.71 0.00 0.00
177
+ ATOM 177 C PTH 1 77.46 84.93 45.71 0.00 0.00
178
+ ATOM 178 C PTH 1 77.46 84.93 46.71 0.00 0.00
179
+ ATOM 179 C PTH 1 77.46 84.93 47.71 0.00 0.00
180
+ ATOM 180 C PTH 1 77.46 85.93 44.71 0.00 0.00
181
+ ATOM 181 C PTH 1 77.46 85.93 45.71 0.00 0.00
182
+ ATOM 182 C PTH 1 77.46 85.93 46.71 0.00 0.00
183
+ ATOM 183 C PTH 1 77.46 85.93 47.71 0.00 0.00
184
+ ATOM 184 C PTH 1 77.46 85.93 48.71 0.00 0.00
185
+ ATOM 185 C PTH 1 77.46 86.93 44.71 0.00 0.00
186
+ ATOM 186 C PTH 1 77.46 86.93 45.71 0.00 0.00
187
+ ATOM 187 C PTH 1 77.46 86.93 46.71 0.00 0.00
188
+ ATOM 188 C PTH 1 77.46 86.93 47.71 0.00 0.00
189
+ ATOM 189 C PTH 1 77.46 86.93 48.71 0.00 0.00
190
+ ATOM 190 C PTH 1 77.46 87.93 45.71 0.00 0.00
191
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192
+ ATOM 192 C PTH 1 77.46 87.93 47.71 0.00 0.00
193
+ ATOM 193 C PTH 1 78.46 82.93 45.71 0.00 0.00
194
+ ATOM 194 C PTH 1 78.46 82.93 46.71 0.00 0.00
195
+ ATOM 195 C PTH 1 78.46 83.93 44.71 0.00 0.00
196
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197
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198
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199
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200
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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
+ ATOM 228 C PTH 1 79.46 86.93 45.71 0.00 0.00
229
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230
+ ATOM 230 C PTH 1 79.46 86.93 47.71 0.00 0.00
231
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232
+ ATOM 232 C PTH 1 80.46 83.93 46.71 0.00 0.00
233
+ ATOM 233 C PTH 1 80.46 83.93 47.71 0.00 0.00
234
+ ATOM 234 C PTH 1 80.46 84.93 45.71 0.00 0.00
235
+ ATOM 235 C PTH 1 80.46 84.93 46.71 0.00 0.00
236
+ ATOM 236 C PTH 1 80.46 84.93 47.71 0.00 0.00
237
+ ATOM 237 C PTH 1 80.46 85.93 44.71 0.00 0.00
238
+ ATOM 238 C PTH 1 80.46 85.93 45.71 0.00 0.00
239
+ ATOM 239 C PTH 1 80.46 85.93 46.71 0.00 0.00
240
+ ATOM 240 C PTH 1 80.46 85.93 47.71 0.00 0.00
241
+ ATOM 241 C PTH 1 80.46 86.93 43.71 0.00 0.00
242
+ ATOM 242 C PTH 1 80.46 86.93 44.71 0.00 0.00
243
+ ATOM 243 C PTH 1 80.46 86.93 45.71 0.00 0.00
244
+ ATOM 244 C PTH 1 80.46 86.93 46.71 0.00 0.00
245
+ ATOM 245 C PTH 1 80.46 86.93 47.71 0.00 0.00
246
+ ATOM 246 C PTH 1 80.46 87.93 44.71 0.00 0.00
247
+ ATOM 247 C PTH 1 81.46 83.93 47.71 0.00 0.00
248
+ ATOM 248 C PTH 1 81.46 84.93 46.71 0.00 0.00
249
+ ATOM 249 C PTH 1 81.46 84.93 47.71 0.00 0.00
250
+ ATOM 250 C PTH 1 81.46 84.93 48.71 0.00 0.00
251
+ ATOM 251 C PTH 1 81.46 85.93 47.71 0.00 0.00
data/files/A0076/pocket_06.pdb ADDED
@@ -0,0 +1,221 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 81.46 98.93 50.71 0.00 0.00
2
+ ATOM 2 C PTH 1 81.46 98.93 51.71 0.00 0.00
3
+ ATOM 3 C PTH 1 81.46 98.93 52.71 0.00 0.00
4
+ ATOM 4 C PTH 1 81.46 99.93 50.71 0.00 0.00
5
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6
+ ATOM 6 C PTH 1 81.46 99.93 52.71 0.00 0.00
7
+ ATOM 7 C PTH 1 81.46 100.93 51.71 0.00 0.00
8
+ ATOM 8 C PTH 1 81.46 100.93 52.71 0.00 0.00
9
+ ATOM 9 C PTH 1 82.46 97.93 50.71 0.00 0.00
10
+ ATOM 10 C PTH 1 82.46 97.93 51.71 0.00 0.00
11
+ ATOM 11 C PTH 1 82.46 97.93 52.71 0.00 0.00
12
+ ATOM 12 C PTH 1 82.46 98.93 49.71 0.00 0.00
13
+ ATOM 13 C PTH 1 82.46 98.93 50.71 0.00 0.00
14
+ ATOM 14 C PTH 1 82.46 98.93 51.71 0.00 0.00
15
+ ATOM 15 C PTH 1 82.46 98.93 52.71 0.00 0.00
16
+ ATOM 16 C PTH 1 82.46 99.93 49.71 0.00 0.00
17
+ ATOM 17 C PTH 1 82.46 99.93 50.71 0.00 0.00
18
+ ATOM 18 C PTH 1 82.46 99.93 51.71 0.00 0.00
19
+ ATOM 19 C PTH 1 82.46 99.93 52.71 0.00 0.00
20
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21
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22
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23
+ ATOM 23 C PTH 1 82.46 100.93 52.71 0.00 0.00
24
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25
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26
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27
+ ATOM 27 C PTH 1 83.46 97.93 49.71 0.00 0.00
28
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29
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30
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31
+ ATOM 31 C PTH 1 83.46 98.93 49.71 0.00 0.00
32
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33
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34
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35
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36
+ ATOM 36 C PTH 1 83.46 99.93 49.71 0.00 0.00
37
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38
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39
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40
+ ATOM 40 C PTH 1 83.46 99.93 53.71 0.00 0.00
41
+ ATOM 41 C PTH 1 83.46 100.93 48.71 0.00 0.00
42
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43
+ ATOM 43 C PTH 1 83.46 100.93 50.71 0.00 0.00
44
+ ATOM 44 C PTH 1 83.46 100.93 51.71 0.00 0.00
45
+ ATOM 45 C PTH 1 83.46 100.93 52.71 0.00 0.00
46
+ ATOM 46 C PTH 1 83.46 101.93 48.71 0.00 0.00
47
+ ATOM 47 C PTH 1 83.46 101.93 49.71 0.00 0.00
48
+ ATOM 48 C PTH 1 83.46 101.93 50.71 0.00 0.00
49
+ ATOM 49 C PTH 1 83.46 101.93 51.71 0.00 0.00
50
+ ATOM 50 C PTH 1 83.46 101.93 52.71 0.00 0.00
51
+ ATOM 51 C PTH 1 83.46 102.93 48.71 0.00 0.00
52
+ ATOM 52 C PTH 1 83.46 102.93 49.71 0.00 0.00
53
+ ATOM 53 C PTH 1 83.46 102.93 50.71 0.00 0.00
54
+ ATOM 54 C PTH 1 83.46 102.93 51.71 0.00 0.00
55
+ ATOM 55 C PTH 1 83.46 102.93 52.71 0.00 0.00
56
+ ATOM 56 C PTH 1 83.46 103.93 49.71 0.00 0.00
57
+ ATOM 57 C PTH 1 83.46 103.93 50.71 0.00 0.00
58
+ ATOM 58 C PTH 1 83.46 103.93 51.71 0.00 0.00
59
+ ATOM 59 C PTH 1 83.46 103.93 52.71 0.00 0.00
60
+ ATOM 60 C PTH 1 84.46 97.93 50.71 0.00 0.00
61
+ ATOM 61 C PTH 1 84.46 97.93 51.71 0.00 0.00
62
+ ATOM 62 C PTH 1 84.46 97.93 52.71 0.00 0.00
63
+ ATOM 63 C PTH 1 84.46 98.93 48.71 0.00 0.00
64
+ ATOM 64 C PTH 1 84.46 98.93 49.71 0.00 0.00
65
+ ATOM 65 C PTH 1 84.46 98.93 50.71 0.00 0.00
66
+ ATOM 66 C PTH 1 84.46 98.93 51.71 0.00 0.00
67
+ ATOM 67 C PTH 1 84.46 98.93 52.71 0.00 0.00
68
+ ATOM 68 C PTH 1 84.46 99.93 48.71 0.00 0.00
69
+ ATOM 69 C PTH 1 84.46 99.93 49.71 0.00 0.00
70
+ ATOM 70 C PTH 1 84.46 99.93 50.71 0.00 0.00
71
+ ATOM 71 C PTH 1 84.46 99.93 51.71 0.00 0.00
72
+ ATOM 72 C PTH 1 84.46 99.93 52.71 0.00 0.00
73
+ ATOM 73 C PTH 1 84.46 99.93 53.71 0.00 0.00
74
+ ATOM 74 C PTH 1 84.46 100.93 48.71 0.00 0.00
75
+ ATOM 75 C PTH 1 84.46 100.93 49.71 0.00 0.00
76
+ ATOM 76 C PTH 1 84.46 100.93 50.71 0.00 0.00
77
+ ATOM 77 C PTH 1 84.46 100.93 51.71 0.00 0.00
78
+ ATOM 78 C PTH 1 84.46 100.93 52.71 0.00 0.00
79
+ ATOM 79 C PTH 1 84.46 100.93 53.71 0.00 0.00
80
+ ATOM 80 C PTH 1 84.46 101.93 48.71 0.00 0.00
81
+ ATOM 81 C PTH 1 84.46 101.93 49.71 0.00 0.00
82
+ ATOM 82 C PTH 1 84.46 101.93 50.71 0.00 0.00
83
+ ATOM 83 C PTH 1 84.46 101.93 51.71 0.00 0.00
84
+ ATOM 84 C PTH 1 84.46 101.93 52.71 0.00 0.00
85
+ ATOM 85 C PTH 1 84.46 101.93 53.71 0.00 0.00
86
+ ATOM 86 C PTH 1 84.46 102.93 48.71 0.00 0.00
87
+ ATOM 87 C PTH 1 84.46 102.93 49.71 0.00 0.00
88
+ ATOM 88 C PTH 1 84.46 102.93 50.71 0.00 0.00
89
+ ATOM 89 C PTH 1 84.46 102.93 51.71 0.00 0.00
90
+ ATOM 90 C PTH 1 84.46 102.93 52.71 0.00 0.00
91
+ ATOM 91 C PTH 1 84.46 102.93 53.71 0.00 0.00
92
+ ATOM 92 C PTH 1 84.46 103.93 48.71 0.00 0.00
93
+ ATOM 93 C PTH 1 84.46 103.93 49.71 0.00 0.00
94
+ ATOM 94 C PTH 1 84.46 103.93 50.71 0.00 0.00
95
+ ATOM 95 C PTH 1 84.46 103.93 51.71 0.00 0.00
96
+ ATOM 96 C PTH 1 84.46 103.93 52.71 0.00 0.00
97
+ ATOM 97 C PTH 1 84.46 103.93 53.71 0.00 0.00
98
+ ATOM 98 C PTH 1 84.46 104.93 49.71 0.00 0.00
99
+ ATOM 99 C PTH 1 84.46 104.93 50.71 0.00 0.00
100
+ ATOM 100 C PTH 1 84.46 104.93 51.71 0.00 0.00
101
+ ATOM 101 C PTH 1 84.46 104.93 52.71 0.00 0.00
102
+ ATOM 102 C PTH 1 85.46 97.93 50.71 0.00 0.00
103
+ ATOM 103 C PTH 1 85.46 97.93 51.71 0.00 0.00
104
+ ATOM 104 C PTH 1 85.46 98.93 48.71 0.00 0.00
105
+ ATOM 105 C PTH 1 85.46 98.93 49.71 0.00 0.00
106
+ ATOM 106 C PTH 1 85.46 98.93 50.71 0.00 0.00
107
+ ATOM 107 C PTH 1 85.46 98.93 51.71 0.00 0.00
108
+ ATOM 108 C PTH 1 85.46 98.93 52.71 0.00 0.00
109
+ ATOM 109 C PTH 1 85.46 99.93 48.71 0.00 0.00
110
+ ATOM 110 C PTH 1 85.46 99.93 49.71 0.00 0.00
111
+ ATOM 111 C PTH 1 85.46 99.93 50.71 0.00 0.00
112
+ ATOM 112 C PTH 1 85.46 99.93 51.71 0.00 0.00
113
+ ATOM 113 C PTH 1 85.46 99.93 52.71 0.00 0.00
114
+ ATOM 114 C PTH 1 85.46 100.93 47.71 0.00 0.00
115
+ ATOM 115 C PTH 1 85.46 100.93 48.71 0.00 0.00
116
+ ATOM 116 C PTH 1 85.46 100.93 49.71 0.00 0.00
117
+ ATOM 117 C PTH 1 85.46 100.93 50.71 0.00 0.00
118
+ ATOM 118 C PTH 1 85.46 100.93 51.71 0.00 0.00
119
+ ATOM 119 C PTH 1 85.46 100.93 52.71 0.00 0.00
120
+ ATOM 120 C PTH 1 85.46 100.93 53.71 0.00 0.00
121
+ ATOM 121 C PTH 1 85.46 101.93 47.71 0.00 0.00
122
+ ATOM 122 C PTH 1 85.46 101.93 48.71 0.00 0.00
123
+ ATOM 123 C PTH 1 85.46 101.93 49.71 0.00 0.00
124
+ ATOM 124 C PTH 1 85.46 101.93 50.71 0.00 0.00
125
+ ATOM 125 C PTH 1 85.46 101.93 51.71 0.00 0.00
126
+ ATOM 126 C PTH 1 85.46 101.93 52.71 0.00 0.00
127
+ ATOM 127 C PTH 1 85.46 101.93 53.71 0.00 0.00
128
+ ATOM 128 C PTH 1 85.46 102.93 47.71 0.00 0.00
129
+ ATOM 129 C PTH 1 85.46 102.93 48.71 0.00 0.00
130
+ ATOM 130 C PTH 1 85.46 102.93 49.71 0.00 0.00
131
+ ATOM 131 C PTH 1 85.46 102.93 50.71 0.00 0.00
132
+ ATOM 132 C PTH 1 85.46 102.93 51.71 0.00 0.00
133
+ ATOM 133 C PTH 1 85.46 102.93 52.71 0.00 0.00
134
+ ATOM 134 C PTH 1 85.46 102.93 53.71 0.00 0.00
135
+ ATOM 135 C PTH 1 85.46 103.93 47.71 0.00 0.00
136
+ ATOM 136 C PTH 1 85.46 103.93 48.71 0.00 0.00
137
+ ATOM 137 C PTH 1 85.46 103.93 49.71 0.00 0.00
138
+ ATOM 138 C PTH 1 85.46 103.93 50.71 0.00 0.00
139
+ ATOM 139 C PTH 1 85.46 103.93 51.71 0.00 0.00
140
+ ATOM 140 C PTH 1 85.46 103.93 52.71 0.00 0.00
141
+ ATOM 141 C PTH 1 85.46 103.93 53.71 0.00 0.00
142
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143
+ ATOM 143 C PTH 1 85.46 104.93 50.71 0.00 0.00
144
+ ATOM 144 C PTH 1 85.46 104.93 51.71 0.00 0.00
145
+ ATOM 145 C PTH 1 85.46 104.93 52.71 0.00 0.00
146
+ ATOM 146 C PTH 1 86.46 97.93 50.71 0.00 0.00
147
+ ATOM 147 C PTH 1 86.46 98.93 48.71 0.00 0.00
148
+ ATOM 148 C PTH 1 86.46 98.93 49.71 0.00 0.00
149
+ ATOM 149 C PTH 1 86.46 98.93 50.71 0.00 0.00
150
+ ATOM 150 C PTH 1 86.46 98.93 51.71 0.00 0.00
151
+ ATOM 151 C PTH 1 86.46 99.93 48.71 0.00 0.00
152
+ ATOM 152 C PTH 1 86.46 99.93 49.71 0.00 0.00
153
+ ATOM 153 C PTH 1 86.46 99.93 50.71 0.00 0.00
154
+ ATOM 154 C PTH 1 86.46 99.93 51.71 0.00 0.00
155
+ ATOM 155 C PTH 1 86.46 99.93 52.71 0.00 0.00
156
+ ATOM 156 C PTH 1 86.46 100.93 47.71 0.00 0.00
157
+ ATOM 157 C PTH 1 86.46 100.93 48.71 0.00 0.00
158
+ ATOM 158 C PTH 1 86.46 100.93 49.71 0.00 0.00
159
+ ATOM 159 C PTH 1 86.46 100.93 50.71 0.00 0.00
160
+ ATOM 160 C PTH 1 86.46 100.93 51.71 0.00 0.00
161
+ ATOM 161 C PTH 1 86.46 100.93 52.71 0.00 0.00
162
+ ATOM 162 C PTH 1 86.46 100.93 53.71 0.00 0.00
163
+ ATOM 163 C PTH 1 86.46 101.93 47.71 0.00 0.00
164
+ ATOM 164 C PTH 1 86.46 101.93 48.71 0.00 0.00
165
+ ATOM 165 C PTH 1 86.46 101.93 49.71 0.00 0.00
166
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167
+ ATOM 167 C PTH 1 86.46 101.93 51.71 0.00 0.00
168
+ ATOM 168 C PTH 1 86.46 101.93 52.71 0.00 0.00
169
+ ATOM 169 C PTH 1 86.46 101.93 53.71 0.00 0.00
170
+ ATOM 170 C PTH 1 86.46 102.93 47.71 0.00 0.00
171
+ ATOM 171 C PTH 1 86.46 102.93 48.71 0.00 0.00
172
+ ATOM 172 C PTH 1 86.46 102.93 49.71 0.00 0.00
173
+ ATOM 173 C PTH 1 86.46 102.93 50.71 0.00 0.00
174
+ ATOM 174 C PTH 1 86.46 102.93 51.71 0.00 0.00
175
+ ATOM 175 C PTH 1 86.46 102.93 52.71 0.00 0.00
176
+ ATOM 176 C PTH 1 86.46 102.93 53.71 0.00 0.00
177
+ ATOM 177 C PTH 1 86.46 103.93 47.71 0.00 0.00
178
+ ATOM 178 C PTH 1 86.46 103.93 48.71 0.00 0.00
179
+ ATOM 179 C PTH 1 86.46 103.93 49.71 0.00 0.00
180
+ ATOM 180 C PTH 1 86.46 103.93 50.71 0.00 0.00
181
+ ATOM 181 C PTH 1 86.46 103.93 51.71 0.00 0.00
182
+ ATOM 182 C PTH 1 86.46 103.93 52.71 0.00 0.00
183
+ ATOM 183 C PTH 1 86.46 103.93 53.71 0.00 0.00
184
+ ATOM 184 C PTH 1 86.46 104.93 49.71 0.00 0.00
185
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186
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187
+ ATOM 187 C PTH 1 86.46 104.93 52.71 0.00 0.00
188
+ ATOM 188 C PTH 1 87.46 99.93 49.71 0.00 0.00
189
+ ATOM 189 C PTH 1 87.46 99.93 50.71 0.00 0.00
190
+ ATOM 190 C PTH 1 87.46 99.93 51.71 0.00 0.00
191
+ ATOM 191 C PTH 1 87.46 100.93 48.71 0.00 0.00
192
+ ATOM 192 C PTH 1 87.46 100.93 49.71 0.00 0.00
193
+ ATOM 193 C PTH 1 87.46 100.93 50.71 0.00 0.00
194
+ ATOM 194 C PTH 1 87.46 100.93 51.71 0.00 0.00
195
+ ATOM 195 C PTH 1 87.46 100.93 52.71 0.00 0.00
196
+ ATOM 196 C PTH 1 87.46 101.93 47.71 0.00 0.00
197
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198
+ ATOM 198 C PTH 1 87.46 101.93 49.71 0.00 0.00
199
+ ATOM 199 C PTH 1 87.46 101.93 50.71 0.00 0.00
200
+ ATOM 200 C PTH 1 87.46 101.93 51.71 0.00 0.00
201
+ ATOM 201 C PTH 1 87.46 101.93 52.71 0.00 0.00
202
+ ATOM 202 C PTH 1 87.46 101.93 53.71 0.00 0.00
203
+ ATOM 203 C PTH 1 87.46 102.93 47.71 0.00 0.00
204
+ ATOM 204 C PTH 1 87.46 102.93 48.71 0.00 0.00
205
+ ATOM 205 C PTH 1 87.46 102.93 49.71 0.00 0.00
206
+ ATOM 206 C PTH 1 87.46 102.93 50.71 0.00 0.00
207
+ ATOM 207 C PTH 1 87.46 102.93 51.71 0.00 0.00
208
+ ATOM 208 C PTH 1 87.46 102.93 52.71 0.00 0.00
209
+ ATOM 209 C PTH 1 87.46 102.93 53.71 0.00 0.00
210
+ ATOM 210 C PTH 1 87.46 103.93 48.71 0.00 0.00
211
+ ATOM 211 C PTH 1 87.46 103.93 49.71 0.00 0.00
212
+ ATOM 212 C PTH 1 87.46 103.93 50.71 0.00 0.00
213
+ ATOM 213 C PTH 1 87.46 103.93 51.71 0.00 0.00
214
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215
+ ATOM 215 C PTH 1 87.46 103.93 53.71 0.00 0.00
216
+ ATOM 216 C PTH 1 87.46 103.93 54.71 0.00 0.00
217
+ ATOM 217 C PTH 1 87.46 104.93 50.71 0.00 0.00
218
+ ATOM 218 C PTH 1 87.46 104.93 51.71 0.00 0.00
219
+ ATOM 219 C PTH 1 87.46 104.93 52.71 0.00 0.00
220
+ ATOM 220 C PTH 1 88.46 103.93 53.71 0.00 0.00
221
+ ATOM 221 C PTH 1 88.46 103.93 54.71 0.00 0.00
data/files/A0076/pocket_09.pdb ADDED
@@ -0,0 +1,153 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 84.46 85.93 49.71 0.00 0.00
2
+ ATOM 2 C PTH 1 84.46 85.93 50.71 0.00 0.00
3
+ ATOM 3 C PTH 1 84.46 86.93 50.71 0.00 0.00
4
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5
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6
+ ATOM 6 C PTH 1 84.46 87.93 50.71 0.00 0.00
7
+ ATOM 7 C PTH 1 84.46 87.93 51.71 0.00 0.00
8
+ ATOM 8 C PTH 1 84.46 87.93 52.71 0.00 0.00
9
+ ATOM 9 C PTH 1 84.46 87.93 53.71 0.00 0.00
10
+ ATOM 10 C PTH 1 84.46 88.93 51.71 0.00 0.00
11
+ ATOM 11 C PTH 1 84.46 88.93 52.71 0.00 0.00
12
+ ATOM 12 C PTH 1 84.46 88.93 53.71 0.00 0.00
13
+ ATOM 13 C PTH 1 84.46 89.93 51.71 0.00 0.00
14
+ ATOM 14 C PTH 1 84.46 89.93 52.71 0.00 0.00
15
+ ATOM 15 C PTH 1 84.46 89.93 53.71 0.00 0.00
16
+ ATOM 16 C PTH 1 84.46 89.93 54.71 0.00 0.00
17
+ ATOM 17 C PTH 1 84.46 90.93 51.71 0.00 0.00
18
+ ATOM 18 C PTH 1 84.46 90.93 52.71 0.00 0.00
19
+ ATOM 19 C PTH 1 84.46 90.93 53.71 0.00 0.00
20
+ ATOM 20 C PTH 1 84.46 90.93 54.71 0.00 0.00
21
+ ATOM 21 C PTH 1 84.46 91.93 51.71 0.00 0.00
22
+ ATOM 22 C PTH 1 84.46 91.93 52.71 0.00 0.00
23
+ ATOM 23 C PTH 1 84.46 91.93 53.71 0.00 0.00
24
+ ATOM 24 C PTH 1 84.46 91.93 54.71 0.00 0.00
25
+ ATOM 25 C PTH 1 85.46 85.93 49.71 0.00 0.00
26
+ ATOM 26 C PTH 1 85.46 85.93 50.71 0.00 0.00
27
+ ATOM 27 C PTH 1 85.46 85.93 51.71 0.00 0.00
28
+ ATOM 28 C PTH 1 85.46 86.93 49.71 0.00 0.00
29
+ ATOM 29 C PTH 1 85.46 86.93 50.71 0.00 0.00
30
+ ATOM 30 C PTH 1 85.46 86.93 51.71 0.00 0.00
31
+ ATOM 31 C PTH 1 85.46 86.93 52.71 0.00 0.00
32
+ ATOM 32 C PTH 1 85.46 87.93 50.71 0.00 0.00
33
+ ATOM 33 C PTH 1 85.46 87.93 51.71 0.00 0.00
34
+ ATOM 34 C PTH 1 85.46 87.93 52.71 0.00 0.00
35
+ ATOM 35 C PTH 1 85.46 87.93 53.71 0.00 0.00
36
+ ATOM 36 C PTH 1 85.46 88.93 50.71 0.00 0.00
37
+ ATOM 37 C PTH 1 85.46 88.93 51.71 0.00 0.00
38
+ ATOM 38 C PTH 1 85.46 88.93 52.71 0.00 0.00
39
+ ATOM 39 C PTH 1 85.46 88.93 53.71 0.00 0.00
40
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41
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42
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43
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44
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45
+ ATOM 45 C PTH 1 85.46 89.93 54.71 0.00 0.00
46
+ ATOM 46 C PTH 1 85.46 90.93 51.71 0.00 0.00
47
+ ATOM 47 C PTH 1 85.46 90.93 52.71 0.00 0.00
48
+ ATOM 48 C PTH 1 85.46 90.93 53.71 0.00 0.00
49
+ ATOM 49 C PTH 1 85.46 90.93 54.71 0.00 0.00
50
+ ATOM 50 C PTH 1 85.46 91.93 51.71 0.00 0.00
51
+ ATOM 51 C PTH 1 85.46 91.93 52.71 0.00 0.00
52
+ ATOM 52 C PTH 1 85.46 91.93 53.71 0.00 0.00
53
+ ATOM 53 C PTH 1 85.46 91.93 54.71 0.00 0.00
54
+ ATOM 54 C PTH 1 85.46 91.93 55.71 0.00 0.00
55
+ ATOM 55 C PTH 1 85.46 92.93 53.71 0.00 0.00
56
+ ATOM 56 C PTH 1 85.46 92.93 54.71 0.00 0.00
57
+ ATOM 57 C PTH 1 86.46 85.93 49.71 0.00 0.00
58
+ ATOM 58 C PTH 1 86.46 85.93 50.71 0.00 0.00
59
+ ATOM 59 C PTH 1 86.46 85.93 51.71 0.00 0.00
60
+ ATOM 60 C PTH 1 86.46 86.93 49.71 0.00 0.00
61
+ ATOM 61 C PTH 1 86.46 86.93 50.71 0.00 0.00
62
+ ATOM 62 C PTH 1 86.46 86.93 51.71 0.00 0.00
63
+ ATOM 63 C PTH 1 86.46 86.93 52.71 0.00 0.00
64
+ ATOM 64 C PTH 1 86.46 86.93 53.71 0.00 0.00
65
+ ATOM 65 C PTH 1 86.46 87.93 50.71 0.00 0.00
66
+ ATOM 66 C PTH 1 86.46 87.93 51.71 0.00 0.00
67
+ ATOM 67 C PTH 1 86.46 87.93 52.71 0.00 0.00
68
+ ATOM 68 C PTH 1 86.46 87.93 53.71 0.00 0.00
69
+ ATOM 69 C PTH 1 86.46 88.93 50.71 0.00 0.00
70
+ ATOM 70 C PTH 1 86.46 88.93 51.71 0.00 0.00
71
+ ATOM 71 C PTH 1 86.46 88.93 52.71 0.00 0.00
72
+ ATOM 72 C PTH 1 86.46 88.93 53.71 0.00 0.00
73
+ ATOM 73 C PTH 1 86.46 88.93 54.71 0.00 0.00
74
+ ATOM 74 C PTH 1 86.46 89.93 50.71 0.00 0.00
75
+ ATOM 75 C PTH 1 86.46 89.93 51.71 0.00 0.00
76
+ ATOM 76 C PTH 1 86.46 89.93 52.71 0.00 0.00
77
+ ATOM 77 C PTH 1 86.46 89.93 53.71 0.00 0.00
78
+ ATOM 78 C PTH 1 86.46 89.93 54.71 0.00 0.00
79
+ ATOM 79 C PTH 1 86.46 90.93 50.71 0.00 0.00
80
+ ATOM 80 C PTH 1 86.46 90.93 51.71 0.00 0.00
81
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82
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83
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84
+ ATOM 84 C PTH 1 86.46 91.93 51.71 0.00 0.00
85
+ ATOM 85 C PTH 1 86.46 91.93 52.71 0.00 0.00
86
+ ATOM 86 C PTH 1 86.46 91.93 53.71 0.00 0.00
87
+ ATOM 87 C PTH 1 86.46 91.93 54.71 0.00 0.00
88
+ ATOM 88 C PTH 1 86.46 91.93 55.71 0.00 0.00
89
+ ATOM 89 C PTH 1 86.46 92.93 53.71 0.00 0.00
90
+ ATOM 90 C PTH 1 86.46 92.93 54.71 0.00 0.00
91
+ ATOM 91 C PTH 1 87.46 85.93 49.71 0.00 0.00
92
+ ATOM 92 C PTH 1 87.46 85.93 50.71 0.00 0.00
93
+ ATOM 93 C PTH 1 87.46 85.93 51.71 0.00 0.00
94
+ ATOM 94 C PTH 1 87.46 86.93 49.71 0.00 0.00
95
+ ATOM 95 C PTH 1 87.46 86.93 50.71 0.00 0.00
96
+ ATOM 96 C PTH 1 87.46 86.93 51.71 0.00 0.00
97
+ ATOM 97 C PTH 1 87.46 86.93 52.71 0.00 0.00
98
+ ATOM 98 C PTH 1 87.46 87.93 49.71 0.00 0.00
99
+ ATOM 99 C PTH 1 87.46 87.93 50.71 0.00 0.00
100
+ ATOM 100 C PTH 1 87.46 87.93 51.71 0.00 0.00
101
+ ATOM 101 C PTH 1 87.46 87.93 52.71 0.00 0.00
102
+ ATOM 102 C PTH 1 87.46 87.93 53.71 0.00 0.00
103
+ ATOM 103 C PTH 1 87.46 88.93 49.71 0.00 0.00
104
+ ATOM 104 C PTH 1 87.46 88.93 50.71 0.00 0.00
105
+ ATOM 105 C PTH 1 87.46 88.93 51.71 0.00 0.00
106
+ ATOM 106 C PTH 1 87.46 88.93 52.71 0.00 0.00
107
+ ATOM 107 C PTH 1 87.46 88.93 53.71 0.00 0.00
108
+ ATOM 108 C PTH 1 87.46 89.93 50.71 0.00 0.00
109
+ ATOM 109 C PTH 1 87.46 89.93 51.71 0.00 0.00
110
+ ATOM 110 C PTH 1 87.46 89.93 52.71 0.00 0.00
111
+ ATOM 111 C PTH 1 87.46 89.93 53.71 0.00 0.00
112
+ ATOM 112 C PTH 1 87.46 90.93 50.71 0.00 0.00
113
+ ATOM 113 C PTH 1 87.46 90.93 51.71 0.00 0.00
114
+ ATOM 114 C PTH 1 87.46 90.93 52.71 0.00 0.00
115
+ ATOM 115 C PTH 1 87.46 90.93 53.71 0.00 0.00
116
+ ATOM 116 C PTH 1 87.46 91.93 51.71 0.00 0.00
117
+ ATOM 117 C PTH 1 87.46 91.93 52.71 0.00 0.00
118
+ ATOM 118 C PTH 1 87.46 91.93 53.71 0.00 0.00
119
+ ATOM 119 C PTH 1 88.46 85.93 49.71 0.00 0.00
120
+ ATOM 120 C PTH 1 88.46 85.93 50.71 0.00 0.00
121
+ ATOM 121 C PTH 1 88.46 85.93 51.71 0.00 0.00
122
+ ATOM 122 C PTH 1 88.46 86.93 48.71 0.00 0.00
123
+ ATOM 123 C PTH 1 88.46 86.93 49.71 0.00 0.00
124
+ ATOM 124 C PTH 1 88.46 86.93 50.71 0.00 0.00
125
+ ATOM 125 C PTH 1 88.46 86.93 51.71 0.00 0.00
126
+ ATOM 126 C PTH 1 88.46 86.93 52.71 0.00 0.00
127
+ ATOM 127 C PTH 1 88.46 87.93 49.71 0.00 0.00
128
+ ATOM 128 C PTH 1 88.46 87.93 50.71 0.00 0.00
129
+ ATOM 129 C PTH 1 88.46 87.93 51.71 0.00 0.00
130
+ ATOM 130 C PTH 1 88.46 87.93 52.71 0.00 0.00
131
+ ATOM 131 C PTH 1 88.46 88.93 49.71 0.00 0.00
132
+ ATOM 132 C PTH 1 88.46 88.93 50.71 0.00 0.00
133
+ ATOM 133 C PTH 1 88.46 88.93 51.71 0.00 0.00
134
+ ATOM 134 C PTH 1 88.46 88.93 52.71 0.00 0.00
135
+ ATOM 135 C PTH 1 88.46 89.93 50.71 0.00 0.00
136
+ ATOM 136 C PTH 1 88.46 89.93 51.71 0.00 0.00
137
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138
+ ATOM 138 C PTH 1 88.46 90.93 50.71 0.00 0.00
139
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140
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141
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142
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143
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144
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145
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146
+ ATOM 146 C PTH 1 89.46 86.93 51.71 0.00 0.00
147
+ ATOM 147 C PTH 1 89.46 87.93 49.71 0.00 0.00
148
+ ATOM 148 C PTH 1 89.46 87.93 50.71 0.00 0.00
149
+ ATOM 149 C PTH 1 89.46 87.93 51.71 0.00 0.00
150
+ ATOM 150 C PTH 1 89.46 88.93 49.71 0.00 0.00
151
+ ATOM 151 C PTH 1 89.46 88.93 50.71 0.00 0.00
152
+ ATOM 152 C PTH 1 89.46 88.93 51.71 0.00 0.00
153
+ ATOM 153 C PTH 1 90.46 86.93 49.71 0.00 0.00
data/files/A0076/pocket_10.pdb ADDED
@@ -0,0 +1,132 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 85.46 102.93 63.71 0.00 0.00
2
+ ATOM 2 C PTH 1 86.46 101.93 64.71 0.00 0.00
3
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88
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+ ATOM 132 C PTH 1 90.46 105.93 67.71 0.00 0.00
data/files/A0076/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A007B/pocket_01.pdb ADDED
@@ -0,0 +1,97 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 19.42 67.87 46.93 0.00 0.00
2
+ ATOM 2 C PTH 1 19.42 68.87 46.93 0.00 0.00
3
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67
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68
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69
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86
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87
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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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97
+ ATOM 97 C PTH 1 23.42 73.87 46.93 0.00 0.00
data/files/A007B/pocket_03.pdb ADDED
@@ -0,0 +1,58 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 11.42 68.87 33.93 0.00 0.00
2
+ ATOM 2 C PTH 1 11.42 68.87 34.93 0.00 0.00
3
+ ATOM 3 C PTH 1 11.42 69.87 33.93 0.00 0.00
4
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5
+ ATOM 5 C PTH 1 11.42 69.87 35.93 0.00 0.00
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+ ATOM 11 C PTH 1 11.42 71.87 35.93 0.00 0.00
12
+ ATOM 12 C PTH 1 12.42 68.87 33.93 0.00 0.00
13
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14
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+ ATOM 16 C PTH 1 12.42 69.87 33.93 0.00 0.00
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+ ATOM 58 C PTH 1 14.42 71.87 35.93 0.00 0.00
data/files/A007L/pocket_02.pdb ADDED
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1
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data/files/A007L/pocket_03.pdb ADDED
@@ -0,0 +1,131 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A007L/pocket_04.pdb ADDED
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1
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data/files/A007L/pocket_05.pdb ADDED
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1
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data/files/A007L/pocket_06.pdb ADDED
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data/files/A007L/structure.pdb ADDED
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data/files/A007W/pocket_01.pdb ADDED
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1
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+ ATOM 28 C PTH 1 96.05 83.79 49.25 0.00 0.00
29
+ ATOM 29 C PTH 1 96.05 83.79 50.25 0.00 0.00
30
+ ATOM 30 C PTH 1 96.05 83.79 51.25 0.00 0.00
31
+ ATOM 31 C PTH 1 96.05 84.79 43.25 0.00 0.00
32
+ ATOM 32 C PTH 1 96.05 84.79 44.25 0.00 0.00
33
+ ATOM 33 C PTH 1 96.05 84.79 45.25 0.00 0.00
34
+ ATOM 34 C PTH 1 96.05 84.79 46.25 0.00 0.00
35
+ ATOM 35 C PTH 1 96.05 85.79 43.25 0.00 0.00
36
+ ATOM 36 C PTH 1 96.05 85.79 44.25 0.00 0.00
37
+ ATOM 37 C PTH 1 96.05 85.79 45.25 0.00 0.00
38
+ ATOM 38 C PTH 1 97.05 79.79 52.25 0.00 0.00
39
+ ATOM 39 C PTH 1 97.05 79.79 53.25 0.00 0.00
40
+ ATOM 40 C PTH 1 97.05 80.79 50.25 0.00 0.00
41
+ ATOM 41 C PTH 1 97.05 80.79 51.25 0.00 0.00
42
+ ATOM 42 C PTH 1 97.05 80.79 52.25 0.00 0.00
43
+ ATOM 43 C PTH 1 97.05 80.79 53.25 0.00 0.00
44
+ ATOM 44 C PTH 1 97.05 80.79 54.25 0.00 0.00
45
+ ATOM 45 C PTH 1 97.05 81.79 44.25 0.00 0.00
46
+ ATOM 46 C PTH 1 97.05 81.79 45.25 0.00 0.00
47
+ ATOM 47 C PTH 1 97.05 81.79 46.25 0.00 0.00
48
+ ATOM 48 C PTH 1 97.05 81.79 47.25 0.00 0.00
49
+ ATOM 49 C PTH 1 97.05 81.79 49.25 0.00 0.00
50
+ ATOM 50 C PTH 1 97.05 81.79 50.25 0.00 0.00
51
+ ATOM 51 C PTH 1 97.05 81.79 51.25 0.00 0.00
52
+ ATOM 52 C PTH 1 97.05 81.79 52.25 0.00 0.00
53
+ ATOM 53 C PTH 1 97.05 81.79 53.25 0.00 0.00
54
+ ATOM 54 C PTH 1 97.05 81.79 54.25 0.00 0.00
55
+ ATOM 55 C PTH 1 97.05 82.79 43.25 0.00 0.00
56
+ ATOM 56 C PTH 1 97.05 82.79 44.25 0.00 0.00
57
+ ATOM 57 C PTH 1 97.05 82.79 45.25 0.00 0.00
58
+ ATOM 58 C PTH 1 97.05 82.79 46.25 0.00 0.00
59
+ ATOM 59 C PTH 1 97.05 82.79 47.25 0.00 0.00
60
+ ATOM 60 C PTH 1 97.05 82.79 48.25 0.00 0.00
61
+ ATOM 61 C PTH 1 97.05 82.79 49.25 0.00 0.00
62
+ ATOM 62 C PTH 1 97.05 82.79 50.25 0.00 0.00
63
+ ATOM 63 C PTH 1 97.05 82.79 51.25 0.00 0.00
64
+ ATOM 64 C PTH 1 97.05 82.79 52.25 0.00 0.00
65
+ ATOM 65 C PTH 1 97.05 82.79 53.25 0.00 0.00
66
+ ATOM 66 C PTH 1 97.05 82.79 54.25 0.00 0.00
67
+ ATOM 67 C PTH 1 97.05 83.79 43.25 0.00 0.00
68
+ ATOM 68 C PTH 1 97.05 83.79 44.25 0.00 0.00
69
+ ATOM 69 C PTH 1 97.05 83.79 45.25 0.00 0.00
70
+ ATOM 70 C PTH 1 97.05 83.79 46.25 0.00 0.00
71
+ ATOM 71 C PTH 1 97.05 83.79 47.25 0.00 0.00
72
+ ATOM 72 C PTH 1 97.05 83.79 48.25 0.00 0.00
73
+ ATOM 73 C PTH 1 97.05 83.79 49.25 0.00 0.00
74
+ ATOM 74 C PTH 1 97.05 83.79 50.25 0.00 0.00
75
+ ATOM 75 C PTH 1 97.05 83.79 51.25 0.00 0.00
76
+ ATOM 76 C PTH 1 97.05 84.79 43.25 0.00 0.00
77
+ ATOM 77 C PTH 1 97.05 84.79 44.25 0.00 0.00
78
+ ATOM 78 C PTH 1 97.05 84.79 45.25 0.00 0.00
79
+ ATOM 79 C PTH 1 97.05 84.79 46.25 0.00 0.00
80
+ ATOM 80 C PTH 1 97.05 84.79 47.25 0.00 0.00
81
+ ATOM 81 C PTH 1 97.05 84.79 48.25 0.00 0.00
82
+ ATOM 82 C PTH 1 97.05 84.79 49.25 0.00 0.00
83
+ ATOM 83 C PTH 1 97.05 84.79 50.25 0.00 0.00
84
+ ATOM 84 C PTH 1 97.05 84.79 51.25 0.00 0.00
85
+ ATOM 85 C PTH 1 97.05 85.79 43.25 0.00 0.00
86
+ ATOM 86 C PTH 1 97.05 85.79 44.25 0.00 0.00
87
+ ATOM 87 C PTH 1 97.05 85.79 45.25 0.00 0.00
88
+ ATOM 88 C PTH 1 97.05 85.79 46.25 0.00 0.00
89
+ ATOM 89 C PTH 1 97.05 85.79 49.25 0.00 0.00
90
+ ATOM 90 C PTH 1 97.05 85.79 50.25 0.00 0.00
91
+ ATOM 91 C PTH 1 97.05 85.79 51.25 0.00 0.00
92
+ ATOM 92 C PTH 1 98.05 79.79 52.25 0.00 0.00
93
+ ATOM 93 C PTH 1 98.05 80.79 50.25 0.00 0.00
94
+ ATOM 94 C PTH 1 98.05 80.79 51.25 0.00 0.00
95
+ ATOM 95 C PTH 1 98.05 80.79 52.25 0.00 0.00
96
+ ATOM 96 C PTH 1 98.05 80.79 53.25 0.00 0.00
97
+ ATOM 97 C PTH 1 98.05 80.79 54.25 0.00 0.00
98
+ ATOM 98 C PTH 1 98.05 81.79 44.25 0.00 0.00
99
+ ATOM 99 C PTH 1 98.05 81.79 45.25 0.00 0.00
100
+ ATOM 100 C PTH 1 98.05 81.79 46.25 0.00 0.00
101
+ ATOM 101 C PTH 1 98.05 81.79 47.25 0.00 0.00
102
+ ATOM 102 C PTH 1 98.05 81.79 48.25 0.00 0.00
103
+ ATOM 103 C PTH 1 98.05 81.79 49.25 0.00 0.00
104
+ ATOM 104 C PTH 1 98.05 81.79 50.25 0.00 0.00
105
+ ATOM 105 C PTH 1 98.05 81.79 51.25 0.00 0.00
106
+ ATOM 106 C PTH 1 98.05 81.79 52.25 0.00 0.00
107
+ ATOM 107 C PTH 1 98.05 81.79 53.25 0.00 0.00
108
+ ATOM 108 C PTH 1 98.05 81.79 54.25 0.00 0.00
109
+ ATOM 109 C PTH 1 98.05 82.79 43.25 0.00 0.00
110
+ ATOM 110 C PTH 1 98.05 82.79 44.25 0.00 0.00
111
+ ATOM 111 C PTH 1 98.05 82.79 45.25 0.00 0.00
112
+ ATOM 112 C PTH 1 98.05 82.79 46.25 0.00 0.00
113
+ ATOM 113 C PTH 1 98.05 82.79 47.25 0.00 0.00
114
+ ATOM 114 C PTH 1 98.05 82.79 48.25 0.00 0.00
115
+ ATOM 115 C PTH 1 98.05 82.79 49.25 0.00 0.00
116
+ ATOM 116 C PTH 1 98.05 82.79 50.25 0.00 0.00
117
+ ATOM 117 C PTH 1 98.05 82.79 51.25 0.00 0.00
118
+ ATOM 118 C PTH 1 98.05 82.79 52.25 0.00 0.00
119
+ ATOM 119 C PTH 1 98.05 82.79 53.25 0.00 0.00
120
+ ATOM 120 C PTH 1 98.05 83.79 43.25 0.00 0.00
121
+ ATOM 121 C PTH 1 98.05 83.79 44.25 0.00 0.00
122
+ ATOM 122 C PTH 1 98.05 83.79 45.25 0.00 0.00
123
+ ATOM 123 C PTH 1 98.05 83.79 46.25 0.00 0.00
124
+ ATOM 124 C PTH 1 98.05 83.79 47.25 0.00 0.00
125
+ ATOM 125 C PTH 1 98.05 83.79 48.25 0.00 0.00
126
+ ATOM 126 C PTH 1 98.05 83.79 49.25 0.00 0.00
127
+ ATOM 127 C PTH 1 98.05 83.79 50.25 0.00 0.00
128
+ ATOM 128 C PTH 1 98.05 83.79 51.25 0.00 0.00
129
+ ATOM 129 C PTH 1 98.05 83.79 52.25 0.00 0.00
130
+ ATOM 130 C PTH 1 98.05 84.79 43.25 0.00 0.00
131
+ ATOM 131 C PTH 1 98.05 84.79 44.25 0.00 0.00
132
+ ATOM 132 C PTH 1 98.05 84.79 45.25 0.00 0.00
133
+ ATOM 133 C PTH 1 98.05 84.79 46.25 0.00 0.00
134
+ ATOM 134 C PTH 1 98.05 84.79 47.25 0.00 0.00
135
+ ATOM 135 C PTH 1 98.05 84.79 48.25 0.00 0.00
136
+ ATOM 136 C PTH 1 98.05 84.79 49.25 0.00 0.00
137
+ ATOM 137 C PTH 1 98.05 84.79 50.25 0.00 0.00
138
+ ATOM 138 C PTH 1 98.05 84.79 51.25 0.00 0.00
139
+ ATOM 139 C PTH 1 98.05 85.79 43.25 0.00 0.00
140
+ ATOM 140 C PTH 1 98.05 85.79 44.25 0.00 0.00
141
+ ATOM 141 C PTH 1 98.05 85.79 45.25 0.00 0.00
142
+ ATOM 142 C PTH 1 98.05 85.79 46.25 0.00 0.00
143
+ ATOM 143 C PTH 1 98.05 85.79 47.25 0.00 0.00
144
+ ATOM 144 C PTH 1 98.05 85.79 48.25 0.00 0.00
145
+ ATOM 145 C PTH 1 98.05 85.79 49.25 0.00 0.00
146
+ ATOM 146 C PTH 1 98.05 85.79 50.25 0.00 0.00
147
+ ATOM 147 C PTH 1 98.05 85.79 51.25 0.00 0.00
148
+ ATOM 148 C PTH 1 99.05 80.79 50.25 0.00 0.00
149
+ ATOM 149 C PTH 1 99.05 80.79 51.25 0.00 0.00
150
+ ATOM 150 C PTH 1 99.05 80.79 52.25 0.00 0.00
151
+ ATOM 151 C PTH 1 99.05 80.79 53.25 0.00 0.00
152
+ ATOM 152 C PTH 1 99.05 81.79 43.25 0.00 0.00
153
+ ATOM 153 C PTH 1 99.05 81.79 44.25 0.00 0.00
154
+ ATOM 154 C PTH 1 99.05 81.79 45.25 0.00 0.00
155
+ ATOM 155 C PTH 1 99.05 81.79 46.25 0.00 0.00
156
+ ATOM 156 C PTH 1 99.05 81.79 47.25 0.00 0.00
157
+ ATOM 157 C PTH 1 99.05 81.79 48.25 0.00 0.00
158
+ ATOM 158 C PTH 1 99.05 81.79 49.25 0.00 0.00
159
+ ATOM 159 C PTH 1 99.05 81.79 50.25 0.00 0.00
160
+ ATOM 160 C PTH 1 99.05 81.79 51.25 0.00 0.00
161
+ ATOM 161 C PTH 1 99.05 81.79 52.25 0.00 0.00
162
+ ATOM 162 C PTH 1 99.05 81.79 53.25 0.00 0.00
163
+ ATOM 163 C PTH 1 99.05 82.79 43.25 0.00 0.00
164
+ ATOM 164 C PTH 1 99.05 82.79 44.25 0.00 0.00
165
+ ATOM 165 C PTH 1 99.05 82.79 45.25 0.00 0.00
166
+ ATOM 166 C PTH 1 99.05 82.79 46.25 0.00 0.00
167
+ ATOM 167 C PTH 1 99.05 82.79 47.25 0.00 0.00
168
+ ATOM 168 C PTH 1 99.05 82.79 48.25 0.00 0.00
169
+ ATOM 169 C PTH 1 99.05 82.79 49.25 0.00 0.00
170
+ ATOM 170 C PTH 1 99.05 82.79 50.25 0.00 0.00
171
+ ATOM 171 C PTH 1 99.05 82.79 51.25 0.00 0.00
172
+ ATOM 172 C PTH 1 99.05 82.79 52.25 0.00 0.00
173
+ ATOM 173 C PTH 1 99.05 82.79 53.25 0.00 0.00
174
+ ATOM 174 C PTH 1 99.05 83.79 43.25 0.00 0.00
175
+ ATOM 175 C PTH 1 99.05 83.79 44.25 0.00 0.00
176
+ ATOM 176 C PTH 1 99.05 83.79 45.25 0.00 0.00
177
+ ATOM 177 C PTH 1 99.05 83.79 46.25 0.00 0.00
178
+ ATOM 178 C PTH 1 99.05 83.79 47.25 0.00 0.00
179
+ ATOM 179 C PTH 1 99.05 83.79 48.25 0.00 0.00
180
+ ATOM 180 C PTH 1 99.05 83.79 49.25 0.00 0.00
181
+ ATOM 181 C PTH 1 99.05 83.79 50.25 0.00 0.00
182
+ ATOM 182 C PTH 1 99.05 83.79 51.25 0.00 0.00
183
+ ATOM 183 C PTH 1 99.05 83.79 52.25 0.00 0.00
184
+ ATOM 184 C PTH 1 99.05 84.79 43.25 0.00 0.00
185
+ ATOM 185 C PTH 1 99.05 84.79 44.25 0.00 0.00
186
+ ATOM 186 C PTH 1 99.05 84.79 45.25 0.00 0.00
187
+ ATOM 187 C PTH 1 99.05 84.79 46.25 0.00 0.00
188
+ ATOM 188 C PTH 1 99.05 84.79 47.25 0.00 0.00
189
+ ATOM 189 C PTH 1 99.05 84.79 48.25 0.00 0.00
190
+ ATOM 190 C PTH 1 99.05 84.79 49.25 0.00 0.00
191
+ ATOM 191 C PTH 1 99.05 84.79 50.25 0.00 0.00
192
+ ATOM 192 C PTH 1 99.05 84.79 51.25 0.00 0.00
193
+ ATOM 193 C PTH 1 99.05 84.79 52.25 0.00 0.00
194
+ ATOM 194 C PTH 1 99.05 85.79 43.25 0.00 0.00
195
+ ATOM 195 C PTH 1 99.05 85.79 44.25 0.00 0.00
196
+ ATOM 196 C PTH 1 99.05 85.79 45.25 0.00 0.00
197
+ ATOM 197 C PTH 1 99.05 85.79 46.25 0.00 0.00
198
+ ATOM 198 C PTH 1 99.05 85.79 47.25 0.00 0.00
199
+ ATOM 199 C PTH 1 99.05 85.79 48.25 0.00 0.00
200
+ ATOM 200 C PTH 1 99.05 85.79 49.25 0.00 0.00
201
+ ATOM 201 C PTH 1 99.05 85.79 50.25 0.00 0.00
202
+ ATOM 202 C PTH 1 99.05 85.79 51.25 0.00 0.00
203
+ ATOM 203 C PTH 1 99.05 85.79 52.25 0.00 0.00
204
+ ATOM 204 C PTH 1 100.05 76.79 42.25 0.00 0.00
205
+ ATOM 205 C PTH 1 100.05 76.79 43.25 0.00 0.00
206
+ ATOM 206 C PTH 1 100.05 76.79 44.25 0.00 0.00
207
+ ATOM 207 C PTH 1 100.05 76.79 45.25 0.00 0.00
208
+ ATOM 208 C PTH 1 100.05 77.79 44.25 0.00 0.00
209
+ ATOM 209 C PTH 1 100.05 77.79 45.25 0.00 0.00
210
+ ATOM 210 C PTH 1 100.05 78.79 45.25 0.00 0.00
211
+ ATOM 211 C PTH 1 100.05 80.79 45.25 0.00 0.00
212
+ ATOM 212 C PTH 1 100.05 80.79 46.25 0.00 0.00
213
+ ATOM 213 C PTH 1 100.05 81.79 44.25 0.00 0.00
214
+ ATOM 214 C PTH 1 100.05 81.79 45.25 0.00 0.00
215
+ ATOM 215 C PTH 1 100.05 81.79 46.25 0.00 0.00
216
+ ATOM 216 C PTH 1 100.05 81.79 47.25 0.00 0.00
217
+ ATOM 217 C PTH 1 100.05 81.79 50.25 0.00 0.00
218
+ ATOM 218 C PTH 1 100.05 81.79 51.25 0.00 0.00
219
+ ATOM 219 C PTH 1 100.05 81.79 52.25 0.00 0.00
220
+ ATOM 220 C PTH 1 100.05 82.79 43.25 0.00 0.00
221
+ ATOM 221 C PTH 1 100.05 82.79 44.25 0.00 0.00
222
+ ATOM 222 C PTH 1 100.05 82.79 45.25 0.00 0.00
223
+ ATOM 223 C PTH 1 100.05 82.79 46.25 0.00 0.00
224
+ ATOM 224 C PTH 1 100.05 82.79 47.25 0.00 0.00
225
+ ATOM 225 C PTH 1 100.05 82.79 48.25 0.00 0.00
226
+ ATOM 226 C PTH 1 100.05 82.79 49.25 0.00 0.00
227
+ ATOM 227 C PTH 1 100.05 82.79 50.25 0.00 0.00
228
+ ATOM 228 C PTH 1 100.05 82.79 51.25 0.00 0.00
229
+ ATOM 229 C PTH 1 100.05 82.79 52.25 0.00 0.00
230
+ ATOM 230 C PTH 1 100.05 82.79 53.25 0.00 0.00
231
+ ATOM 231 C PTH 1 100.05 83.79 43.25 0.00 0.00
232
+ ATOM 232 C PTH 1 100.05 83.79 44.25 0.00 0.00
233
+ ATOM 233 C PTH 1 100.05 83.79 45.25 0.00 0.00
234
+ ATOM 234 C PTH 1 100.05 83.79 46.25 0.00 0.00
235
+ ATOM 235 C PTH 1 100.05 83.79 47.25 0.00 0.00
236
+ ATOM 236 C PTH 1 100.05 83.79 48.25 0.00 0.00
237
+ ATOM 237 C PTH 1 100.05 83.79 49.25 0.00 0.00
238
+ ATOM 238 C PTH 1 100.05 83.79 50.25 0.00 0.00
239
+ ATOM 239 C PTH 1 100.05 83.79 51.25 0.00 0.00
240
+ ATOM 240 C PTH 1 100.05 83.79 52.25 0.00 0.00
241
+ ATOM 241 C PTH 1 100.05 83.79 53.25 0.00 0.00
242
+ ATOM 242 C PTH 1 100.05 84.79 43.25 0.00 0.00
243
+ ATOM 243 C PTH 1 100.05 84.79 44.25 0.00 0.00
244
+ ATOM 244 C PTH 1 100.05 84.79 45.25 0.00 0.00
245
+ ATOM 245 C PTH 1 100.05 84.79 46.25 0.00 0.00
246
+ ATOM 246 C PTH 1 100.05 84.79 47.25 0.00 0.00
247
+ ATOM 247 C PTH 1 100.05 84.79 48.25 0.00 0.00
248
+ ATOM 248 C PTH 1 100.05 84.79 49.25 0.00 0.00
249
+ ATOM 249 C PTH 1 100.05 84.79 50.25 0.00 0.00
250
+ ATOM 250 C PTH 1 100.05 84.79 51.25 0.00 0.00
251
+ ATOM 251 C PTH 1 100.05 84.79 52.25 0.00 0.00
252
+ ATOM 252 C PTH 1 100.05 85.79 44.25 0.00 0.00
253
+ ATOM 253 C PTH 1 100.05 85.79 45.25 0.00 0.00
254
+ ATOM 254 C PTH 1 100.05 85.79 46.25 0.00 0.00
255
+ ATOM 255 C PTH 1 100.05 85.79 47.25 0.00 0.00
256
+ ATOM 256 C PTH 1 100.05 85.79 48.25 0.00 0.00
257
+ ATOM 257 C PTH 1 100.05 85.79 49.25 0.00 0.00
258
+ ATOM 258 C PTH 1 100.05 85.79 50.25 0.00 0.00
259
+ ATOM 259 C PTH 1 100.05 85.79 51.25 0.00 0.00
260
+ ATOM 260 C PTH 1 100.05 85.79 52.25 0.00 0.00
261
+ ATOM 261 C PTH 1 101.05 75.79 42.25 0.00 0.00
262
+ ATOM 262 C PTH 1 101.05 75.79 43.25 0.00 0.00
263
+ ATOM 263 C PTH 1 101.05 75.79 44.25 0.00 0.00
264
+ ATOM 264 C PTH 1 101.05 76.79 41.25 0.00 0.00
265
+ ATOM 265 C PTH 1 101.05 76.79 42.25 0.00 0.00
266
+ ATOM 266 C PTH 1 101.05 76.79 43.25 0.00 0.00
267
+ ATOM 267 C PTH 1 101.05 76.79 44.25 0.00 0.00
268
+ ATOM 268 C PTH 1 101.05 76.79 45.25 0.00 0.00
269
+ ATOM 269 C PTH 1 101.05 77.79 41.25 0.00 0.00
270
+ ATOM 270 C PTH 1 101.05 77.79 42.25 0.00 0.00
271
+ ATOM 271 C PTH 1 101.05 77.79 43.25 0.00 0.00
272
+ ATOM 272 C PTH 1 101.05 77.79 44.25 0.00 0.00
273
+ ATOM 273 C PTH 1 101.05 77.79 45.25 0.00 0.00
274
+ ATOM 274 C PTH 1 101.05 78.79 41.25 0.00 0.00
275
+ ATOM 275 C PTH 1 101.05 78.79 42.25 0.00 0.00
276
+ ATOM 276 C PTH 1 101.05 78.79 43.25 0.00 0.00
277
+ ATOM 277 C PTH 1 101.05 78.79 44.25 0.00 0.00
278
+ ATOM 278 C PTH 1 101.05 78.79 45.25 0.00 0.00
279
+ ATOM 279 C PTH 1 101.05 78.79 46.25 0.00 0.00
280
+ ATOM 280 C PTH 1 101.05 79.79 42.25 0.00 0.00
281
+ ATOM 281 C PTH 1 101.05 79.79 43.25 0.00 0.00
282
+ ATOM 282 C PTH 1 101.05 79.79 44.25 0.00 0.00
283
+ ATOM 283 C PTH 1 101.05 79.79 45.25 0.00 0.00
284
+ ATOM 284 C PTH 1 101.05 79.79 46.25 0.00 0.00
285
+ ATOM 285 C PTH 1 101.05 80.79 44.25 0.00 0.00
286
+ ATOM 286 C PTH 1 101.05 80.79 45.25 0.00 0.00
287
+ ATOM 287 C PTH 1 101.05 80.79 46.25 0.00 0.00
288
+ ATOM 288 C PTH 1 101.05 81.79 44.25 0.00 0.00
289
+ ATOM 289 C PTH 1 101.05 81.79 45.25 0.00 0.00
290
+ ATOM 290 C PTH 1 101.05 81.79 46.25 0.00 0.00
291
+ ATOM 291 C PTH 1 101.05 81.79 47.25 0.00 0.00
292
+ ATOM 292 C PTH 1 101.05 82.79 44.25 0.00 0.00
293
+ ATOM 293 C PTH 1 101.05 82.79 45.25 0.00 0.00
294
+ ATOM 294 C PTH 1 101.05 82.79 46.25 0.00 0.00
295
+ ATOM 295 C PTH 1 101.05 82.79 47.25 0.00 0.00
296
+ ATOM 296 C PTH 1 101.05 82.79 48.25 0.00 0.00
297
+ ATOM 297 C PTH 1 101.05 82.79 49.25 0.00 0.00
298
+ ATOM 298 C PTH 1 101.05 82.79 50.25 0.00 0.00
299
+ ATOM 299 C PTH 1 101.05 82.79 51.25 0.00 0.00
300
+ ATOM 300 C PTH 1 101.05 83.79 44.25 0.00 0.00
301
+ ATOM 301 C PTH 1 101.05 83.79 45.25 0.00 0.00
302
+ ATOM 302 C PTH 1 101.05 83.79 46.25 0.00 0.00
303
+ ATOM 303 C PTH 1 101.05 83.79 47.25 0.00 0.00
304
+ ATOM 304 C PTH 1 101.05 83.79 48.25 0.00 0.00
305
+ ATOM 305 C PTH 1 101.05 83.79 49.25 0.00 0.00
306
+ ATOM 306 C PTH 1 101.05 83.79 50.25 0.00 0.00
307
+ ATOM 307 C PTH 1 101.05 83.79 51.25 0.00 0.00
308
+ ATOM 308 C PTH 1 101.05 84.79 44.25 0.00 0.00
309
+ ATOM 309 C PTH 1 101.05 84.79 45.25 0.00 0.00
310
+ ATOM 310 C PTH 1 101.05 84.79 46.25 0.00 0.00
311
+ ATOM 311 C PTH 1 101.05 84.79 47.25 0.00 0.00
312
+ ATOM 312 C PTH 1 101.05 84.79 48.25 0.00 0.00
313
+ ATOM 313 C PTH 1 101.05 84.79 49.25 0.00 0.00
314
+ ATOM 314 C PTH 1 101.05 84.79 50.25 0.00 0.00
315
+ ATOM 315 C PTH 1 101.05 84.79 51.25 0.00 0.00
316
+ ATOM 316 C PTH 1 101.05 85.79 47.25 0.00 0.00
317
+ ATOM 317 C PTH 1 101.05 85.79 48.25 0.00 0.00
318
+ ATOM 318 C PTH 1 101.05 85.79 49.25 0.00 0.00
319
+ ATOM 319 C PTH 1 101.05 85.79 50.25 0.00 0.00
320
+ ATOM 320 C PTH 1 101.05 85.79 51.25 0.00 0.00
321
+ ATOM 321 C PTH 1 102.05 75.79 41.25 0.00 0.00
322
+ ATOM 322 C PTH 1 102.05 75.79 42.25 0.00 0.00
323
+ ATOM 323 C PTH 1 102.05 75.79 43.25 0.00 0.00
324
+ ATOM 324 C PTH 1 102.05 75.79 44.25 0.00 0.00
325
+ ATOM 325 C PTH 1 102.05 75.79 45.25 0.00 0.00
326
+ ATOM 326 C PTH 1 102.05 76.79 41.25 0.00 0.00
327
+ ATOM 327 C PTH 1 102.05 76.79 42.25 0.00 0.00
328
+ ATOM 328 C PTH 1 102.05 76.79 43.25 0.00 0.00
329
+ ATOM 329 C PTH 1 102.05 76.79 44.25 0.00 0.00
330
+ ATOM 330 C PTH 1 102.05 76.79 45.25 0.00 0.00
331
+ ATOM 331 C PTH 1 102.05 77.79 41.25 0.00 0.00
332
+ ATOM 332 C PTH 1 102.05 77.79 42.25 0.00 0.00
333
+ ATOM 333 C PTH 1 102.05 77.79 43.25 0.00 0.00
334
+ ATOM 334 C PTH 1 102.05 77.79 44.25 0.00 0.00
335
+ ATOM 335 C PTH 1 102.05 77.79 45.25 0.00 0.00
336
+ ATOM 336 C PTH 1 102.05 77.79 46.25 0.00 0.00
337
+ ATOM 337 C PTH 1 102.05 78.79 41.25 0.00 0.00
338
+ ATOM 338 C PTH 1 102.05 78.79 42.25 0.00 0.00
339
+ ATOM 339 C PTH 1 102.05 78.79 43.25 0.00 0.00
340
+ ATOM 340 C PTH 1 102.05 78.79 44.25 0.00 0.00
341
+ ATOM 341 C PTH 1 102.05 78.79 45.25 0.00 0.00
342
+ ATOM 342 C PTH 1 102.05 78.79 46.25 0.00 0.00
343
+ ATOM 343 C PTH 1 102.05 79.79 41.25 0.00 0.00
344
+ ATOM 344 C PTH 1 102.05 79.79 42.25 0.00 0.00
345
+ ATOM 345 C PTH 1 102.05 79.79 43.25 0.00 0.00
346
+ ATOM 346 C PTH 1 102.05 79.79 44.25 0.00 0.00
347
+ ATOM 347 C PTH 1 102.05 79.79 45.25 0.00 0.00
348
+ ATOM 348 C PTH 1 102.05 79.79 46.25 0.00 0.00
349
+ ATOM 349 C PTH 1 102.05 80.79 44.25 0.00 0.00
350
+ ATOM 350 C PTH 1 102.05 80.79 45.25 0.00 0.00
351
+ ATOM 351 C PTH 1 102.05 80.79 46.25 0.00 0.00
352
+ ATOM 352 C PTH 1 102.05 80.79 47.25 0.00 0.00
353
+ ATOM 353 C PTH 1 102.05 81.79 44.25 0.00 0.00
354
+ ATOM 354 C PTH 1 102.05 81.79 45.25 0.00 0.00
355
+ ATOM 355 C PTH 1 102.05 81.79 46.25 0.00 0.00
356
+ ATOM 356 C PTH 1 102.05 81.79 47.25 0.00 0.00
357
+ ATOM 357 C PTH 1 102.05 82.79 44.25 0.00 0.00
358
+ ATOM 358 C PTH 1 102.05 82.79 45.25 0.00 0.00
359
+ ATOM 359 C PTH 1 102.05 82.79 46.25 0.00 0.00
360
+ ATOM 360 C PTH 1 102.05 82.79 47.25 0.00 0.00
361
+ ATOM 361 C PTH 1 102.05 82.79 49.25 0.00 0.00
362
+ ATOM 362 C PTH 1 102.05 82.79 50.25 0.00 0.00
363
+ ATOM 363 C PTH 1 102.05 82.79 51.25 0.00 0.00
364
+ ATOM 364 C PTH 1 102.05 83.79 44.25 0.00 0.00
365
+ ATOM 365 C PTH 1 102.05 83.79 45.25 0.00 0.00
366
+ ATOM 366 C PTH 1 102.05 83.79 46.25 0.00 0.00
367
+ ATOM 367 C PTH 1 102.05 83.79 47.25 0.00 0.00
368
+ ATOM 368 C PTH 1 102.05 83.79 49.25 0.00 0.00
369
+ ATOM 369 C PTH 1 102.05 83.79 50.25 0.00 0.00
370
+ ATOM 370 C PTH 1 102.05 83.79 51.25 0.00 0.00
371
+ ATOM 371 C PTH 1 102.05 84.79 44.25 0.00 0.00
372
+ ATOM 372 C PTH 1 102.05 84.79 45.25 0.00 0.00
373
+ ATOM 373 C PTH 1 102.05 84.79 46.25 0.00 0.00
374
+ ATOM 374 C PTH 1 102.05 84.79 49.25 0.00 0.00
375
+ ATOM 375 C PTH 1 102.05 84.79 50.25 0.00 0.00
376
+ ATOM 376 C PTH 1 102.05 84.79 51.25 0.00 0.00
377
+ ATOM 377 C PTH 1 102.05 85.79 49.25 0.00 0.00
378
+ ATOM 378 C PTH 1 102.05 85.79 50.25 0.00 0.00
379
+ ATOM 379 C PTH 1 102.05 85.79 51.25 0.00 0.00
380
+ ATOM 380 C PTH 1 103.05 75.79 41.25 0.00 0.00
381
+ ATOM 381 C PTH 1 103.05 75.79 42.25 0.00 0.00
382
+ ATOM 382 C PTH 1 103.05 75.79 43.25 0.00 0.00
383
+ ATOM 383 C PTH 1 103.05 75.79 44.25 0.00 0.00
384
+ ATOM 384 C PTH 1 103.05 75.79 45.25 0.00 0.00
385
+ ATOM 385 C PTH 1 103.05 76.79 41.25 0.00 0.00
386
+ ATOM 386 C PTH 1 103.05 76.79 42.25 0.00 0.00
387
+ ATOM 387 C PTH 1 103.05 76.79 43.25 0.00 0.00
388
+ ATOM 388 C PTH 1 103.05 76.79 44.25 0.00 0.00
389
+ ATOM 389 C PTH 1 103.05 76.79 45.25 0.00 0.00
390
+ ATOM 390 C PTH 1 103.05 77.79 41.25 0.00 0.00
391
+ ATOM 391 C PTH 1 103.05 77.79 42.25 0.00 0.00
392
+ ATOM 392 C PTH 1 103.05 77.79 43.25 0.00 0.00
393
+ ATOM 393 C PTH 1 103.05 77.79 44.25 0.00 0.00
394
+ ATOM 394 C PTH 1 103.05 77.79 45.25 0.00 0.00
395
+ ATOM 395 C PTH 1 103.05 77.79 46.25 0.00 0.00
396
+ ATOM 396 C PTH 1 103.05 78.79 41.25 0.00 0.00
397
+ ATOM 397 C PTH 1 103.05 78.79 42.25 0.00 0.00
398
+ ATOM 398 C PTH 1 103.05 78.79 43.25 0.00 0.00
399
+ ATOM 399 C PTH 1 103.05 78.79 44.25 0.00 0.00
400
+ ATOM 400 C PTH 1 103.05 78.79 45.25 0.00 0.00
401
+ ATOM 401 C PTH 1 103.05 78.79 46.25 0.00 0.00
402
+ ATOM 402 C PTH 1 103.05 79.79 41.25 0.00 0.00
403
+ ATOM 403 C PTH 1 103.05 79.79 42.25 0.00 0.00
404
+ ATOM 404 C PTH 1 103.05 79.79 43.25 0.00 0.00
405
+ ATOM 405 C PTH 1 103.05 79.79 44.25 0.00 0.00
406
+ ATOM 406 C PTH 1 103.05 79.79 45.25 0.00 0.00
407
+ ATOM 407 C PTH 1 103.05 79.79 46.25 0.00 0.00
408
+ ATOM 408 C PTH 1 103.05 79.79 47.25 0.00 0.00
409
+ ATOM 409 C PTH 1 103.05 80.79 44.25 0.00 0.00
410
+ ATOM 410 C PTH 1 103.05 80.79 45.25 0.00 0.00
411
+ ATOM 411 C PTH 1 103.05 80.79 46.25 0.00 0.00
412
+ ATOM 412 C PTH 1 103.05 80.79 47.25 0.00 0.00
413
+ ATOM 413 C PTH 1 103.05 81.79 44.25 0.00 0.00
414
+ ATOM 414 C PTH 1 103.05 81.79 45.25 0.00 0.00
415
+ ATOM 415 C PTH 1 103.05 81.79 46.25 0.00 0.00
416
+ ATOM 416 C PTH 1 103.05 81.79 47.25 0.00 0.00
417
+ ATOM 417 C PTH 1 103.05 82.79 44.25 0.00 0.00
418
+ ATOM 418 C PTH 1 103.05 82.79 45.25 0.00 0.00
419
+ ATOM 419 C PTH 1 103.05 82.79 46.25 0.00 0.00
420
+ ATOM 420 C PTH 1 103.05 82.79 47.25 0.00 0.00
421
+ ATOM 421 C PTH 1 104.05 75.79 41.25 0.00 0.00
422
+ ATOM 422 C PTH 1 104.05 75.79 42.25 0.00 0.00
423
+ ATOM 423 C PTH 1 104.05 75.79 43.25 0.00 0.00
424
+ ATOM 424 C PTH 1 104.05 75.79 44.25 0.00 0.00
425
+ ATOM 425 C PTH 1 104.05 75.79 45.25 0.00 0.00
426
+ ATOM 426 C PTH 1 104.05 76.79 41.25 0.00 0.00
427
+ ATOM 427 C PTH 1 104.05 76.79 42.25 0.00 0.00
428
+ ATOM 428 C PTH 1 104.05 76.79 43.25 0.00 0.00
429
+ ATOM 429 C PTH 1 104.05 76.79 44.25 0.00 0.00
430
+ ATOM 430 C PTH 1 104.05 76.79 45.25 0.00 0.00
431
+ ATOM 431 C PTH 1 104.05 77.79 41.25 0.00 0.00
432
+ ATOM 432 C PTH 1 104.05 77.79 42.25 0.00 0.00
433
+ ATOM 433 C PTH 1 104.05 77.79 43.25 0.00 0.00
434
+ ATOM 434 C PTH 1 104.05 77.79 44.25 0.00 0.00
435
+ ATOM 435 C PTH 1 104.05 77.79 45.25 0.00 0.00
436
+ ATOM 436 C PTH 1 104.05 78.79 41.25 0.00 0.00
437
+ ATOM 437 C PTH 1 104.05 78.79 42.25 0.00 0.00
438
+ ATOM 438 C PTH 1 104.05 78.79 43.25 0.00 0.00
439
+ ATOM 439 C PTH 1 104.05 78.79 44.25 0.00 0.00
440
+ ATOM 440 C PTH 1 104.05 78.79 45.25 0.00 0.00
441
+ ATOM 441 C PTH 1 104.05 78.79 46.25 0.00 0.00
442
+ ATOM 442 C PTH 1 104.05 79.79 42.25 0.00 0.00
443
+ ATOM 443 C PTH 1 104.05 79.79 43.25 0.00 0.00
444
+ ATOM 444 C PTH 1 104.05 79.79 44.25 0.00 0.00
445
+ ATOM 445 C PTH 1 104.05 79.79 45.25 0.00 0.00
446
+ ATOM 446 C PTH 1 104.05 79.79 46.25 0.00 0.00
447
+ ATOM 447 C PTH 1 104.05 79.79 47.25 0.00 0.00
448
+ ATOM 448 C PTH 1 104.05 80.79 44.25 0.00 0.00
449
+ ATOM 449 C PTH 1 104.05 80.79 45.25 0.00 0.00
450
+ ATOM 450 C PTH 1 104.05 80.79 46.25 0.00 0.00
451
+ ATOM 451 C PTH 1 104.05 80.79 47.25 0.00 0.00
452
+ ATOM 452 C PTH 1 104.05 81.79 44.25 0.00 0.00
453
+ ATOM 453 C PTH 1 104.05 81.79 45.25 0.00 0.00
454
+ ATOM 454 C PTH 1 104.05 81.79 46.25 0.00 0.00
455
+ ATOM 455 C PTH 1 104.05 81.79 47.25 0.00 0.00
456
+ ATOM 456 C PTH 1 104.05 82.79 44.25 0.00 0.00
457
+ ATOM 457 C PTH 1 104.05 82.79 45.25 0.00 0.00
458
+ ATOM 458 C PTH 1 104.05 82.79 46.25 0.00 0.00
459
+ ATOM 459 C PTH 1 104.05 82.79 47.25 0.00 0.00
460
+ ATOM 460 C PTH 1 105.05 74.79 41.25 0.00 0.00
461
+ ATOM 461 C PTH 1 105.05 74.79 42.25 0.00 0.00
462
+ ATOM 462 C PTH 1 105.05 74.79 43.25 0.00 0.00
463
+ ATOM 463 C PTH 1 105.05 75.79 41.25 0.00 0.00
464
+ ATOM 464 C PTH 1 105.05 75.79 42.25 0.00 0.00
465
+ ATOM 465 C PTH 1 105.05 75.79 43.25 0.00 0.00
466
+ ATOM 466 C PTH 1 105.05 75.79 44.25 0.00 0.00
467
+ ATOM 467 C PTH 1 105.05 76.79 41.25 0.00 0.00
468
+ ATOM 468 C PTH 1 105.05 76.79 42.25 0.00 0.00
469
+ ATOM 469 C PTH 1 105.05 76.79 43.25 0.00 0.00
470
+ ATOM 470 C PTH 1 105.05 76.79 44.25 0.00 0.00
471
+ ATOM 471 C PTH 1 105.05 77.79 41.25 0.00 0.00
472
+ ATOM 472 C PTH 1 105.05 77.79 42.25 0.00 0.00
473
+ ATOM 473 C PTH 1 105.05 77.79 43.25 0.00 0.00
474
+ ATOM 474 C PTH 1 105.05 77.79 44.25 0.00 0.00
475
+ ATOM 475 C PTH 1 105.05 78.79 42.25 0.00 0.00
476
+ ATOM 476 C PTH 1 105.05 78.79 43.25 0.00 0.00
477
+ ATOM 477 C PTH 1 105.05 78.79 44.25 0.00 0.00
478
+ ATOM 478 C PTH 1 105.05 78.79 45.25 0.00 0.00
479
+ ATOM 479 C PTH 1 105.05 78.79 46.25 0.00 0.00
480
+ ATOM 480 C PTH 1 105.05 79.79 43.25 0.00 0.00
481
+ ATOM 481 C PTH 1 105.05 79.79 44.25 0.00 0.00
482
+ ATOM 482 C PTH 1 105.05 79.79 45.25 0.00 0.00
483
+ ATOM 483 C PTH 1 105.05 79.79 46.25 0.00 0.00
484
+ ATOM 484 C PTH 1 105.05 79.79 47.25 0.00 0.00
485
+ ATOM 485 C PTH 1 105.05 80.79 44.25 0.00 0.00
486
+ ATOM 486 C PTH 1 105.05 80.79 45.25 0.00 0.00
487
+ ATOM 487 C PTH 1 105.05 80.79 46.25 0.00 0.00
488
+ ATOM 488 C PTH 1 105.05 80.79 47.25 0.00 0.00
489
+ ATOM 489 C PTH 1 105.05 81.79 44.25 0.00 0.00
490
+ ATOM 490 C PTH 1 105.05 81.79 45.25 0.00 0.00
491
+ ATOM 491 C PTH 1 105.05 81.79 46.25 0.00 0.00
492
+ ATOM 492 C PTH 1 105.05 81.79 47.25 0.00 0.00
493
+ ATOM 493 C PTH 1 105.05 82.79 47.25 0.00 0.00
494
+ ATOM 494 C PTH 1 106.05 74.79 41.25 0.00 0.00
495
+ ATOM 495 C PTH 1 106.05 74.79 42.25 0.00 0.00
496
+ ATOM 496 C PTH 1 106.05 75.79 41.25 0.00 0.00
497
+ ATOM 497 C PTH 1 106.05 75.79 42.25 0.00 0.00
498
+ ATOM 498 C PTH 1 106.05 79.79 44.25 0.00 0.00
499
+ ATOM 499 C PTH 1 106.05 79.79 45.25 0.00 0.00
500
+ ATOM 500 C PTH 1 106.05 79.79 46.25 0.00 0.00
501
+ ATOM 501 C PTH 1 106.05 80.79 44.25 0.00 0.00
502
+ ATOM 502 C PTH 1 106.05 80.79 45.25 0.00 0.00
503
+ ATOM 503 C PTH 1 106.05 80.79 46.25 0.00 0.00
data/files/A007W/pocket_03.pdb ADDED
@@ -0,0 +1,195 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 112.05 90.79 43.25 0.00 0.00
2
+ ATOM 2 C PTH 1 112.05 90.79 44.25 0.00 0.00
3
+ ATOM 3 C PTH 1 112.05 91.79 44.25 0.00 0.00
4
+ ATOM 4 C PTH 1 112.05 91.79 45.25 0.00 0.00
5
+ ATOM 5 C PTH 1 112.05 92.79 44.25 0.00 0.00
6
+ ATOM 6 C PTH 1 112.05 92.79 45.25 0.00 0.00
7
+ ATOM 7 C PTH 1 113.05 91.79 43.25 0.00 0.00
8
+ ATOM 8 C PTH 1 113.05 91.79 44.25 0.00 0.00
9
+ ATOM 9 C PTH 1 113.05 91.79 45.25 0.00 0.00
10
+ ATOM 10 C PTH 1 113.05 92.79 43.25 0.00 0.00
11
+ ATOM 11 C PTH 1 113.05 92.79 44.25 0.00 0.00
12
+ ATOM 12 C PTH 1 113.05 92.79 45.25 0.00 0.00
13
+ ATOM 13 C PTH 1 113.05 92.79 46.25 0.00 0.00
14
+ ATOM 14 C PTH 1 113.05 93.79 43.25 0.00 0.00
15
+ ATOM 15 C PTH 1 113.05 93.79 44.25 0.00 0.00
16
+ ATOM 16 C PTH 1 113.05 93.79 45.25 0.00 0.00
17
+ ATOM 17 C PTH 1 113.05 93.79 46.25 0.00 0.00
18
+ ATOM 18 C PTH 1 113.05 94.79 44.25 0.00 0.00
19
+ ATOM 19 C PTH 1 114.05 90.79 45.25 0.00 0.00
20
+ ATOM 20 C PTH 1 114.05 91.79 43.25 0.00 0.00
21
+ ATOM 21 C PTH 1 114.05 91.79 44.25 0.00 0.00
22
+ ATOM 22 C PTH 1 114.05 91.79 45.25 0.00 0.00
23
+ ATOM 23 C PTH 1 114.05 91.79 46.25 0.00 0.00
24
+ ATOM 24 C PTH 1 114.05 91.79 47.25 0.00 0.00
25
+ ATOM 25 C PTH 1 114.05 91.79 48.25 0.00 0.00
26
+ ATOM 26 C PTH 1 114.05 92.79 43.25 0.00 0.00
27
+ ATOM 27 C PTH 1 114.05 92.79 44.25 0.00 0.00
28
+ ATOM 28 C PTH 1 114.05 92.79 45.25 0.00 0.00
29
+ ATOM 29 C PTH 1 114.05 92.79 46.25 0.00 0.00
30
+ ATOM 30 C PTH 1 114.05 92.79 47.25 0.00 0.00
31
+ ATOM 31 C PTH 1 114.05 92.79 48.25 0.00 0.00
32
+ ATOM 32 C PTH 1 114.05 93.79 43.25 0.00 0.00
33
+ ATOM 33 C PTH 1 114.05 93.79 44.25 0.00 0.00
34
+ ATOM 34 C PTH 1 114.05 93.79 45.25 0.00 0.00
35
+ ATOM 35 C PTH 1 114.05 93.79 46.25 0.00 0.00
36
+ ATOM 36 C PTH 1 114.05 93.79 47.25 0.00 0.00
37
+ ATOM 37 C PTH 1 114.05 93.79 48.25 0.00 0.00
38
+ ATOM 38 C PTH 1 114.05 94.79 43.25 0.00 0.00
39
+ ATOM 39 C PTH 1 114.05 94.79 44.25 0.00 0.00
40
+ ATOM 40 C PTH 1 114.05 94.79 45.25 0.00 0.00
41
+ ATOM 41 C PTH 1 114.05 94.79 46.25 0.00 0.00
42
+ ATOM 42 C PTH 1 114.05 94.79 47.25 0.00 0.00
43
+ ATOM 43 C PTH 1 114.05 94.79 48.25 0.00 0.00
44
+ ATOM 44 C PTH 1 115.05 90.79 43.25 0.00 0.00
45
+ ATOM 45 C PTH 1 115.05 90.79 44.25 0.00 0.00
46
+ ATOM 46 C PTH 1 115.05 90.79 45.25 0.00 0.00
47
+ ATOM 47 C PTH 1 115.05 90.79 46.25 0.00 0.00
48
+ ATOM 48 C PTH 1 115.05 90.79 47.25 0.00 0.00
49
+ ATOM 49 C PTH 1 115.05 90.79 48.25 0.00 0.00
50
+ ATOM 50 C PTH 1 115.05 91.79 42.25 0.00 0.00
51
+ ATOM 51 C PTH 1 115.05 91.79 43.25 0.00 0.00
52
+ ATOM 52 C PTH 1 115.05 91.79 44.25 0.00 0.00
53
+ ATOM 53 C PTH 1 115.05 91.79 45.25 0.00 0.00
54
+ ATOM 54 C PTH 1 115.05 91.79 46.25 0.00 0.00
55
+ ATOM 55 C PTH 1 115.05 91.79 47.25 0.00 0.00
56
+ ATOM 56 C PTH 1 115.05 91.79 48.25 0.00 0.00
57
+ ATOM 57 C PTH 1 115.05 92.79 42.25 0.00 0.00
58
+ ATOM 58 C PTH 1 115.05 92.79 43.25 0.00 0.00
59
+ ATOM 59 C PTH 1 115.05 92.79 44.25 0.00 0.00
60
+ ATOM 60 C PTH 1 115.05 92.79 45.25 0.00 0.00
61
+ ATOM 61 C PTH 1 115.05 92.79 46.25 0.00 0.00
62
+ ATOM 62 C PTH 1 115.05 92.79 47.25 0.00 0.00
63
+ ATOM 63 C PTH 1 115.05 92.79 48.25 0.00 0.00
64
+ ATOM 64 C PTH 1 115.05 93.79 43.25 0.00 0.00
65
+ ATOM 65 C PTH 1 115.05 93.79 44.25 0.00 0.00
66
+ ATOM 66 C PTH 1 115.05 93.79 45.25 0.00 0.00
67
+ ATOM 67 C PTH 1 115.05 93.79 46.25 0.00 0.00
68
+ ATOM 68 C PTH 1 115.05 93.79 47.25 0.00 0.00
69
+ ATOM 69 C PTH 1 115.05 93.79 48.25 0.00 0.00
70
+ ATOM 70 C PTH 1 115.05 94.79 44.25 0.00 0.00
71
+ ATOM 71 C PTH 1 115.05 94.79 45.25 0.00 0.00
72
+ ATOM 72 C PTH 1 115.05 94.79 46.25 0.00 0.00
73
+ ATOM 73 C PTH 1 115.05 94.79 47.25 0.00 0.00
74
+ ATOM 74 C PTH 1 115.05 94.79 48.25 0.00 0.00
75
+ ATOM 75 C PTH 1 116.05 89.79 42.25 0.00 0.00
76
+ ATOM 76 C PTH 1 116.05 89.79 43.25 0.00 0.00
77
+ ATOM 77 C PTH 1 116.05 89.79 44.25 0.00 0.00
78
+ ATOM 78 C PTH 1 116.05 89.79 45.25 0.00 0.00
79
+ ATOM 79 C PTH 1 116.05 89.79 46.25 0.00 0.00
80
+ ATOM 80 C PTH 1 116.05 89.79 47.25 0.00 0.00
81
+ ATOM 81 C PTH 1 116.05 90.79 41.25 0.00 0.00
82
+ ATOM 82 C PTH 1 116.05 90.79 42.25 0.00 0.00
83
+ ATOM 83 C PTH 1 116.05 90.79 43.25 0.00 0.00
84
+ ATOM 84 C PTH 1 116.05 90.79 44.25 0.00 0.00
85
+ ATOM 85 C PTH 1 116.05 90.79 45.25 0.00 0.00
86
+ ATOM 86 C PTH 1 116.05 90.79 46.25 0.00 0.00
87
+ ATOM 87 C PTH 1 116.05 90.79 47.25 0.00 0.00
88
+ ATOM 88 C PTH 1 116.05 90.79 48.25 0.00 0.00
89
+ ATOM 89 C PTH 1 116.05 91.79 41.25 0.00 0.00
90
+ ATOM 90 C PTH 1 116.05 91.79 42.25 0.00 0.00
91
+ ATOM 91 C PTH 1 116.05 91.79 43.25 0.00 0.00
92
+ ATOM 92 C PTH 1 116.05 91.79 44.25 0.00 0.00
93
+ ATOM 93 C PTH 1 116.05 91.79 45.25 0.00 0.00
94
+ ATOM 94 C PTH 1 116.05 91.79 46.25 0.00 0.00
95
+ ATOM 95 C PTH 1 116.05 91.79 47.25 0.00 0.00
96
+ ATOM 96 C PTH 1 116.05 91.79 48.25 0.00 0.00
97
+ ATOM 97 C PTH 1 116.05 92.79 41.25 0.00 0.00
98
+ ATOM 98 C PTH 1 116.05 92.79 42.25 0.00 0.00
99
+ ATOM 99 C PTH 1 116.05 92.79 43.25 0.00 0.00
100
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101
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102
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111
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114
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195
+ ATOM 195 C PTH 1 119.05 91.79 43.25 0.00 0.00
data/files/A007W/pocket_06.pdb ADDED
@@ -0,0 +1,138 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 112.05 86.79 41.25 0.00 0.00
2
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+ ATOM 138 C PTH 1 117.05 87.79 39.25 0.00 0.00
data/files/A007W/pocket_08.pdb ADDED
@@ -0,0 +1,112 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 84.05 81.79 23.25 0.00 0.00
2
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47
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51
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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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78
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79
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80
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81
+ ATOM 81 C PTH 1 87.05 82.79 22.25 0.00 0.00
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
+ ATOM 87 C PTH 1 87.05 83.79 22.25 0.00 0.00
88
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89
+ ATOM 89 C PTH 1 87.05 83.79 24.25 0.00 0.00
90
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91
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92
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93
+ ATOM 93 C PTH 1 87.05 84.79 23.25 0.00 0.00
94
+ ATOM 94 C PTH 1 87.05 84.79 24.25 0.00 0.00
95
+ ATOM 95 C PTH 1 87.05 84.79 25.25 0.00 0.00
96
+ ATOM 96 C PTH 1 87.05 84.79 26.25 0.00 0.00
97
+ ATOM 97 C PTH 1 88.05 81.79 23.25 0.00 0.00
98
+ ATOM 98 C PTH 1 88.05 81.79 24.25 0.00 0.00
99
+ ATOM 99 C PTH 1 88.05 81.79 25.25 0.00 0.00
100
+ ATOM 100 C PTH 1 88.05 81.79 26.25 0.00 0.00
101
+ ATOM 101 C PTH 1 88.05 82.79 23.25 0.00 0.00
102
+ ATOM 102 C PTH 1 88.05 82.79 24.25 0.00 0.00
103
+ ATOM 103 C PTH 1 88.05 82.79 25.25 0.00 0.00
104
+ ATOM 104 C PTH 1 88.05 82.79 26.25 0.00 0.00
105
+ ATOM 105 C PTH 1 88.05 82.79 27.25 0.00 0.00
106
+ ATOM 106 C PTH 1 88.05 83.79 23.25 0.00 0.00
107
+ ATOM 107 C PTH 1 88.05 83.79 24.25 0.00 0.00
108
+ ATOM 108 C PTH 1 88.05 83.79 25.25 0.00 0.00
109
+ ATOM 109 C PTH 1 88.05 83.79 26.25 0.00 0.00
110
+ ATOM 110 C PTH 1 88.05 84.79 24.25 0.00 0.00
111
+ ATOM 111 C PTH 1 88.05 84.79 25.25 0.00 0.00
112
+ ATOM 112 C PTH 1 88.05 84.79 26.25 0.00 0.00
data/files/A007W/pocket_09.pdb ADDED
@@ -0,0 +1,101 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 61.05 97.79 52.25 0.00 0.00
2
+ ATOM 2 C PTH 1 61.05 97.79 53.25 0.00 0.00
3
+ ATOM 3 C PTH 1 61.05 97.79 54.25 0.00 0.00
4
+ ATOM 4 C PTH 1 61.05 98.79 52.25 0.00 0.00
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+ ATOM 5 C PTH 1 61.05 98.79 53.25 0.00 0.00
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7
+ ATOM 7 C PTH 1 61.05 99.79 52.25 0.00 0.00
8
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9
+ ATOM 9 C PTH 1 61.05 99.79 54.25 0.00 0.00
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+ ATOM 10 C PTH 1 61.05 100.79 53.25 0.00 0.00
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+ ATOM 11 C PTH 1 62.05 96.79 53.25 0.00 0.00
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13
+ ATOM 13 C PTH 1 62.05 97.79 51.25 0.00 0.00
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+ ATOM 17 C PTH 1 62.05 98.79 49.25 0.00 0.00
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+ ATOM 18 C PTH 1 62.05 98.79 50.25 0.00 0.00
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23
+ ATOM 23 C PTH 1 62.05 99.79 49.25 0.00 0.00
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25
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27
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+ ATOM 29 C PTH 1 62.05 100.79 49.25 0.00 0.00
30
+ ATOM 30 C PTH 1 62.05 100.79 50.25 0.00 0.00
31
+ ATOM 31 C PTH 1 62.05 100.79 51.25 0.00 0.00
32
+ ATOM 32 C PTH 1 62.05 100.79 52.25 0.00 0.00
33
+ ATOM 33 C PTH 1 62.05 100.79 53.25 0.00 0.00
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+ ATOM 34 C PTH 1 62.05 101.79 50.25 0.00 0.00
35
+ ATOM 35 C PTH 1 62.05 101.79 51.25 0.00 0.00
36
+ ATOM 36 C PTH 1 62.05 101.79 52.25 0.00 0.00
37
+ ATOM 37 C PTH 1 63.05 96.79 52.25 0.00 0.00
38
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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
+ ATOM 63 C PTH 1 64.05 96.79 52.25 0.00 0.00
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67
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68
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69
+ ATOM 69 C PTH 1 64.05 97.79 53.25 0.00 0.00
70
+ ATOM 70 C PTH 1 64.05 98.79 49.25 0.00 0.00
71
+ ATOM 71 C PTH 1 64.05 98.79 50.25 0.00 0.00
72
+ ATOM 72 C PTH 1 64.05 98.79 51.25 0.00 0.00
73
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74
+ ATOM 74 C PTH 1 64.05 98.79 53.25 0.00 0.00
75
+ ATOM 75 C PTH 1 64.05 99.79 49.25 0.00 0.00
76
+ ATOM 76 C PTH 1 64.05 99.79 50.25 0.00 0.00
77
+ ATOM 77 C PTH 1 64.05 99.79 51.25 0.00 0.00
78
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79
+ ATOM 79 C PTH 1 64.05 99.79 53.25 0.00 0.00
80
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81
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82
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83
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84
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85
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86
+ ATOM 86 C PTH 1 64.05 101.79 52.25 0.00 0.00
87
+ ATOM 87 C PTH 1 65.05 96.79 52.25 0.00 0.00
88
+ ATOM 88 C PTH 1 65.05 97.79 50.25 0.00 0.00
89
+ ATOM 89 C PTH 1 65.05 97.79 51.25 0.00 0.00
90
+ ATOM 90 C PTH 1 65.05 97.79 52.25 0.00 0.00
91
+ ATOM 91 C PTH 1 65.05 98.79 50.25 0.00 0.00
92
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93
+ ATOM 93 C PTH 1 65.05 98.79 52.25 0.00 0.00
94
+ ATOM 94 C PTH 1 65.05 99.79 50.25 0.00 0.00
95
+ ATOM 95 C PTH 1 65.05 99.79 51.25 0.00 0.00
96
+ ATOM 96 C PTH 1 65.05 99.79 52.25 0.00 0.00
97
+ ATOM 97 C PTH 1 65.05 100.79 50.25 0.00 0.00
98
+ ATOM 98 C PTH 1 65.05 100.79 51.25 0.00 0.00
99
+ ATOM 99 C PTH 1 65.05 100.79 52.25 0.00 0.00
100
+ ATOM 100 C PTH 1 66.05 97.79 50.25 0.00 0.00
101
+ ATOM 101 C PTH 1 66.05 97.79 51.25 0.00 0.00
data/files/A007W/pocket_10.pdb ADDED
@@ -0,0 +1,70 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 93.05 70.79 23.25 0.00 0.00
2
+ ATOM 2 C PTH 1 93.05 70.79 24.25 0.00 0.00
3
+ ATOM 3 C PTH 1 93.05 70.79 25.25 0.00 0.00
4
+ ATOM 4 C PTH 1 93.05 71.79 23.25 0.00 0.00
5
+ ATOM 5 C PTH 1 93.05 71.79 24.25 0.00 0.00
6
+ ATOM 6 C PTH 1 93.05 71.79 25.25 0.00 0.00
7
+ ATOM 7 C PTH 1 93.05 72.79 23.25 0.00 0.00
8
+ ATOM 8 C PTH 1 93.05 72.79 24.25 0.00 0.00
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+ ATOM 9 C PTH 1 93.05 72.79 25.25 0.00 0.00
10
+ ATOM 10 C PTH 1 94.05 70.79 22.25 0.00 0.00
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+ ATOM 11 C PTH 1 94.05 70.79 23.25 0.00 0.00
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+ ATOM 12 C PTH 1 94.05 70.79 24.25 0.00 0.00
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+ ATOM 13 C PTH 1 94.05 70.79 25.25 0.00 0.00
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+ ATOM 14 C PTH 1 94.05 71.79 22.25 0.00 0.00
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+ ATOM 15 C PTH 1 94.05 71.79 23.25 0.00 0.00
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+ ATOM 16 C PTH 1 94.05 71.79 24.25 0.00 0.00
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22
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+ ATOM 36 C PTH 1 96.05 70.79 23.25 0.00 0.00
37
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38
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40
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47
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48
+ ATOM 48 C PTH 1 96.05 73.79 24.25 0.00 0.00
49
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50
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51
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53
+ ATOM 53 C PTH 1 97.05 71.79 23.25 0.00 0.00
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56
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59
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61
+ ATOM 61 C PTH 1 97.05 73.79 24.25 0.00 0.00
62
+ ATOM 62 C PTH 1 97.05 73.79 25.25 0.00 0.00
63
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64
+ ATOM 64 C PTH 1 98.05 71.79 24.25 0.00 0.00
65
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66
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67
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68
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69
+ ATOM 69 C PTH 1 98.05 73.79 24.25 0.00 0.00
70
+ ATOM 70 C PTH 1 98.05 73.79 25.25 0.00 0.00
data/files/A007W/structure.pdb ADDED
The diff for this file is too large to render. See raw diff