Hugging Face's logo

Datasets:
DataQuests
/
Dyna_Repo_Inria_MDPosit_Files

Tasks:
Token Classification
Modalities:
Image
Formats:
imagefolder
Size:
10K<n<100K
Tags:
chemistry
biology
medical
Synthetic
Libraries:
Datasets
License:
Dataset card Data Studio Files
xet
Community
1
Tonic commited on
Commit
cd3502f
·
verified ·
1 Parent(s): 34ee052

Add files using upload-large-folder tool

Browse files
This view is limited to 50 files because it contains too many changes.   See raw diff
Files changed (50) hide show
  1. .gitattributes +6 -0
  2. data/files/A000F/pocket_01.pdb +392 -0
  3. data/files/A000F/pocket_02.pdb +337 -0
  4. data/files/A000F/pocket_03.pdb +212 -0
  5. data/files/A000F/pocket_04.pdb +165 -0
  6. data/files/A000F/pocket_05.pdb +153 -0
  7. data/files/A000F/pocket_06.pdb +149 -0
  8. data/files/A000F/pocket_07.pdb +125 -0
  9. data/files/A000F/pocket_08.pdb +122 -0
  10. data/files/A000F/pocket_09.pdb +114 -0
  11. data/files/A000F/pocket_10.pdb +107 -0
  12. data/files/A000F/structure.pdb +0 -0
  13. data/files/A000K/pocket_01.pdb +902 -0
  14. data/files/A000K/pocket_02.pdb +315 -0
  15. data/files/A000K/pocket_03.pdb +253 -0
  16. data/files/A000K/pocket_04.pdb +226 -0
  17. data/files/A000K/pocket_05.pdb +182 -0
  18. data/files/A000K/pocket_06.pdb +175 -0
  19. data/files/A000K/pocket_07.pdb +138 -0
  20. data/files/A000K/pocket_08.pdb +128 -0
  21. data/files/A000K/pocket_09.pdb +115 -0
  22. data/files/A000K/pocket_10.pdb +106 -0
  23. data/files/A000K/structure.pdb +0 -0
  24. data/files/A000L/pocket_01.pdb +259 -0
  25. data/files/A000L/pocket_02.pdb +141 -0
  26. data/files/A000L/pocket_03.pdb +117 -0
  27. data/files/A000L/structure.pdb +0 -0
  28. data/files/A000P/pocket_01.pdb +391 -0
  29. data/files/A000P/pocket_02.pdb +309 -0
  30. data/files/A000P/pocket_03.pdb +85 -0
  31. data/files/A000P/pocket_04.pdb +74 -0
  32. data/files/A000P/pocket_05.pdb +58 -0
  33. data/files/A000P/pocket_06.pdb +45 -0
  34. data/files/A000P/structure.pdb +0 -0
  35. data/files/A000S/pocket_01.pdb +154 -0
  36. data/files/A000S/pocket_02.pdb +125 -0
  37. data/files/A000S/pocket_03.pdb +125 -0
  38. data/files/A000S/pocket_04.pdb +125 -0
  39. data/files/A000S/pocket_05.pdb +107 -0
  40. data/files/A000S/pocket_06.pdb +98 -0
  41. data/files/A000S/pocket_07.pdb +92 -0
  42. data/files/A000S/pocket_08.pdb +75 -0
  43. data/files/A000S/structure.pdb +0 -0
  44. data/files/A000T/pocket_01.pdb +579 -0
  45. data/files/A000T/pocket_02.pdb +445 -0
  46. data/files/A000T/pocket_03.pdb +432 -0
  47. data/files/A000T/pocket_04.pdb +228 -0
  48. data/files/A000T/pocket_05.pdb +206 -0
  49. data/files/A000T/pocket_06.pdb +190 -0
  50. data/files/A000T/pocket_07.pdb +175 -0
.gitattributes CHANGED
@@ -172,3 +172,9 @@ data/files/A00FS/trajectory.xtc filter=lfs diff=lfs merge=lfs -text
172
  data/files/A00F8/trajectory.xtc filter=lfs diff=lfs merge=lfs -text
173
  data/files/A00HO/topology.tpr filter=lfs diff=lfs merge=lfs -text
174
  data/files/A000W/topology.tpr filter=lfs diff=lfs merge=lfs -text
 
 
 
 
 
 
 
172
  data/files/A00F8/trajectory.xtc filter=lfs diff=lfs merge=lfs -text
173
  data/files/A00HO/topology.tpr filter=lfs diff=lfs merge=lfs -text
174
  data/files/A000W/topology.tpr filter=lfs diff=lfs merge=lfs -text
175
+ data/files/A00GR/topology.tpr filter=lfs diff=lfs merge=lfs -text
176
+ data/files/A0019/trajectory.xtc filter=lfs diff=lfs merge=lfs -text
177
+ data/files/A00BR/trajectory.xtc filter=lfs diff=lfs merge=lfs -text
178
+ data/files/A00DD/topology.tpr filter=lfs diff=lfs merge=lfs -text
179
+ data/files/A00CJ/trajectory.xtc filter=lfs diff=lfs merge=lfs -text
180
+ data/files/A00B8/topology.tpr filter=lfs diff=lfs merge=lfs -text
data/files/A000F/pocket_01.pdb ADDED
@@ -0,0 +1,392 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 91.31 86.56 41.11 0.00 0.00
2
+ ATOM 2 C PTH 1 91.31 86.56 42.11 0.00 0.00
3
+ ATOM 3 C PTH 1 91.31 86.56 43.11 0.00 0.00
4
+ ATOM 4 C PTH 1 91.31 87.56 41.11 0.00 0.00
5
+ ATOM 5 C PTH 1 91.31 87.56 42.11 0.00 0.00
6
+ ATOM 6 C PTH 1 91.31 87.56 43.11 0.00 0.00
7
+ ATOM 7 C PTH 1 91.31 88.56 40.11 0.00 0.00
8
+ ATOM 8 C PTH 1 91.31 88.56 41.11 0.00 0.00
9
+ ATOM 9 C PTH 1 91.31 88.56 42.11 0.00 0.00
10
+ ATOM 10 C PTH 1 91.31 88.56 43.11 0.00 0.00
11
+ ATOM 11 C PTH 1 91.31 89.56 41.11 0.00 0.00
12
+ ATOM 12 C PTH 1 91.31 89.56 42.11 0.00 0.00
13
+ ATOM 13 C PTH 1 91.31 89.56 43.11 0.00 0.00
14
+ ATOM 14 C PTH 1 92.31 85.56 41.11 0.00 0.00
15
+ ATOM 15 C PTH 1 92.31 85.56 42.11 0.00 0.00
16
+ ATOM 16 C PTH 1 92.31 85.56 43.11 0.00 0.00
17
+ ATOM 17 C PTH 1 92.31 86.56 40.11 0.00 0.00
18
+ ATOM 18 C PTH 1 92.31 86.56 41.11 0.00 0.00
19
+ ATOM 19 C PTH 1 92.31 86.56 42.11 0.00 0.00
20
+ ATOM 20 C PTH 1 92.31 86.56 43.11 0.00 0.00
21
+ ATOM 21 C PTH 1 92.31 86.56 44.11 0.00 0.00
22
+ ATOM 22 C PTH 1 92.31 87.56 40.11 0.00 0.00
23
+ ATOM 23 C PTH 1 92.31 87.56 41.11 0.00 0.00
24
+ ATOM 24 C PTH 1 92.31 87.56 42.11 0.00 0.00
25
+ ATOM 25 C PTH 1 92.31 87.56 43.11 0.00 0.00
26
+ ATOM 26 C PTH 1 92.31 87.56 44.11 0.00 0.00
27
+ ATOM 27 C PTH 1 92.31 88.56 40.11 0.00 0.00
28
+ ATOM 28 C PTH 1 92.31 88.56 41.11 0.00 0.00
29
+ ATOM 29 C PTH 1 92.31 88.56 42.11 0.00 0.00
30
+ ATOM 30 C PTH 1 92.31 88.56 43.11 0.00 0.00
31
+ ATOM 31 C PTH 1 92.31 88.56 44.11 0.00 0.00
32
+ ATOM 32 C PTH 1 92.31 89.56 40.11 0.00 0.00
33
+ ATOM 33 C PTH 1 92.31 89.56 41.11 0.00 0.00
34
+ ATOM 34 C PTH 1 92.31 89.56 42.11 0.00 0.00
35
+ ATOM 35 C PTH 1 92.31 89.56 43.11 0.00 0.00
36
+ ATOM 36 C PTH 1 92.31 89.56 44.11 0.00 0.00
37
+ ATOM 37 C PTH 1 92.31 90.56 43.11 0.00 0.00
38
+ ATOM 38 C PTH 1 92.31 90.56 44.11 0.00 0.00
39
+ ATOM 39 C PTH 1 93.31 84.56 41.11 0.00 0.00
40
+ ATOM 40 C PTH 1 93.31 84.56 42.11 0.00 0.00
41
+ ATOM 41 C PTH 1 93.31 84.56 43.11 0.00 0.00
42
+ ATOM 42 C PTH 1 93.31 85.56 41.11 0.00 0.00
43
+ ATOM 43 C PTH 1 93.31 85.56 42.11 0.00 0.00
44
+ ATOM 44 C PTH 1 93.31 85.56 43.11 0.00 0.00
45
+ ATOM 45 C PTH 1 93.31 85.56 44.11 0.00 0.00
46
+ ATOM 46 C PTH 1 93.31 86.56 40.11 0.00 0.00
47
+ ATOM 47 C PTH 1 93.31 86.56 41.11 0.00 0.00
48
+ ATOM 48 C PTH 1 93.31 86.56 42.11 0.00 0.00
49
+ ATOM 49 C PTH 1 93.31 86.56 43.11 0.00 0.00
50
+ ATOM 50 C PTH 1 93.31 86.56 44.11 0.00 0.00
51
+ ATOM 51 C PTH 1 93.31 87.56 40.11 0.00 0.00
52
+ ATOM 52 C PTH 1 93.31 87.56 41.11 0.00 0.00
53
+ ATOM 53 C PTH 1 93.31 87.56 42.11 0.00 0.00
54
+ ATOM 54 C PTH 1 93.31 87.56 43.11 0.00 0.00
55
+ ATOM 55 C PTH 1 93.31 87.56 44.11 0.00 0.00
56
+ ATOM 56 C PTH 1 93.31 88.56 40.11 0.00 0.00
57
+ ATOM 57 C PTH 1 93.31 88.56 41.11 0.00 0.00
58
+ ATOM 58 C PTH 1 93.31 88.56 42.11 0.00 0.00
59
+ ATOM 59 C PTH 1 93.31 88.56 43.11 0.00 0.00
60
+ ATOM 60 C PTH 1 93.31 88.56 44.11 0.00 0.00
61
+ ATOM 61 C PTH 1 93.31 88.56 45.11 0.00 0.00
62
+ ATOM 62 C PTH 1 93.31 88.56 46.11 0.00 0.00
63
+ ATOM 63 C PTH 1 93.31 89.56 40.11 0.00 0.00
64
+ ATOM 64 C PTH 1 93.31 89.56 41.11 0.00 0.00
65
+ ATOM 65 C PTH 1 93.31 89.56 42.11 0.00 0.00
66
+ ATOM 66 C PTH 1 93.31 89.56 43.11 0.00 0.00
67
+ ATOM 67 C PTH 1 93.31 89.56 44.11 0.00 0.00
68
+ ATOM 68 C PTH 1 93.31 89.56 45.11 0.00 0.00
69
+ ATOM 69 C PTH 1 93.31 89.56 46.11 0.00 0.00
70
+ ATOM 70 C PTH 1 93.31 90.56 42.11 0.00 0.00
71
+ ATOM 71 C PTH 1 93.31 90.56 43.11 0.00 0.00
72
+ ATOM 72 C PTH 1 93.31 90.56 44.11 0.00 0.00
73
+ ATOM 73 C PTH 1 93.31 90.56 45.11 0.00 0.00
74
+ ATOM 74 C PTH 1 93.31 90.56 46.11 0.00 0.00
75
+ ATOM 75 C PTH 1 93.31 91.56 45.11 0.00 0.00
76
+ ATOM 76 C PTH 1 93.31 91.56 46.11 0.00 0.00
77
+ ATOM 77 C PTH 1 94.31 81.56 39.11 0.00 0.00
78
+ ATOM 78 C PTH 1 94.31 83.56 41.11 0.00 0.00
79
+ ATOM 79 C PTH 1 94.31 83.56 42.11 0.00 0.00
80
+ ATOM 80 C PTH 1 94.31 83.56 43.11 0.00 0.00
81
+ ATOM 81 C PTH 1 94.31 83.56 44.11 0.00 0.00
82
+ ATOM 82 C PTH 1 94.31 84.56 41.11 0.00 0.00
83
+ ATOM 83 C PTH 1 94.31 84.56 42.11 0.00 0.00
84
+ ATOM 84 C PTH 1 94.31 84.56 43.11 0.00 0.00
85
+ ATOM 85 C PTH 1 94.31 84.56 44.11 0.00 0.00
86
+ ATOM 86 C PTH 1 94.31 85.56 40.11 0.00 0.00
87
+ ATOM 87 C PTH 1 94.31 85.56 41.11 0.00 0.00
88
+ ATOM 88 C PTH 1 94.31 85.56 42.11 0.00 0.00
89
+ ATOM 89 C PTH 1 94.31 85.56 43.11 0.00 0.00
90
+ ATOM 90 C PTH 1 94.31 85.56 44.11 0.00 0.00
91
+ ATOM 91 C PTH 1 94.31 86.56 40.11 0.00 0.00
92
+ ATOM 92 C PTH 1 94.31 86.56 41.11 0.00 0.00
93
+ ATOM 93 C PTH 1 94.31 86.56 42.11 0.00 0.00
94
+ ATOM 94 C PTH 1 94.31 86.56 43.11 0.00 0.00
95
+ ATOM 95 C PTH 1 94.31 86.56 44.11 0.00 0.00
96
+ ATOM 96 C PTH 1 94.31 87.56 40.11 0.00 0.00
97
+ ATOM 97 C PTH 1 94.31 87.56 41.11 0.00 0.00
98
+ ATOM 98 C PTH 1 94.31 87.56 42.11 0.00 0.00
99
+ ATOM 99 C PTH 1 94.31 87.56 43.11 0.00 0.00
100
+ ATOM 100 C PTH 1 94.31 87.56 44.11 0.00 0.00
101
+ ATOM 101 C PTH 1 94.31 87.56 45.11 0.00 0.00
102
+ ATOM 102 C PTH 1 94.31 87.56 46.11 0.00 0.00
103
+ ATOM 103 C PTH 1 94.31 88.56 40.11 0.00 0.00
104
+ ATOM 104 C PTH 1 94.31 88.56 41.11 0.00 0.00
105
+ ATOM 105 C PTH 1 94.31 88.56 42.11 0.00 0.00
106
+ ATOM 106 C PTH 1 94.31 88.56 43.11 0.00 0.00
107
+ ATOM 107 C PTH 1 94.31 88.56 44.11 0.00 0.00
108
+ ATOM 108 C PTH 1 94.31 88.56 45.11 0.00 0.00
109
+ ATOM 109 C PTH 1 94.31 88.56 46.11 0.00 0.00
110
+ ATOM 110 C PTH 1 94.31 89.56 41.11 0.00 0.00
111
+ ATOM 111 C PTH 1 94.31 89.56 42.11 0.00 0.00
112
+ ATOM 112 C PTH 1 94.31 89.56 43.11 0.00 0.00
113
+ ATOM 113 C PTH 1 94.31 89.56 44.11 0.00 0.00
114
+ ATOM 114 C PTH 1 94.31 89.56 45.11 0.00 0.00
115
+ ATOM 115 C PTH 1 94.31 89.56 46.11 0.00 0.00
116
+ ATOM 116 C PTH 1 94.31 90.56 42.11 0.00 0.00
117
+ ATOM 117 C PTH 1 94.31 90.56 43.11 0.00 0.00
118
+ ATOM 118 C PTH 1 94.31 90.56 44.11 0.00 0.00
119
+ ATOM 119 C PTH 1 94.31 90.56 45.11 0.00 0.00
120
+ ATOM 120 C PTH 1 94.31 90.56 46.11 0.00 0.00
121
+ ATOM 121 C PTH 1 94.31 91.56 43.11 0.00 0.00
122
+ ATOM 122 C PTH 1 94.31 91.56 44.11 0.00 0.00
123
+ ATOM 123 C PTH 1 94.31 91.56 45.11 0.00 0.00
124
+ ATOM 124 C PTH 1 94.31 91.56 46.11 0.00 0.00
125
+ ATOM 125 C PTH 1 95.31 82.56 39.11 0.00 0.00
126
+ ATOM 126 C PTH 1 95.31 82.56 40.11 0.00 0.00
127
+ ATOM 127 C PTH 1 95.31 82.56 41.11 0.00 0.00
128
+ ATOM 128 C PTH 1 95.31 82.56 42.11 0.00 0.00
129
+ ATOM 129 C PTH 1 95.31 83.56 39.11 0.00 0.00
130
+ ATOM 130 C PTH 1 95.31 83.56 40.11 0.00 0.00
131
+ ATOM 131 C PTH 1 95.31 83.56 41.11 0.00 0.00
132
+ ATOM 132 C PTH 1 95.31 83.56 42.11 0.00 0.00
133
+ ATOM 133 C PTH 1 95.31 83.56 43.11 0.00 0.00
134
+ ATOM 134 C PTH 1 95.31 83.56 44.11 0.00 0.00
135
+ ATOM 135 C PTH 1 95.31 84.56 39.11 0.00 0.00
136
+ ATOM 136 C PTH 1 95.31 84.56 40.11 0.00 0.00
137
+ ATOM 137 C PTH 1 95.31 84.56 41.11 0.00 0.00
138
+ ATOM 138 C PTH 1 95.31 84.56 42.11 0.00 0.00
139
+ ATOM 139 C PTH 1 95.31 84.56 43.11 0.00 0.00
140
+ ATOM 140 C PTH 1 95.31 84.56 44.11 0.00 0.00
141
+ ATOM 141 C PTH 1 95.31 84.56 45.11 0.00 0.00
142
+ ATOM 142 C PTH 1 95.31 85.56 40.11 0.00 0.00
143
+ ATOM 143 C PTH 1 95.31 85.56 41.11 0.00 0.00
144
+ ATOM 144 C PTH 1 95.31 85.56 42.11 0.00 0.00
145
+ ATOM 145 C PTH 1 95.31 85.56 43.11 0.00 0.00
146
+ ATOM 146 C PTH 1 95.31 85.56 44.11 0.00 0.00
147
+ ATOM 147 C PTH 1 95.31 85.56 45.11 0.00 0.00
148
+ ATOM 148 C PTH 1 95.31 86.56 41.11 0.00 0.00
149
+ ATOM 149 C PTH 1 95.31 86.56 42.11 0.00 0.00
150
+ ATOM 150 C PTH 1 95.31 86.56 43.11 0.00 0.00
151
+ ATOM 151 C PTH 1 95.31 86.56 44.11 0.00 0.00
152
+ ATOM 152 C PTH 1 95.31 86.56 45.11 0.00 0.00
153
+ ATOM 153 C PTH 1 95.31 86.56 46.11 0.00 0.00
154
+ ATOM 154 C PTH 1 95.31 87.56 41.11 0.00 0.00
155
+ ATOM 155 C PTH 1 95.31 87.56 42.11 0.00 0.00
156
+ ATOM 156 C PTH 1 95.31 87.56 43.11 0.00 0.00
157
+ ATOM 157 C PTH 1 95.31 87.56 44.11 0.00 0.00
158
+ ATOM 158 C PTH 1 95.31 87.56 45.11 0.00 0.00
159
+ ATOM 159 C PTH 1 95.31 87.56 46.11 0.00 0.00
160
+ ATOM 160 C PTH 1 95.31 88.56 41.11 0.00 0.00
161
+ ATOM 161 C PTH 1 95.31 88.56 42.11 0.00 0.00
162
+ ATOM 162 C PTH 1 95.31 88.56 43.11 0.00 0.00
163
+ ATOM 163 C PTH 1 95.31 88.56 44.11 0.00 0.00
164
+ ATOM 164 C PTH 1 95.31 88.56 45.11 0.00 0.00
165
+ ATOM 165 C PTH 1 95.31 88.56 46.11 0.00 0.00
166
+ ATOM 166 C PTH 1 95.31 89.56 42.11 0.00 0.00
167
+ ATOM 167 C PTH 1 95.31 89.56 43.11 0.00 0.00
168
+ ATOM 168 C PTH 1 95.31 89.56 44.11 0.00 0.00
169
+ ATOM 169 C PTH 1 95.31 89.56 45.11 0.00 0.00
170
+ ATOM 170 C PTH 1 95.31 89.56 46.11 0.00 0.00
171
+ ATOM 171 C PTH 1 95.31 90.56 43.11 0.00 0.00
172
+ ATOM 172 C PTH 1 95.31 90.56 44.11 0.00 0.00
173
+ ATOM 173 C PTH 1 95.31 90.56 45.11 0.00 0.00
174
+ ATOM 174 C PTH 1 95.31 90.56 46.11 0.00 0.00
175
+ ATOM 175 C PTH 1 95.31 91.56 43.11 0.00 0.00
176
+ ATOM 176 C PTH 1 95.31 91.56 44.11 0.00 0.00
177
+ ATOM 177 C PTH 1 95.31 91.56 45.11 0.00 0.00
178
+ ATOM 178 C PTH 1 95.31 91.56 46.11 0.00 0.00
179
+ ATOM 179 C PTH 1 96.31 82.56 39.11 0.00 0.00
180
+ ATOM 180 C PTH 1 96.31 82.56 40.11 0.00 0.00
181
+ ATOM 181 C PTH 1 96.31 82.56 41.11 0.00 0.00
182
+ ATOM 182 C PTH 1 96.31 82.56 42.11 0.00 0.00
183
+ ATOM 183 C PTH 1 96.31 82.56 43.11 0.00 0.00
184
+ ATOM 184 C PTH 1 96.31 83.56 39.11 0.00 0.00
185
+ ATOM 185 C PTH 1 96.31 83.56 40.11 0.00 0.00
186
+ ATOM 186 C PTH 1 96.31 83.56 41.11 0.00 0.00
187
+ ATOM 187 C PTH 1 96.31 83.56 42.11 0.00 0.00
188
+ ATOM 188 C PTH 1 96.31 83.56 43.11 0.00 0.00
189
+ ATOM 189 C PTH 1 96.31 83.56 44.11 0.00 0.00
190
+ ATOM 190 C PTH 1 96.31 83.56 45.11 0.00 0.00
191
+ ATOM 191 C PTH 1 96.31 84.56 39.11 0.00 0.00
192
+ ATOM 192 C PTH 1 96.31 84.56 40.11 0.00 0.00
193
+ ATOM 193 C PTH 1 96.31 84.56 41.11 0.00 0.00
194
+ ATOM 194 C PTH 1 96.31 84.56 42.11 0.00 0.00
195
+ ATOM 195 C PTH 1 96.31 84.56 43.11 0.00 0.00
196
+ ATOM 196 C PTH 1 96.31 84.56 44.11 0.00 0.00
197
+ ATOM 197 C PTH 1 96.31 84.56 45.11 0.00 0.00
198
+ ATOM 198 C PTH 1 96.31 85.56 40.11 0.00 0.00
199
+ ATOM 199 C PTH 1 96.31 85.56 41.11 0.00 0.00
200
+ ATOM 200 C PTH 1 96.31 85.56 42.11 0.00 0.00
201
+ ATOM 201 C PTH 1 96.31 85.56 43.11 0.00 0.00
202
+ ATOM 202 C PTH 1 96.31 85.56 44.11 0.00 0.00
203
+ ATOM 203 C PTH 1 96.31 85.56 45.11 0.00 0.00
204
+ ATOM 204 C PTH 1 96.31 85.56 46.11 0.00 0.00
205
+ ATOM 205 C PTH 1 96.31 86.56 41.11 0.00 0.00
206
+ ATOM 206 C PTH 1 96.31 86.56 42.11 0.00 0.00
207
+ ATOM 207 C PTH 1 96.31 86.56 43.11 0.00 0.00
208
+ ATOM 208 C PTH 1 96.31 86.56 44.11 0.00 0.00
209
+ ATOM 209 C PTH 1 96.31 86.56 45.11 0.00 0.00
210
+ ATOM 210 C PTH 1 96.31 86.56 46.11 0.00 0.00
211
+ ATOM 211 C PTH 1 96.31 87.56 41.11 0.00 0.00
212
+ ATOM 212 C PTH 1 96.31 87.56 42.11 0.00 0.00
213
+ ATOM 213 C PTH 1 96.31 87.56 43.11 0.00 0.00
214
+ ATOM 214 C PTH 1 96.31 87.56 44.11 0.00 0.00
215
+ ATOM 215 C PTH 1 96.31 87.56 45.11 0.00 0.00
216
+ ATOM 216 C PTH 1 96.31 87.56 46.11 0.00 0.00
217
+ ATOM 217 C PTH 1 96.31 88.56 42.11 0.00 0.00
218
+ ATOM 218 C PTH 1 96.31 88.56 43.11 0.00 0.00
219
+ ATOM 219 C PTH 1 96.31 88.56 44.11 0.00 0.00
220
+ ATOM 220 C PTH 1 96.31 88.56 45.11 0.00 0.00
221
+ ATOM 221 C PTH 1 96.31 88.56 46.11 0.00 0.00
222
+ ATOM 222 C PTH 1 96.31 89.56 43.11 0.00 0.00
223
+ ATOM 223 C PTH 1 96.31 89.56 44.11 0.00 0.00
224
+ ATOM 224 C PTH 1 96.31 89.56 45.11 0.00 0.00
225
+ ATOM 225 C PTH 1 96.31 89.56 46.11 0.00 0.00
226
+ ATOM 226 C PTH 1 96.31 90.56 43.11 0.00 0.00
227
+ ATOM 227 C PTH 1 96.31 90.56 44.11 0.00 0.00
228
+ ATOM 228 C PTH 1 96.31 90.56 45.11 0.00 0.00
229
+ ATOM 229 C PTH 1 96.31 90.56 46.11 0.00 0.00
230
+ ATOM 230 C PTH 1 96.31 91.56 43.11 0.00 0.00
231
+ ATOM 231 C PTH 1 96.31 91.56 44.11 0.00 0.00
232
+ ATOM 232 C PTH 1 96.31 91.56 45.11 0.00 0.00
233
+ ATOM 233 C PTH 1 96.31 91.56 46.11 0.00 0.00
234
+ ATOM 234 C PTH 1 97.31 82.56 40.11 0.00 0.00
235
+ ATOM 235 C PTH 1 97.31 82.56 41.11 0.00 0.00
236
+ ATOM 236 C PTH 1 97.31 82.56 42.11 0.00 0.00
237
+ ATOM 237 C PTH 1 97.31 82.56 43.11 0.00 0.00
238
+ ATOM 238 C PTH 1 97.31 82.56 44.11 0.00 0.00
239
+ ATOM 239 C PTH 1 97.31 83.56 40.11 0.00 0.00
240
+ ATOM 240 C PTH 1 97.31 83.56 41.11 0.00 0.00
241
+ ATOM 241 C PTH 1 97.31 83.56 42.11 0.00 0.00
242
+ ATOM 242 C PTH 1 97.31 83.56 43.11 0.00 0.00
243
+ ATOM 243 C PTH 1 97.31 83.56 44.11 0.00 0.00
244
+ ATOM 244 C PTH 1 97.31 83.56 45.11 0.00 0.00
245
+ ATOM 245 C PTH 1 97.31 84.56 40.11 0.00 0.00
246
+ ATOM 246 C PTH 1 97.31 84.56 41.11 0.00 0.00
247
+ ATOM 247 C PTH 1 97.31 84.56 42.11 0.00 0.00
248
+ ATOM 248 C PTH 1 97.31 84.56 43.11 0.00 0.00
249
+ ATOM 249 C PTH 1 97.31 84.56 44.11 0.00 0.00
250
+ ATOM 250 C PTH 1 97.31 84.56 45.11 0.00 0.00
251
+ ATOM 251 C PTH 1 97.31 85.56 40.11 0.00 0.00
252
+ ATOM 252 C PTH 1 97.31 85.56 41.11 0.00 0.00
253
+ ATOM 253 C PTH 1 97.31 85.56 42.11 0.00 0.00
254
+ ATOM 254 C PTH 1 97.31 85.56 43.11 0.00 0.00
255
+ ATOM 255 C PTH 1 97.31 85.56 44.11 0.00 0.00
256
+ ATOM 256 C PTH 1 97.31 85.56 45.11 0.00 0.00
257
+ ATOM 257 C PTH 1 97.31 85.56 46.11 0.00 0.00
258
+ ATOM 258 C PTH 1 97.31 86.56 41.11 0.00 0.00
259
+ ATOM 259 C PTH 1 97.31 86.56 42.11 0.00 0.00
260
+ ATOM 260 C PTH 1 97.31 86.56 43.11 0.00 0.00
261
+ ATOM 261 C PTH 1 97.31 86.56 44.11 0.00 0.00
262
+ ATOM 262 C PTH 1 97.31 86.56 45.11 0.00 0.00
263
+ ATOM 263 C PTH 1 97.31 86.56 46.11 0.00 0.00
264
+ ATOM 264 C PTH 1 97.31 87.56 42.11 0.00 0.00
265
+ ATOM 265 C PTH 1 97.31 87.56 43.11 0.00 0.00
266
+ ATOM 266 C PTH 1 97.31 87.56 44.11 0.00 0.00
267
+ ATOM 267 C PTH 1 97.31 87.56 45.11 0.00 0.00
268
+ ATOM 268 C PTH 1 97.31 87.56 46.11 0.00 0.00
269
+ ATOM 269 C PTH 1 97.31 88.56 42.11 0.00 0.00
270
+ ATOM 270 C PTH 1 97.31 88.56 43.11 0.00 0.00
271
+ ATOM 271 C PTH 1 97.31 88.56 44.11 0.00 0.00
272
+ ATOM 272 C PTH 1 97.31 88.56 45.11 0.00 0.00
273
+ ATOM 273 C PTH 1 97.31 88.56 46.11 0.00 0.00
274
+ ATOM 274 C PTH 1 97.31 89.56 43.11 0.00 0.00
275
+ ATOM 275 C PTH 1 97.31 89.56 44.11 0.00 0.00
276
+ ATOM 276 C PTH 1 97.31 89.56 45.11 0.00 0.00
277
+ ATOM 277 C PTH 1 97.31 89.56 46.11 0.00 0.00
278
+ ATOM 278 C PTH 1 97.31 90.56 44.11 0.00 0.00
279
+ ATOM 279 C PTH 1 97.31 90.56 45.11 0.00 0.00
280
+ ATOM 280 C PTH 1 97.31 90.56 46.11 0.00 0.00
281
+ ATOM 281 C PTH 1 98.31 82.56 40.11 0.00 0.00
282
+ ATOM 282 C PTH 1 98.31 82.56 41.11 0.00 0.00
283
+ ATOM 283 C PTH 1 98.31 82.56 42.11 0.00 0.00
284
+ ATOM 284 C PTH 1 98.31 82.56 43.11 0.00 0.00
285
+ ATOM 285 C PTH 1 98.31 82.56 44.11 0.00 0.00
286
+ ATOM 286 C PTH 1 98.31 83.56 40.11 0.00 0.00
287
+ ATOM 287 C PTH 1 98.31 83.56 41.11 0.00 0.00
288
+ ATOM 288 C PTH 1 98.31 83.56 42.11 0.00 0.00
289
+ ATOM 289 C PTH 1 98.31 83.56 43.11 0.00 0.00
290
+ ATOM 290 C PTH 1 98.31 83.56 44.11 0.00 0.00
291
+ ATOM 291 C PTH 1 98.31 83.56 45.11 0.00 0.00
292
+ ATOM 292 C PTH 1 98.31 84.56 40.11 0.00 0.00
293
+ ATOM 293 C PTH 1 98.31 84.56 41.11 0.00 0.00
294
+ ATOM 294 C PTH 1 98.31 84.56 42.11 0.00 0.00
295
+ ATOM 295 C PTH 1 98.31 84.56 43.11 0.00 0.00
296
+ ATOM 296 C PTH 1 98.31 84.56 44.11 0.00 0.00
297
+ ATOM 297 C PTH 1 98.31 84.56 45.11 0.00 0.00
298
+ ATOM 298 C PTH 1 98.31 85.56 40.11 0.00 0.00
299
+ ATOM 299 C PTH 1 98.31 85.56 41.11 0.00 0.00
300
+ ATOM 300 C PTH 1 98.31 85.56 42.11 0.00 0.00
301
+ ATOM 301 C PTH 1 98.31 85.56 43.11 0.00 0.00
302
+ ATOM 302 C PTH 1 98.31 85.56 44.11 0.00 0.00
303
+ ATOM 303 C PTH 1 98.31 85.56 45.11 0.00 0.00
304
+ ATOM 304 C PTH 1 98.31 85.56 46.11 0.00 0.00
305
+ ATOM 305 C PTH 1 98.31 86.56 41.11 0.00 0.00
306
+ ATOM 306 C PTH 1 98.31 86.56 42.11 0.00 0.00
307
+ ATOM 307 C PTH 1 98.31 86.56 43.11 0.00 0.00
308
+ ATOM 308 C PTH 1 98.31 86.56 44.11 0.00 0.00
309
+ ATOM 309 C PTH 1 98.31 86.56 45.11 0.00 0.00
310
+ ATOM 310 C PTH 1 98.31 86.56 46.11 0.00 0.00
311
+ ATOM 311 C PTH 1 98.31 87.56 42.11 0.00 0.00
312
+ ATOM 312 C PTH 1 98.31 87.56 43.11 0.00 0.00
313
+ ATOM 313 C PTH 1 98.31 87.56 44.11 0.00 0.00
314
+ ATOM 314 C PTH 1 98.31 88.56 42.11 0.00 0.00
315
+ ATOM 315 C PTH 1 98.31 88.56 43.11 0.00 0.00
316
+ ATOM 316 C PTH 1 98.31 88.56 44.11 0.00 0.00
317
+ ATOM 317 C PTH 1 99.31 82.56 41.11 0.00 0.00
318
+ ATOM 318 C PTH 1 99.31 82.56 42.11 0.00 0.00
319
+ ATOM 319 C PTH 1 99.31 82.56 43.11 0.00 0.00
320
+ ATOM 320 C PTH 1 99.31 82.56 44.11 0.00 0.00
321
+ ATOM 321 C PTH 1 99.31 83.56 40.11 0.00 0.00
322
+ ATOM 322 C PTH 1 99.31 83.56 41.11 0.00 0.00
323
+ ATOM 323 C PTH 1 99.31 83.56 42.11 0.00 0.00
324
+ ATOM 324 C PTH 1 99.31 83.56 43.11 0.00 0.00
325
+ ATOM 325 C PTH 1 99.31 83.56 44.11 0.00 0.00
326
+ ATOM 326 C PTH 1 99.31 83.56 45.11 0.00 0.00
327
+ ATOM 327 C PTH 1 99.31 84.56 40.11 0.00 0.00
328
+ ATOM 328 C PTH 1 99.31 84.56 41.11 0.00 0.00
329
+ ATOM 329 C PTH 1 99.31 84.56 42.11 0.00 0.00
330
+ ATOM 330 C PTH 1 99.31 84.56 43.11 0.00 0.00
331
+ ATOM 331 C PTH 1 99.31 84.56 44.11 0.00 0.00
332
+ ATOM 332 C PTH 1 99.31 84.56 45.11 0.00 0.00
333
+ ATOM 333 C PTH 1 99.31 85.56 40.11 0.00 0.00
334
+ ATOM 334 C PTH 1 99.31 85.56 41.11 0.00 0.00
335
+ ATOM 335 C PTH 1 99.31 85.56 42.11 0.00 0.00
336
+ ATOM 336 C PTH 1 99.31 85.56 43.11 0.00 0.00
337
+ ATOM 337 C PTH 1 99.31 85.56 44.11 0.00 0.00
338
+ ATOM 338 C PTH 1 99.31 85.56 45.11 0.00 0.00
339
+ ATOM 339 C PTH 1 99.31 85.56 46.11 0.00 0.00
340
+ ATOM 340 C PTH 1 99.31 86.56 41.11 0.00 0.00
341
+ ATOM 341 C PTH 1 99.31 86.56 42.11 0.00 0.00
342
+ ATOM 342 C PTH 1 99.31 86.56 43.11 0.00 0.00
343
+ ATOM 343 C PTH 1 99.31 86.56 44.11 0.00 0.00
344
+ ATOM 344 C PTH 1 99.31 86.56 45.11 0.00 0.00
345
+ ATOM 345 C PTH 1 99.31 86.56 46.11 0.00 0.00
346
+ ATOM 346 C PTH 1 99.31 87.56 42.11 0.00 0.00
347
+ ATOM 347 C PTH 1 99.31 87.56 43.11 0.00 0.00
348
+ ATOM 348 C PTH 1 99.31 87.56 44.11 0.00 0.00
349
+ ATOM 349 C PTH 1 99.31 88.56 44.11 0.00 0.00
350
+ ATOM 350 C PTH 1 100.31 82.56 41.11 0.00 0.00
351
+ ATOM 351 C PTH 1 100.31 82.56 42.11 0.00 0.00
352
+ ATOM 352 C PTH 1 100.31 82.56 43.11 0.00 0.00
353
+ ATOM 353 C PTH 1 100.31 82.56 44.11 0.00 0.00
354
+ ATOM 354 C PTH 1 100.31 83.56 41.11 0.00 0.00
355
+ ATOM 355 C PTH 1 100.31 83.56 42.11 0.00 0.00
356
+ ATOM 356 C PTH 1 100.31 83.56 43.11 0.00 0.00
357
+ ATOM 357 C PTH 1 100.31 83.56 44.11 0.00 0.00
358
+ ATOM 358 C PTH 1 100.31 84.56 41.11 0.00 0.00
359
+ ATOM 359 C PTH 1 100.31 84.56 42.11 0.00 0.00
360
+ ATOM 360 C PTH 1 100.31 84.56 43.11 0.00 0.00
361
+ ATOM 361 C PTH 1 100.31 84.56 44.11 0.00 0.00
362
+ ATOM 362 C PTH 1 100.31 84.56 45.11 0.00 0.00
363
+ ATOM 363 C PTH 1 100.31 85.56 41.11 0.00 0.00
364
+ ATOM 364 C PTH 1 100.31 85.56 42.11 0.00 0.00
365
+ ATOM 365 C PTH 1 100.31 85.56 43.11 0.00 0.00
366
+ ATOM 366 C PTH 1 100.31 85.56 44.11 0.00 0.00
367
+ ATOM 367 C PTH 1 100.31 85.56 45.11 0.00 0.00
368
+ ATOM 368 C PTH 1 100.31 86.56 42.11 0.00 0.00
369
+ ATOM 369 C PTH 1 100.31 86.56 43.11 0.00 0.00
370
+ ATOM 370 C PTH 1 100.31 86.56 44.11 0.00 0.00
371
+ ATOM 371 C PTH 1 100.31 86.56 45.11 0.00 0.00
372
+ ATOM 372 C PTH 1 100.31 86.56 46.11 0.00 0.00
373
+ ATOM 373 C PTH 1 101.31 82.56 42.11 0.00 0.00
374
+ ATOM 374 C PTH 1 101.31 82.56 43.11 0.00 0.00
375
+ ATOM 375 C PTH 1 101.31 82.56 44.11 0.00 0.00
376
+ ATOM 376 C PTH 1 101.31 83.56 42.11 0.00 0.00
377
+ ATOM 377 C PTH 1 101.31 83.56 43.11 0.00 0.00
378
+ ATOM 378 C PTH 1 101.31 83.56 44.11 0.00 0.00
379
+ ATOM 379 C PTH 1 101.31 84.56 42.11 0.00 0.00
380
+ ATOM 380 C PTH 1 101.31 84.56 43.11 0.00 0.00
381
+ ATOM 381 C PTH 1 101.31 84.56 44.11 0.00 0.00
382
+ ATOM 382 C PTH 1 101.31 85.56 43.11 0.00 0.00
383
+ ATOM 383 C PTH 1 101.31 85.56 44.11 0.00 0.00
384
+ ATOM 384 C PTH 1 101.31 86.56 45.11 0.00 0.00
385
+ ATOM 385 C PTH 1 102.31 82.56 42.11 0.00 0.00
386
+ ATOM 386 C PTH 1 102.31 82.56 43.11 0.00 0.00
387
+ ATOM 387 C PTH 1 102.31 82.56 44.11 0.00 0.00
388
+ ATOM 388 C PTH 1 102.31 83.56 42.11 0.00 0.00
389
+ ATOM 389 C PTH 1 102.31 83.56 43.11 0.00 0.00
390
+ ATOM 390 C PTH 1 102.31 83.56 44.11 0.00 0.00
391
+ ATOM 391 C PTH 1 102.31 84.56 42.11 0.00 0.00
392
+ ATOM 392 C PTH 1 102.31 84.56 43.11 0.00 0.00
data/files/A000F/pocket_02.pdb ADDED
@@ -0,0 +1,337 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 66.31 94.56 33.11 0.00 0.00
2
+ ATOM 2 C PTH 1 66.31 94.56 34.11 0.00 0.00
3
+ ATOM 3 C PTH 1 66.31 94.56 35.11 0.00 0.00
4
+ ATOM 4 C PTH 1 66.31 95.56 33.11 0.00 0.00
5
+ ATOM 5 C PTH 1 66.31 95.56 34.11 0.00 0.00
6
+ ATOM 6 C PTH 1 66.31 95.56 35.11 0.00 0.00
7
+ ATOM 7 C PTH 1 67.31 93.56 32.11 0.00 0.00
8
+ ATOM 8 C PTH 1 67.31 93.56 33.11 0.00 0.00
9
+ ATOM 9 C PTH 1 67.31 93.56 34.11 0.00 0.00
10
+ ATOM 10 C PTH 1 67.31 93.56 35.11 0.00 0.00
11
+ ATOM 11 C PTH 1 67.31 94.56 32.11 0.00 0.00
12
+ ATOM 12 C PTH 1 67.31 94.56 33.11 0.00 0.00
13
+ ATOM 13 C PTH 1 67.31 94.56 34.11 0.00 0.00
14
+ ATOM 14 C PTH 1 67.31 94.56 35.11 0.00 0.00
15
+ ATOM 15 C PTH 1 67.31 94.56 36.11 0.00 0.00
16
+ ATOM 16 C PTH 1 67.31 95.56 32.11 0.00 0.00
17
+ ATOM 17 C PTH 1 67.31 95.56 33.11 0.00 0.00
18
+ ATOM 18 C PTH 1 67.31 95.56 34.11 0.00 0.00
19
+ ATOM 19 C PTH 1 67.31 95.56 35.11 0.00 0.00
20
+ ATOM 20 C PTH 1 67.31 95.56 36.11 0.00 0.00
21
+ ATOM 21 C PTH 1 67.31 95.56 37.11 0.00 0.00
22
+ ATOM 22 C PTH 1 67.31 96.56 33.11 0.00 0.00
23
+ ATOM 23 C PTH 1 67.31 96.56 34.11 0.00 0.00
24
+ ATOM 24 C PTH 1 67.31 96.56 35.11 0.00 0.00
25
+ ATOM 25 C PTH 1 67.31 96.56 36.11 0.00 0.00
26
+ ATOM 26 C PTH 1 67.31 96.56 37.11 0.00 0.00
27
+ ATOM 27 C PTH 1 67.31 96.56 38.11 0.00 0.00
28
+ ATOM 28 C PTH 1 67.31 97.56 33.11 0.00 0.00
29
+ ATOM 29 C PTH 1 67.31 97.56 34.11 0.00 0.00
30
+ ATOM 30 C PTH 1 67.31 97.56 35.11 0.00 0.00
31
+ ATOM 31 C PTH 1 67.31 97.56 36.11 0.00 0.00
32
+ ATOM 32 C PTH 1 67.31 97.56 37.11 0.00 0.00
33
+ ATOM 33 C PTH 1 67.31 97.56 38.11 0.00 0.00
34
+ ATOM 34 C PTH 1 68.31 92.56 32.11 0.00 0.00
35
+ ATOM 35 C PTH 1 68.31 92.56 33.11 0.00 0.00
36
+ ATOM 36 C PTH 1 68.31 92.56 34.11 0.00 0.00
37
+ ATOM 37 C PTH 1 68.31 93.56 32.11 0.00 0.00
38
+ ATOM 38 C PTH 1 68.31 93.56 33.11 0.00 0.00
39
+ ATOM 39 C PTH 1 68.31 93.56 34.11 0.00 0.00
40
+ ATOM 40 C PTH 1 68.31 93.56 35.11 0.00 0.00
41
+ ATOM 41 C PTH 1 68.31 94.56 32.11 0.00 0.00
42
+ ATOM 42 C PTH 1 68.31 94.56 33.11 0.00 0.00
43
+ ATOM 43 C PTH 1 68.31 94.56 34.11 0.00 0.00
44
+ ATOM 44 C PTH 1 68.31 94.56 35.11 0.00 0.00
45
+ ATOM 45 C PTH 1 68.31 94.56 36.11 0.00 0.00
46
+ ATOM 46 C PTH 1 68.31 94.56 37.11 0.00 0.00
47
+ ATOM 47 C PTH 1 68.31 95.56 32.11 0.00 0.00
48
+ ATOM 48 C PTH 1 68.31 95.56 33.11 0.00 0.00
49
+ ATOM 49 C PTH 1 68.31 95.56 34.11 0.00 0.00
50
+ ATOM 50 C PTH 1 68.31 95.56 35.11 0.00 0.00
51
+ ATOM 51 C PTH 1 68.31 95.56 36.11 0.00 0.00
52
+ ATOM 52 C PTH 1 68.31 95.56 37.11 0.00 0.00
53
+ ATOM 53 C PTH 1 68.31 95.56 38.11 0.00 0.00
54
+ ATOM 54 C PTH 1 68.31 96.56 32.11 0.00 0.00
55
+ ATOM 55 C PTH 1 68.31 96.56 33.11 0.00 0.00
56
+ ATOM 56 C PTH 1 68.31 96.56 34.11 0.00 0.00
57
+ ATOM 57 C PTH 1 68.31 96.56 35.11 0.00 0.00
58
+ ATOM 58 C PTH 1 68.31 96.56 36.11 0.00 0.00
59
+ ATOM 59 C PTH 1 68.31 96.56 37.11 0.00 0.00
60
+ ATOM 60 C PTH 1 68.31 96.56 38.11 0.00 0.00
61
+ ATOM 61 C PTH 1 68.31 97.56 33.11 0.00 0.00
62
+ ATOM 62 C PTH 1 68.31 97.56 34.11 0.00 0.00
63
+ ATOM 63 C PTH 1 68.31 97.56 35.11 0.00 0.00
64
+ ATOM 64 C PTH 1 68.31 97.56 36.11 0.00 0.00
65
+ ATOM 65 C PTH 1 68.31 97.56 37.11 0.00 0.00
66
+ ATOM 66 C PTH 1 68.31 97.56 38.11 0.00 0.00
67
+ ATOM 67 C PTH 1 68.31 98.56 35.11 0.00 0.00
68
+ ATOM 68 C PTH 1 68.31 98.56 36.11 0.00 0.00
69
+ ATOM 69 C PTH 1 68.31 98.56 37.11 0.00 0.00
70
+ ATOM 70 C PTH 1 69.31 92.56 32.11 0.00 0.00
71
+ ATOM 71 C PTH 1 69.31 92.56 33.11 0.00 0.00
72
+ ATOM 72 C PTH 1 69.31 92.56 34.11 0.00 0.00
73
+ ATOM 73 C PTH 1 69.31 93.56 32.11 0.00 0.00
74
+ ATOM 74 C PTH 1 69.31 93.56 33.11 0.00 0.00
75
+ ATOM 75 C PTH 1 69.31 93.56 34.11 0.00 0.00
76
+ ATOM 76 C PTH 1 69.31 93.56 35.11 0.00 0.00
77
+ ATOM 77 C PTH 1 69.31 93.56 36.11 0.00 0.00
78
+ ATOM 78 C PTH 1 69.31 94.56 32.11 0.00 0.00
79
+ ATOM 79 C PTH 1 69.31 94.56 33.11 0.00 0.00
80
+ ATOM 80 C PTH 1 69.31 94.56 34.11 0.00 0.00
81
+ ATOM 81 C PTH 1 69.31 94.56 35.11 0.00 0.00
82
+ ATOM 82 C PTH 1 69.31 94.56 36.11 0.00 0.00
83
+ ATOM 83 C PTH 1 69.31 94.56 37.11 0.00 0.00
84
+ ATOM 84 C PTH 1 69.31 95.56 32.11 0.00 0.00
85
+ ATOM 85 C PTH 1 69.31 95.56 33.11 0.00 0.00
86
+ ATOM 86 C PTH 1 69.31 95.56 34.11 0.00 0.00
87
+ ATOM 87 C PTH 1 69.31 95.56 35.11 0.00 0.00
88
+ ATOM 88 C PTH 1 69.31 95.56 36.11 0.00 0.00
89
+ ATOM 89 C PTH 1 69.31 95.56 37.11 0.00 0.00
90
+ ATOM 90 C PTH 1 69.31 96.56 33.11 0.00 0.00
91
+ ATOM 91 C PTH 1 69.31 96.56 34.11 0.00 0.00
92
+ ATOM 92 C PTH 1 69.31 96.56 35.11 0.00 0.00
93
+ ATOM 93 C PTH 1 69.31 96.56 36.11 0.00 0.00
94
+ ATOM 94 C PTH 1 69.31 96.56 37.11 0.00 0.00
95
+ ATOM 95 C PTH 1 69.31 96.56 38.11 0.00 0.00
96
+ ATOM 96 C PTH 1 69.31 97.56 33.11 0.00 0.00
97
+ ATOM 97 C PTH 1 69.31 97.56 34.11 0.00 0.00
98
+ ATOM 98 C PTH 1 69.31 97.56 35.11 0.00 0.00
99
+ ATOM 99 C PTH 1 69.31 97.56 36.11 0.00 0.00
100
+ ATOM 100 C PTH 1 69.31 97.56 37.11 0.00 0.00
101
+ ATOM 101 C PTH 1 69.31 97.56 38.11 0.00 0.00
102
+ ATOM 102 C PTH 1 69.31 98.56 35.11 0.00 0.00
103
+ ATOM 103 C PTH 1 69.31 98.56 36.11 0.00 0.00
104
+ ATOM 104 C PTH 1 69.31 98.56 37.11 0.00 0.00
105
+ ATOM 105 C PTH 1 70.31 89.56 31.11 0.00 0.00
106
+ ATOM 106 C PTH 1 70.31 89.56 32.11 0.00 0.00
107
+ ATOM 107 C PTH 1 70.31 89.56 33.11 0.00 0.00
108
+ ATOM 108 C PTH 1 70.31 90.56 31.11 0.00 0.00
109
+ ATOM 109 C PTH 1 70.31 90.56 32.11 0.00 0.00
110
+ ATOM 110 C PTH 1 70.31 90.56 33.11 0.00 0.00
111
+ ATOM 111 C PTH 1 70.31 91.56 31.11 0.00 0.00
112
+ ATOM 112 C PTH 1 70.31 91.56 32.11 0.00 0.00
113
+ ATOM 113 C PTH 1 70.31 91.56 33.11 0.00 0.00
114
+ ATOM 114 C PTH 1 70.31 91.56 34.11 0.00 0.00
115
+ ATOM 115 C PTH 1 70.31 92.56 32.11 0.00 0.00
116
+ ATOM 116 C PTH 1 70.31 92.56 33.11 0.00 0.00
117
+ ATOM 117 C PTH 1 70.31 92.56 34.11 0.00 0.00
118
+ ATOM 118 C PTH 1 70.31 93.56 33.11 0.00 0.00
119
+ ATOM 119 C PTH 1 70.31 93.56 34.11 0.00 0.00
120
+ ATOM 120 C PTH 1 70.31 93.56 35.11 0.00 0.00
121
+ ATOM 121 C PTH 1 70.31 93.56 36.11 0.00 0.00
122
+ ATOM 122 C PTH 1 70.31 94.56 33.11 0.00 0.00
123
+ ATOM 123 C PTH 1 70.31 94.56 34.11 0.00 0.00
124
+ ATOM 124 C PTH 1 70.31 94.56 35.11 0.00 0.00
125
+ ATOM 125 C PTH 1 70.31 94.56 36.11 0.00 0.00
126
+ ATOM 126 C PTH 1 70.31 94.56 37.11 0.00 0.00
127
+ ATOM 127 C PTH 1 70.31 95.56 33.11 0.00 0.00
128
+ ATOM 128 C PTH 1 70.31 95.56 34.11 0.00 0.00
129
+ ATOM 129 C PTH 1 70.31 95.56 35.11 0.00 0.00
130
+ ATOM 130 C PTH 1 70.31 95.56 36.11 0.00 0.00
131
+ ATOM 131 C PTH 1 70.31 95.56 37.11 0.00 0.00
132
+ ATOM 132 C PTH 1 70.31 96.56 33.11 0.00 0.00
133
+ ATOM 133 C PTH 1 70.31 96.56 34.11 0.00 0.00
134
+ ATOM 134 C PTH 1 70.31 96.56 35.11 0.00 0.00
135
+ ATOM 135 C PTH 1 70.31 96.56 36.11 0.00 0.00
136
+ ATOM 136 C PTH 1 70.31 96.56 37.11 0.00 0.00
137
+ ATOM 137 C PTH 1 70.31 96.56 38.11 0.00 0.00
138
+ ATOM 138 C PTH 1 70.31 97.56 34.11 0.00 0.00
139
+ ATOM 139 C PTH 1 70.31 97.56 35.11 0.00 0.00
140
+ ATOM 140 C PTH 1 70.31 97.56 36.11 0.00 0.00
141
+ ATOM 141 C PTH 1 70.31 97.56 37.11 0.00 0.00
142
+ ATOM 142 C PTH 1 70.31 97.56 38.11 0.00 0.00
143
+ ATOM 143 C PTH 1 71.31 89.56 30.11 0.00 0.00
144
+ ATOM 144 C PTH 1 71.31 89.56 31.11 0.00 0.00
145
+ ATOM 145 C PTH 1 71.31 89.56 32.11 0.00 0.00
146
+ ATOM 146 C PTH 1 71.31 89.56 33.11 0.00 0.00
147
+ ATOM 147 C PTH 1 71.31 89.56 34.11 0.00 0.00
148
+ ATOM 148 C PTH 1 71.31 90.56 30.11 0.00 0.00
149
+ ATOM 149 C PTH 1 71.31 90.56 31.11 0.00 0.00
150
+ ATOM 150 C PTH 1 71.31 90.56 32.11 0.00 0.00
151
+ ATOM 151 C PTH 1 71.31 90.56 33.11 0.00 0.00
152
+ ATOM 152 C PTH 1 71.31 90.56 34.11 0.00 0.00
153
+ ATOM 153 C PTH 1 71.31 91.56 30.11 0.00 0.00
154
+ ATOM 154 C PTH 1 71.31 91.56 31.11 0.00 0.00
155
+ ATOM 155 C PTH 1 71.31 91.56 32.11 0.00 0.00
156
+ ATOM 156 C PTH 1 71.31 91.56 33.11 0.00 0.00
157
+ ATOM 157 C PTH 1 71.31 91.56 34.11 0.00 0.00
158
+ ATOM 158 C PTH 1 71.31 92.56 31.11 0.00 0.00
159
+ ATOM 159 C PTH 1 71.31 92.56 32.11 0.00 0.00
160
+ ATOM 160 C PTH 1 71.31 92.56 33.11 0.00 0.00
161
+ ATOM 161 C PTH 1 71.31 92.56 34.11 0.00 0.00
162
+ ATOM 162 C PTH 1 71.31 92.56 35.11 0.00 0.00
163
+ ATOM 163 C PTH 1 71.31 93.56 33.11 0.00 0.00
164
+ ATOM 164 C PTH 1 71.31 93.56 34.11 0.00 0.00
165
+ ATOM 165 C PTH 1 71.31 93.56 35.11 0.00 0.00
166
+ ATOM 166 C PTH 1 71.31 93.56 36.11 0.00 0.00
167
+ ATOM 167 C PTH 1 71.31 93.56 37.11 0.00 0.00
168
+ ATOM 168 C PTH 1 71.31 94.56 33.11 0.00 0.00
169
+ ATOM 169 C PTH 1 71.31 94.56 34.11 0.00 0.00
170
+ ATOM 170 C PTH 1 71.31 94.56 35.11 0.00 0.00
171
+ ATOM 171 C PTH 1 71.31 94.56 36.11 0.00 0.00
172
+ ATOM 172 C PTH 1 71.31 94.56 37.11 0.00 0.00
173
+ ATOM 173 C PTH 1 71.31 95.56 33.11 0.00 0.00
174
+ ATOM 174 C PTH 1 71.31 95.56 34.11 0.00 0.00
175
+ ATOM 175 C PTH 1 71.31 95.56 35.11 0.00 0.00
176
+ ATOM 176 C PTH 1 71.31 95.56 36.11 0.00 0.00
177
+ ATOM 177 C PTH 1 71.31 95.56 37.11 0.00 0.00
178
+ ATOM 178 C PTH 1 71.31 95.56 38.11 0.00 0.00
179
+ ATOM 179 C PTH 1 71.31 96.56 33.11 0.00 0.00
180
+ ATOM 180 C PTH 1 71.31 96.56 34.11 0.00 0.00
181
+ ATOM 181 C PTH 1 71.31 96.56 35.11 0.00 0.00
182
+ ATOM 182 C PTH 1 71.31 96.56 36.11 0.00 0.00
183
+ ATOM 183 C PTH 1 71.31 96.56 37.11 0.00 0.00
184
+ ATOM 184 C PTH 1 71.31 96.56 38.11 0.00 0.00
185
+ ATOM 185 C PTH 1 71.31 97.56 35.11 0.00 0.00
186
+ ATOM 186 C PTH 1 71.31 97.56 36.11 0.00 0.00
187
+ ATOM 187 C PTH 1 71.31 97.56 37.11 0.00 0.00
188
+ ATOM 188 C PTH 1 71.31 97.56 38.11 0.00 0.00
189
+ ATOM 189 C PTH 1 72.31 89.56 30.11 0.00 0.00
190
+ ATOM 190 C PTH 1 72.31 89.56 31.11 0.00 0.00
191
+ ATOM 191 C PTH 1 72.31 89.56 32.11 0.00 0.00
192
+ ATOM 192 C PTH 1 72.31 89.56 33.11 0.00 0.00
193
+ ATOM 193 C PTH 1 72.31 89.56 34.11 0.00 0.00
194
+ ATOM 194 C PTH 1 72.31 90.56 30.11 0.00 0.00
195
+ ATOM 195 C PTH 1 72.31 90.56 31.11 0.00 0.00
196
+ ATOM 196 C PTH 1 72.31 90.56 32.11 0.00 0.00
197
+ ATOM 197 C PTH 1 72.31 90.56 33.11 0.00 0.00
198
+ ATOM 198 C PTH 1 72.31 90.56 34.11 0.00 0.00
199
+ ATOM 199 C PTH 1 72.31 90.56 35.11 0.00 0.00
200
+ ATOM 200 C PTH 1 72.31 91.56 31.11 0.00 0.00
201
+ ATOM 201 C PTH 1 72.31 91.56 32.11 0.00 0.00
202
+ ATOM 202 C PTH 1 72.31 91.56 33.11 0.00 0.00
203
+ ATOM 203 C PTH 1 72.31 91.56 34.11 0.00 0.00
204
+ ATOM 204 C PTH 1 72.31 91.56 35.11 0.00 0.00
205
+ ATOM 205 C PTH 1 72.31 92.56 32.11 0.00 0.00
206
+ ATOM 206 C PTH 1 72.31 92.56 33.11 0.00 0.00
207
+ ATOM 207 C PTH 1 72.31 92.56 34.11 0.00 0.00
208
+ ATOM 208 C PTH 1 72.31 92.56 35.11 0.00 0.00
209
+ ATOM 209 C PTH 1 72.31 92.56 36.11 0.00 0.00
210
+ ATOM 210 C PTH 1 72.31 93.56 32.11 0.00 0.00
211
+ ATOM 211 C PTH 1 72.31 93.56 33.11 0.00 0.00
212
+ ATOM 212 C PTH 1 72.31 93.56 34.11 0.00 0.00
213
+ ATOM 213 C PTH 1 72.31 93.56 35.11 0.00 0.00
214
+ ATOM 214 C PTH 1 72.31 93.56 36.11 0.00 0.00
215
+ ATOM 215 C PTH 1 72.31 93.56 37.11 0.00 0.00
216
+ ATOM 216 C PTH 1 72.31 94.56 33.11 0.00 0.00
217
+ ATOM 217 C PTH 1 72.31 94.56 34.11 0.00 0.00
218
+ ATOM 218 C PTH 1 72.31 94.56 35.11 0.00 0.00
219
+ ATOM 219 C PTH 1 72.31 94.56 36.11 0.00 0.00
220
+ ATOM 220 C PTH 1 72.31 94.56 37.11 0.00 0.00
221
+ ATOM 221 C PTH 1 72.31 95.56 33.11 0.00 0.00
222
+ ATOM 222 C PTH 1 72.31 95.56 34.11 0.00 0.00
223
+ ATOM 223 C PTH 1 72.31 95.56 35.11 0.00 0.00
224
+ ATOM 224 C PTH 1 72.31 95.56 36.11 0.00 0.00
225
+ ATOM 225 C PTH 1 72.31 95.56 37.11 0.00 0.00
226
+ ATOM 226 C PTH 1 72.31 95.56 38.11 0.00 0.00
227
+ ATOM 227 C PTH 1 72.31 96.56 34.11 0.00 0.00
228
+ ATOM 228 C PTH 1 72.31 96.56 35.11 0.00 0.00
229
+ ATOM 229 C PTH 1 72.31 96.56 36.11 0.00 0.00
230
+ ATOM 230 C PTH 1 72.31 96.56 37.11 0.00 0.00
231
+ ATOM 231 C PTH 1 72.31 96.56 38.11 0.00 0.00
232
+ ATOM 232 C PTH 1 72.31 97.56 36.11 0.00 0.00
233
+ ATOM 233 C PTH 1 72.31 97.56 37.11 0.00 0.00
234
+ ATOM 234 C PTH 1 73.31 89.56 31.11 0.00 0.00
235
+ ATOM 235 C PTH 1 73.31 89.56 32.11 0.00 0.00
236
+ ATOM 236 C PTH 1 73.31 89.56 33.11 0.00 0.00
237
+ ATOM 237 C PTH 1 73.31 89.56 34.11 0.00 0.00
238
+ ATOM 238 C PTH 1 73.31 90.56 31.11 0.00 0.00
239
+ ATOM 239 C PTH 1 73.31 90.56 32.11 0.00 0.00
240
+ ATOM 240 C PTH 1 73.31 90.56 33.11 0.00 0.00
241
+ ATOM 241 C PTH 1 73.31 90.56 34.11 0.00 0.00
242
+ ATOM 242 C PTH 1 73.31 90.56 35.11 0.00 0.00
243
+ ATOM 243 C PTH 1 73.31 91.56 31.11 0.00 0.00
244
+ ATOM 244 C PTH 1 73.31 91.56 32.11 0.00 0.00
245
+ ATOM 245 C PTH 1 73.31 91.56 33.11 0.00 0.00
246
+ ATOM 246 C PTH 1 73.31 91.56 34.11 0.00 0.00
247
+ ATOM 247 C PTH 1 73.31 91.56 35.11 0.00 0.00
248
+ ATOM 248 C PTH 1 73.31 92.56 32.11 0.00 0.00
249
+ ATOM 249 C PTH 1 73.31 92.56 33.11 0.00 0.00
250
+ ATOM 250 C PTH 1 73.31 92.56 34.11 0.00 0.00
251
+ ATOM 251 C PTH 1 73.31 92.56 35.11 0.00 0.00
252
+ ATOM 252 C PTH 1 73.31 92.56 36.11 0.00 0.00
253
+ ATOM 253 C PTH 1 73.31 93.56 32.11 0.00 0.00
254
+ ATOM 254 C PTH 1 73.31 93.56 33.11 0.00 0.00
255
+ ATOM 255 C PTH 1 73.31 93.56 34.11 0.00 0.00
256
+ ATOM 256 C PTH 1 73.31 93.56 35.11 0.00 0.00
257
+ ATOM 257 C PTH 1 73.31 93.56 36.11 0.00 0.00
258
+ ATOM 258 C PTH 1 73.31 93.56 37.11 0.00 0.00
259
+ ATOM 259 C PTH 1 73.31 94.56 33.11 0.00 0.00
260
+ ATOM 260 C PTH 1 73.31 94.56 34.11 0.00 0.00
261
+ ATOM 261 C PTH 1 73.31 94.56 35.11 0.00 0.00
262
+ ATOM 262 C PTH 1 73.31 94.56 36.11 0.00 0.00
263
+ ATOM 263 C PTH 1 73.31 94.56 37.11 0.00 0.00
264
+ ATOM 264 C PTH 1 73.31 95.56 33.11 0.00 0.00
265
+ ATOM 265 C PTH 1 73.31 95.56 34.11 0.00 0.00
266
+ ATOM 266 C PTH 1 73.31 95.56 35.11 0.00 0.00
267
+ ATOM 267 C PTH 1 73.31 95.56 36.11 0.00 0.00
268
+ ATOM 268 C PTH 1 73.31 95.56 37.11 0.00 0.00
269
+ ATOM 269 C PTH 1 73.31 95.56 38.11 0.00 0.00
270
+ ATOM 270 C PTH 1 73.31 96.56 33.11 0.00 0.00
271
+ ATOM 271 C PTH 1 73.31 96.56 34.11 0.00 0.00
272
+ ATOM 272 C PTH 1 73.31 96.56 35.11 0.00 0.00
273
+ ATOM 273 C PTH 1 73.31 96.56 36.11 0.00 0.00
274
+ ATOM 274 C PTH 1 73.31 96.56 37.11 0.00 0.00
275
+ ATOM 275 C PTH 1 73.31 96.56 38.11 0.00 0.00
276
+ ATOM 276 C PTH 1 74.31 90.56 33.11 0.00 0.00
277
+ ATOM 277 C PTH 1 74.31 90.56 34.11 0.00 0.00
278
+ ATOM 278 C PTH 1 74.31 90.56 35.11 0.00 0.00
279
+ ATOM 279 C PTH 1 74.31 91.56 33.11 0.00 0.00
280
+ ATOM 280 C PTH 1 74.31 91.56 34.11 0.00 0.00
281
+ ATOM 281 C PTH 1 74.31 91.56 35.11 0.00 0.00
282
+ ATOM 282 C PTH 1 74.31 92.56 33.11 0.00 0.00
283
+ ATOM 283 C PTH 1 74.31 92.56 34.11 0.00 0.00
284
+ ATOM 284 C PTH 1 74.31 92.56 35.11 0.00 0.00
285
+ ATOM 285 C PTH 1 74.31 92.56 36.11 0.00 0.00
286
+ ATOM 286 C PTH 1 74.31 93.56 32.11 0.00 0.00
287
+ ATOM 287 C PTH 1 74.31 93.56 33.11 0.00 0.00
288
+ ATOM 288 C PTH 1 74.31 93.56 34.11 0.00 0.00
289
+ ATOM 289 C PTH 1 74.31 93.56 35.11 0.00 0.00
290
+ ATOM 290 C PTH 1 74.31 93.56 36.11 0.00 0.00
291
+ ATOM 291 C PTH 1 74.31 93.56 37.11 0.00 0.00
292
+ ATOM 292 C PTH 1 74.31 94.56 32.11 0.00 0.00
293
+ ATOM 293 C PTH 1 74.31 94.56 33.11 0.00 0.00
294
+ ATOM 294 C PTH 1 74.31 94.56 34.11 0.00 0.00
295
+ ATOM 295 C PTH 1 74.31 94.56 35.11 0.00 0.00
296
+ ATOM 296 C PTH 1 74.31 94.56 36.11 0.00 0.00
297
+ ATOM 297 C PTH 1 74.31 94.56 37.11 0.00 0.00
298
+ ATOM 298 C PTH 1 74.31 95.56 33.11 0.00 0.00
299
+ ATOM 299 C PTH 1 74.31 95.56 34.11 0.00 0.00
300
+ ATOM 300 C PTH 1 74.31 95.56 35.11 0.00 0.00
301
+ ATOM 301 C PTH 1 74.31 95.56 36.11 0.00 0.00
302
+ ATOM 302 C PTH 1 74.31 95.56 37.11 0.00 0.00
303
+ ATOM 303 C PTH 1 74.31 95.56 38.11 0.00 0.00
304
+ ATOM 304 C PTH 1 74.31 96.56 33.11 0.00 0.00
305
+ ATOM 305 C PTH 1 74.31 96.56 34.11 0.00 0.00
306
+ ATOM 306 C PTH 1 74.31 96.56 35.11 0.00 0.00
307
+ ATOM 307 C PTH 1 74.31 96.56 36.11 0.00 0.00
308
+ ATOM 308 C PTH 1 74.31 96.56 37.11 0.00 0.00
309
+ ATOM 309 C PTH 1 75.31 91.56 34.11 0.00 0.00
310
+ ATOM 310 C PTH 1 75.31 91.56 35.11 0.00 0.00
311
+ ATOM 311 C PTH 1 75.31 92.56 33.11 0.00 0.00
312
+ ATOM 312 C PTH 1 75.31 92.56 34.11 0.00 0.00
313
+ ATOM 313 C PTH 1 75.31 92.56 35.11 0.00 0.00
314
+ ATOM 314 C PTH 1 75.31 92.56 36.11 0.00 0.00
315
+ ATOM 315 C PTH 1 75.31 93.56 33.11 0.00 0.00
316
+ ATOM 316 C PTH 1 75.31 93.56 34.11 0.00 0.00
317
+ ATOM 317 C PTH 1 75.31 93.56 35.11 0.00 0.00
318
+ ATOM 318 C PTH 1 75.31 93.56 36.11 0.00 0.00
319
+ ATOM 319 C PTH 1 75.31 94.56 33.11 0.00 0.00
320
+ ATOM 320 C PTH 1 75.31 94.56 34.11 0.00 0.00
321
+ ATOM 321 C PTH 1 75.31 94.56 35.11 0.00 0.00
322
+ ATOM 322 C PTH 1 75.31 94.56 36.11 0.00 0.00
323
+ ATOM 323 C PTH 1 75.31 94.56 37.11 0.00 0.00
324
+ ATOM 324 C PTH 1 75.31 95.56 33.11 0.00 0.00
325
+ ATOM 325 C PTH 1 75.31 95.56 34.11 0.00 0.00
326
+ ATOM 326 C PTH 1 75.31 95.56 35.11 0.00 0.00
327
+ ATOM 327 C PTH 1 75.31 95.56 36.11 0.00 0.00
328
+ ATOM 328 C PTH 1 75.31 95.56 37.11 0.00 0.00
329
+ ATOM 329 C PTH 1 75.31 96.56 35.11 0.00 0.00
330
+ ATOM 330 C PTH 1 76.31 92.56 35.11 0.00 0.00
331
+ ATOM 331 C PTH 1 76.31 93.56 34.11 0.00 0.00
332
+ ATOM 332 C PTH 1 76.31 93.56 35.11 0.00 0.00
333
+ ATOM 333 C PTH 1 76.31 93.56 36.11 0.00 0.00
334
+ ATOM 334 C PTH 1 76.31 94.56 34.11 0.00 0.00
335
+ ATOM 335 C PTH 1 76.31 94.56 35.11 0.00 0.00
336
+ ATOM 336 C PTH 1 76.31 94.56 36.11 0.00 0.00
337
+ ATOM 337 C PTH 1 76.31 95.56 35.11 0.00 0.00
data/files/A000F/pocket_03.pdb ADDED
@@ -0,0 +1,212 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 97.31 74.56 45.11 0.00 0.00
2
+ ATOM 2 C PTH 1 97.31 76.56 40.11 0.00 0.00
3
+ ATOM 3 C PTH 1 98.31 70.56 36.11 0.00 0.00
4
+ ATOM 4 C PTH 1 98.31 71.56 36.11 0.00 0.00
5
+ ATOM 5 C PTH 1 98.31 73.56 41.11 0.00 0.00
6
+ ATOM 6 C PTH 1 98.31 73.56 42.11 0.00 0.00
7
+ ATOM 7 C PTH 1 98.31 73.56 43.11 0.00 0.00
8
+ ATOM 8 C PTH 1 98.31 73.56 44.11 0.00 0.00
9
+ ATOM 9 C PTH 1 98.31 73.56 45.11 0.00 0.00
10
+ ATOM 10 C PTH 1 98.31 74.56 39.11 0.00 0.00
11
+ ATOM 11 C PTH 1 98.31 74.56 40.11 0.00 0.00
12
+ ATOM 12 C PTH 1 98.31 74.56 41.11 0.00 0.00
13
+ ATOM 13 C PTH 1 98.31 74.56 42.11 0.00 0.00
14
+ ATOM 14 C PTH 1 98.31 74.56 43.11 0.00 0.00
15
+ ATOM 15 C PTH 1 98.31 74.56 44.11 0.00 0.00
16
+ ATOM 16 C PTH 1 98.31 74.56 45.11 0.00 0.00
17
+ ATOM 17 C PTH 1 98.31 74.56 46.11 0.00 0.00
18
+ ATOM 18 C PTH 1 98.31 75.56 40.11 0.00 0.00
19
+ ATOM 19 C PTH 1 98.31 75.56 41.11 0.00 0.00
20
+ ATOM 20 C PTH 1 98.31 75.56 42.11 0.00 0.00
21
+ ATOM 21 C PTH 1 98.31 75.56 43.11 0.00 0.00
22
+ ATOM 22 C PTH 1 98.31 75.56 44.11 0.00 0.00
23
+ ATOM 23 C PTH 1 98.31 75.56 45.11 0.00 0.00
24
+ ATOM 24 C PTH 1 98.31 75.56 46.11 0.00 0.00
25
+ ATOM 25 C PTH 1 98.31 76.56 40.11 0.00 0.00
26
+ ATOM 26 C PTH 1 98.31 76.56 41.11 0.00 0.00
27
+ ATOM 27 C PTH 1 99.31 69.56 36.11 0.00 0.00
28
+ ATOM 28 C PTH 1 99.31 69.56 37.11 0.00 0.00
29
+ ATOM 29 C PTH 1 99.31 69.56 38.11 0.00 0.00
30
+ ATOM 30 C PTH 1 99.31 69.56 39.11 0.00 0.00
31
+ ATOM 31 C PTH 1 99.31 69.56 40.11 0.00 0.00
32
+ ATOM 32 C PTH 1 99.31 70.56 36.11 0.00 0.00
33
+ ATOM 33 C PTH 1 99.31 70.56 37.11 0.00 0.00
34
+ ATOM 34 C PTH 1 99.31 70.56 38.11 0.00 0.00
35
+ ATOM 35 C PTH 1 99.31 70.56 39.11 0.00 0.00
36
+ ATOM 36 C PTH 1 99.31 70.56 40.11 0.00 0.00
37
+ ATOM 37 C PTH 1 99.31 70.56 41.11 0.00 0.00
38
+ ATOM 38 C PTH 1 99.31 71.56 36.11 0.00 0.00
39
+ ATOM 39 C PTH 1 99.31 71.56 37.11 0.00 0.00
40
+ ATOM 40 C PTH 1 99.31 71.56 38.11 0.00 0.00
41
+ ATOM 41 C PTH 1 99.31 71.56 39.11 0.00 0.00
42
+ ATOM 42 C PTH 1 99.31 71.56 40.11 0.00 0.00
43
+ ATOM 43 C PTH 1 99.31 71.56 41.11 0.00 0.00
44
+ ATOM 44 C PTH 1 99.31 71.56 42.11 0.00 0.00
45
+ ATOM 45 C PTH 1 99.31 71.56 43.11 0.00 0.00
46
+ ATOM 46 C PTH 1 99.31 72.56 36.11 0.00 0.00
47
+ ATOM 47 C PTH 1 99.31 72.56 40.11 0.00 0.00
48
+ ATOM 48 C PTH 1 99.31 72.56 41.11 0.00 0.00
49
+ ATOM 49 C PTH 1 99.31 72.56 42.11 0.00 0.00
50
+ ATOM 50 C PTH 1 99.31 72.56 43.11 0.00 0.00
51
+ ATOM 51 C PTH 1 99.31 72.56 44.11 0.00 0.00
52
+ ATOM 52 C PTH 1 99.31 73.56 40.11 0.00 0.00
53
+ ATOM 53 C PTH 1 99.31 73.56 41.11 0.00 0.00
54
+ ATOM 54 C PTH 1 99.31 73.56 42.11 0.00 0.00
55
+ ATOM 55 C PTH 1 99.31 73.56 43.11 0.00 0.00
56
+ ATOM 56 C PTH 1 99.31 73.56 44.11 0.00 0.00
57
+ ATOM 57 C PTH 1 99.31 73.56 45.11 0.00 0.00
58
+ ATOM 58 C PTH 1 99.31 74.56 39.11 0.00 0.00
59
+ ATOM 59 C PTH 1 99.31 74.56 40.11 0.00 0.00
60
+ ATOM 60 C PTH 1 99.31 74.56 41.11 0.00 0.00
61
+ ATOM 61 C PTH 1 99.31 74.56 42.11 0.00 0.00
62
+ ATOM 62 C PTH 1 99.31 74.56 43.11 0.00 0.00
63
+ ATOM 63 C PTH 1 99.31 74.56 44.11 0.00 0.00
64
+ ATOM 64 C PTH 1 99.31 74.56 45.11 0.00 0.00
65
+ ATOM 65 C PTH 1 99.31 74.56 46.11 0.00 0.00
66
+ ATOM 66 C PTH 1 99.31 75.56 40.11 0.00 0.00
67
+ ATOM 67 C PTH 1 99.31 75.56 41.11 0.00 0.00
68
+ ATOM 68 C PTH 1 99.31 75.56 42.11 0.00 0.00
69
+ ATOM 69 C PTH 1 99.31 75.56 43.11 0.00 0.00
70
+ ATOM 70 C PTH 1 99.31 75.56 44.11 0.00 0.00
71
+ ATOM 71 C PTH 1 99.31 75.56 45.11 0.00 0.00
72
+ ATOM 72 C PTH 1 99.31 75.56 46.11 0.00 0.00
73
+ ATOM 73 C PTH 1 99.31 76.56 40.11 0.00 0.00
74
+ ATOM 74 C PTH 1 99.31 76.56 41.11 0.00 0.00
75
+ ATOM 75 C PTH 1 99.31 76.56 42.11 0.00 0.00
76
+ ATOM 76 C PTH 1 99.31 76.56 43.11 0.00 0.00
77
+ ATOM 77 C PTH 1 100.31 68.56 38.11 0.00 0.00
78
+ ATOM 78 C PTH 1 100.31 68.56 39.11 0.00 0.00
79
+ ATOM 79 C PTH 1 100.31 68.56 40.11 0.00 0.00
80
+ ATOM 80 C PTH 1 100.31 68.56 41.11 0.00 0.00
81
+ ATOM 81 C PTH 1 100.31 69.56 36.11 0.00 0.00
82
+ ATOM 82 C PTH 1 100.31 69.56 37.11 0.00 0.00
83
+ ATOM 83 C PTH 1 100.31 69.56 38.11 0.00 0.00
84
+ ATOM 84 C PTH 1 100.31 69.56 39.11 0.00 0.00
85
+ ATOM 85 C PTH 1 100.31 69.56 40.11 0.00 0.00
86
+ ATOM 86 C PTH 1 100.31 69.56 41.11 0.00 0.00
87
+ ATOM 87 C PTH 1 100.31 70.56 36.11 0.00 0.00
88
+ ATOM 88 C PTH 1 100.31 70.56 37.11 0.00 0.00
89
+ ATOM 89 C PTH 1 100.31 70.56 38.11 0.00 0.00
90
+ ATOM 90 C PTH 1 100.31 70.56 39.11 0.00 0.00
91
+ ATOM 91 C PTH 1 100.31 70.56 40.11 0.00 0.00
92
+ ATOM 92 C PTH 1 100.31 70.56 41.11 0.00 0.00
93
+ ATOM 93 C PTH 1 100.31 70.56 42.11 0.00 0.00
94
+ ATOM 94 C PTH 1 100.31 71.56 36.11 0.00 0.00
95
+ ATOM 95 C PTH 1 100.31 71.56 37.11 0.00 0.00
96
+ ATOM 96 C PTH 1 100.31 71.56 38.11 0.00 0.00
97
+ ATOM 97 C PTH 1 100.31 71.56 39.11 0.00 0.00
98
+ ATOM 98 C PTH 1 100.31 71.56 40.11 0.00 0.00
99
+ ATOM 99 C PTH 1 100.31 71.56 41.11 0.00 0.00
100
+ ATOM 100 C PTH 1 100.31 71.56 42.11 0.00 0.00
101
+ ATOM 101 C PTH 1 100.31 71.56 43.11 0.00 0.00
102
+ ATOM 102 C PTH 1 100.31 72.56 38.11 0.00 0.00
103
+ ATOM 103 C PTH 1 100.31 72.56 39.11 0.00 0.00
104
+ ATOM 104 C PTH 1 100.31 72.56 40.11 0.00 0.00
105
+ ATOM 105 C PTH 1 100.31 72.56 41.11 0.00 0.00
106
+ ATOM 106 C PTH 1 100.31 72.56 42.11 0.00 0.00
107
+ ATOM 107 C PTH 1 100.31 72.56 43.11 0.00 0.00
108
+ ATOM 108 C PTH 1 100.31 72.56 44.11 0.00 0.00
109
+ ATOM 109 C PTH 1 100.31 73.56 40.11 0.00 0.00
110
+ ATOM 110 C PTH 1 100.31 73.56 41.11 0.00 0.00
111
+ ATOM 111 C PTH 1 100.31 73.56 42.11 0.00 0.00
112
+ ATOM 112 C PTH 1 100.31 73.56 43.11 0.00 0.00
113
+ ATOM 113 C PTH 1 100.31 73.56 44.11 0.00 0.00
114
+ ATOM 114 C PTH 1 100.31 73.56 45.11 0.00 0.00
115
+ ATOM 115 C PTH 1 100.31 74.56 40.11 0.00 0.00
116
+ ATOM 116 C PTH 1 100.31 74.56 41.11 0.00 0.00
117
+ ATOM 117 C PTH 1 100.31 74.56 42.11 0.00 0.00
118
+ ATOM 118 C PTH 1 100.31 74.56 43.11 0.00 0.00
119
+ ATOM 119 C PTH 1 100.31 74.56 44.11 0.00 0.00
120
+ ATOM 120 C PTH 1 100.31 74.56 45.11 0.00 0.00
121
+ ATOM 121 C PTH 1 100.31 74.56 46.11 0.00 0.00
122
+ ATOM 122 C PTH 1 100.31 75.56 40.11 0.00 0.00
123
+ ATOM 123 C PTH 1 100.31 75.56 41.11 0.00 0.00
124
+ ATOM 124 C PTH 1 100.31 75.56 42.11 0.00 0.00
125
+ ATOM 125 C PTH 1 100.31 75.56 43.11 0.00 0.00
126
+ ATOM 126 C PTH 1 100.31 75.56 44.11 0.00 0.00
127
+ ATOM 127 C PTH 1 100.31 75.56 45.11 0.00 0.00
128
+ ATOM 128 C PTH 1 100.31 75.56 46.11 0.00 0.00
129
+ ATOM 129 C PTH 1 100.31 76.56 40.11 0.00 0.00
130
+ ATOM 130 C PTH 1 100.31 76.56 41.11 0.00 0.00
131
+ ATOM 131 C PTH 1 100.31 76.56 42.11 0.00 0.00
132
+ ATOM 132 C PTH 1 100.31 76.56 43.11 0.00 0.00
133
+ ATOM 133 C PTH 1 100.31 76.56 44.11 0.00 0.00
134
+ ATOM 134 C PTH 1 101.31 68.56 38.11 0.00 0.00
135
+ ATOM 135 C PTH 1 101.31 68.56 39.11 0.00 0.00
136
+ ATOM 136 C PTH 1 101.31 68.56 40.11 0.00 0.00
137
+ ATOM 137 C PTH 1 101.31 68.56 41.11 0.00 0.00
138
+ ATOM 138 C PTH 1 101.31 69.56 36.11 0.00 0.00
139
+ ATOM 139 C PTH 1 101.31 69.56 37.11 0.00 0.00
140
+ ATOM 140 C PTH 1 101.31 69.56 38.11 0.00 0.00
141
+ ATOM 141 C PTH 1 101.31 69.56 39.11 0.00 0.00
142
+ ATOM 142 C PTH 1 101.31 69.56 40.11 0.00 0.00
143
+ ATOM 143 C PTH 1 101.31 69.56 41.11 0.00 0.00
144
+ ATOM 144 C PTH 1 101.31 70.56 36.11 0.00 0.00
145
+ ATOM 145 C PTH 1 101.31 70.56 37.11 0.00 0.00
146
+ ATOM 146 C PTH 1 101.31 70.56 38.11 0.00 0.00
147
+ ATOM 147 C PTH 1 101.31 70.56 39.11 0.00 0.00
148
+ ATOM 148 C PTH 1 101.31 70.56 40.11 0.00 0.00
149
+ ATOM 149 C PTH 1 101.31 70.56 41.11 0.00 0.00
150
+ ATOM 150 C PTH 1 101.31 70.56 42.11 0.00 0.00
151
+ ATOM 151 C PTH 1 101.31 71.56 37.11 0.00 0.00
152
+ ATOM 152 C PTH 1 101.31 71.56 38.11 0.00 0.00
153
+ ATOM 153 C PTH 1 101.31 71.56 39.11 0.00 0.00
154
+ ATOM 154 C PTH 1 101.31 71.56 40.11 0.00 0.00
155
+ ATOM 155 C PTH 1 101.31 71.56 41.11 0.00 0.00
156
+ ATOM 156 C PTH 1 101.31 71.56 42.11 0.00 0.00
157
+ ATOM 157 C PTH 1 101.31 71.56 43.11 0.00 0.00
158
+ ATOM 158 C PTH 1 101.31 72.56 39.11 0.00 0.00
159
+ ATOM 159 C PTH 1 101.31 72.56 40.11 0.00 0.00
160
+ ATOM 160 C PTH 1 101.31 72.56 41.11 0.00 0.00
161
+ ATOM 161 C PTH 1 101.31 72.56 42.11 0.00 0.00
162
+ ATOM 162 C PTH 1 101.31 72.56 43.11 0.00 0.00
163
+ ATOM 163 C PTH 1 101.31 72.56 44.11 0.00 0.00
164
+ ATOM 164 C PTH 1 101.31 73.56 40.11 0.00 0.00
165
+ ATOM 165 C PTH 1 101.31 73.56 41.11 0.00 0.00
166
+ ATOM 166 C PTH 1 101.31 73.56 42.11 0.00 0.00
167
+ ATOM 167 C PTH 1 101.31 73.56 43.11 0.00 0.00
168
+ ATOM 168 C PTH 1 101.31 73.56 44.11 0.00 0.00
169
+ ATOM 169 C PTH 1 101.31 73.56 45.11 0.00 0.00
170
+ ATOM 170 C PTH 1 101.31 74.56 41.11 0.00 0.00
171
+ ATOM 171 C PTH 1 101.31 74.56 42.11 0.00 0.00
172
+ ATOM 172 C PTH 1 101.31 74.56 43.11 0.00 0.00
173
+ ATOM 173 C PTH 1 101.31 74.56 44.11 0.00 0.00
174
+ ATOM 174 C PTH 1 101.31 74.56 45.11 0.00 0.00
175
+ ATOM 175 C PTH 1 101.31 75.56 41.11 0.00 0.00
176
+ ATOM 176 C PTH 1 101.31 75.56 42.11 0.00 0.00
177
+ ATOM 177 C PTH 1 101.31 75.56 43.11 0.00 0.00
178
+ ATOM 178 C PTH 1 101.31 75.56 44.11 0.00 0.00
179
+ ATOM 179 C PTH 1 101.31 75.56 45.11 0.00 0.00
180
+ ATOM 180 C PTH 1 101.31 76.56 43.11 0.00 0.00
181
+ ATOM 181 C PTH 1 102.31 68.56 38.11 0.00 0.00
182
+ ATOM 182 C PTH 1 102.31 68.56 39.11 0.00 0.00
183
+ ATOM 183 C PTH 1 102.31 68.56 40.11 0.00 0.00
184
+ ATOM 184 C PTH 1 102.31 69.56 38.11 0.00 0.00
185
+ ATOM 185 C PTH 1 102.31 69.56 39.11 0.00 0.00
186
+ ATOM 186 C PTH 1 102.31 69.56 40.11 0.00 0.00
187
+ ATOM 187 C PTH 1 102.31 69.56 41.11 0.00 0.00
188
+ ATOM 188 C PTH 1 102.31 70.56 38.11 0.00 0.00
189
+ ATOM 189 C PTH 1 102.31 70.56 39.11 0.00 0.00
190
+ ATOM 190 C PTH 1 102.31 70.56 40.11 0.00 0.00
191
+ ATOM 191 C PTH 1 102.31 70.56 41.11 0.00 0.00
192
+ ATOM 192 C PTH 1 102.31 70.56 42.11 0.00 0.00
193
+ ATOM 193 C PTH 1 102.31 71.56 38.11 0.00 0.00
194
+ ATOM 194 C PTH 1 102.31 71.56 39.11 0.00 0.00
195
+ ATOM 195 C PTH 1 102.31 71.56 40.11 0.00 0.00
196
+ ATOM 196 C PTH 1 102.31 71.56 41.11 0.00 0.00
197
+ ATOM 197 C PTH 1 102.31 71.56 42.11 0.00 0.00
198
+ ATOM 198 C PTH 1 102.31 72.56 40.11 0.00 0.00
199
+ ATOM 199 C PTH 1 102.31 72.56 41.11 0.00 0.00
200
+ ATOM 200 C PTH 1 102.31 72.56 42.11 0.00 0.00
201
+ ATOM 201 C PTH 1 102.31 72.56 43.11 0.00 0.00
202
+ ATOM 202 C PTH 1 102.31 73.56 41.11 0.00 0.00
203
+ ATOM 203 C PTH 1 102.31 73.56 42.11 0.00 0.00
204
+ ATOM 204 C PTH 1 102.31 73.56 43.11 0.00 0.00
205
+ ATOM 205 C PTH 1 102.31 73.56 44.11 0.00 0.00
206
+ ATOM 206 C PTH 1 102.31 74.56 43.11 0.00 0.00
207
+ ATOM 207 C PTH 1 102.31 74.56 44.11 0.00 0.00
208
+ ATOM 208 C PTH 1 102.31 74.56 45.11 0.00 0.00
209
+ ATOM 209 C PTH 1 102.31 75.56 43.11 0.00 0.00
210
+ ATOM 210 C PTH 1 102.31 75.56 44.11 0.00 0.00
211
+ ATOM 211 C PTH 1 102.31 75.56 45.11 0.00 0.00
212
+ ATOM 212 C PTH 1 103.31 71.56 41.11 0.00 0.00
data/files/A000F/pocket_04.pdb ADDED
@@ -0,0 +1,165 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 84.31 93.56 24.11 0.00 0.00
2
+ ATOM 2 C PTH 1 84.31 94.56 18.11 0.00 0.00
3
+ ATOM 3 C PTH 1 84.31 94.56 19.11 0.00 0.00
4
+ ATOM 4 C PTH 1 84.31 94.56 20.11 0.00 0.00
5
+ ATOM 5 C PTH 1 84.31 94.56 21.11 0.00 0.00
6
+ ATOM 6 C PTH 1 84.31 94.56 22.11 0.00 0.00
7
+ ATOM 7 C PTH 1 84.31 94.56 23.11 0.00 0.00
8
+ ATOM 8 C PTH 1 84.31 94.56 24.11 0.00 0.00
9
+ ATOM 9 C PTH 1 84.31 95.56 18.11 0.00 0.00
10
+ ATOM 10 C PTH 1 84.31 95.56 19.11 0.00 0.00
11
+ ATOM 11 C PTH 1 84.31 95.56 20.11 0.00 0.00
12
+ ATOM 12 C PTH 1 84.31 95.56 21.11 0.00 0.00
13
+ ATOM 13 C PTH 1 84.31 95.56 22.11 0.00 0.00
14
+ ATOM 14 C PTH 1 84.31 95.56 23.11 0.00 0.00
15
+ ATOM 15 C PTH 1 84.31 95.56 24.11 0.00 0.00
16
+ ATOM 16 C PTH 1 84.31 96.56 18.11 0.00 0.00
17
+ ATOM 17 C PTH 1 84.31 96.56 19.11 0.00 0.00
18
+ ATOM 18 C PTH 1 84.31 96.56 20.11 0.00 0.00
19
+ ATOM 19 C PTH 1 84.31 96.56 21.11 0.00 0.00
20
+ ATOM 20 C PTH 1 84.31 96.56 22.11 0.00 0.00
21
+ ATOM 21 C PTH 1 84.31 96.56 23.11 0.00 0.00
22
+ ATOM 22 C PTH 1 84.31 96.56 24.11 0.00 0.00
23
+ ATOM 23 C PTH 1 84.31 97.56 22.11 0.00 0.00
24
+ ATOM 24 C PTH 1 84.31 97.56 23.11 0.00 0.00
25
+ ATOM 25 C PTH 1 84.31 99.56 21.11 0.00 0.00
26
+ ATOM 26 C PTH 1 84.31 100.56 20.11 0.00 0.00
27
+ ATOM 27 C PTH 1 84.31 100.56 21.11 0.00 0.00
28
+ ATOM 28 C PTH 1 85.31 93.56 18.11 0.00 0.00
29
+ ATOM 29 C PTH 1 85.31 93.56 19.11 0.00 0.00
30
+ ATOM 30 C PTH 1 85.31 93.56 20.11 0.00 0.00
31
+ ATOM 31 C PTH 1 85.31 93.56 21.11 0.00 0.00
32
+ ATOM 32 C PTH 1 85.31 94.56 17.11 0.00 0.00
33
+ ATOM 33 C PTH 1 85.31 94.56 18.11 0.00 0.00
34
+ ATOM 34 C PTH 1 85.31 94.56 19.11 0.00 0.00
35
+ ATOM 35 C PTH 1 85.31 94.56 20.11 0.00 0.00
36
+ ATOM 36 C PTH 1 85.31 94.56 21.11 0.00 0.00
37
+ ATOM 37 C PTH 1 85.31 94.56 22.11 0.00 0.00
38
+ ATOM 38 C PTH 1 85.31 94.56 23.11 0.00 0.00
39
+ ATOM 39 C PTH 1 85.31 94.56 24.11 0.00 0.00
40
+ ATOM 40 C PTH 1 85.31 95.56 17.11 0.00 0.00
41
+ ATOM 41 C PTH 1 85.31 95.56 18.11 0.00 0.00
42
+ ATOM 42 C PTH 1 85.31 95.56 19.11 0.00 0.00
43
+ ATOM 43 C PTH 1 85.31 95.56 20.11 0.00 0.00
44
+ ATOM 44 C PTH 1 85.31 95.56 21.11 0.00 0.00
45
+ ATOM 45 C PTH 1 85.31 95.56 22.11 0.00 0.00
46
+ ATOM 46 C PTH 1 85.31 95.56 23.11 0.00 0.00
47
+ ATOM 47 C PTH 1 85.31 95.56 24.11 0.00 0.00
48
+ ATOM 48 C PTH 1 85.31 96.56 17.11 0.00 0.00
49
+ ATOM 49 C PTH 1 85.31 96.56 18.11 0.00 0.00
50
+ ATOM 50 C PTH 1 85.31 96.56 19.11 0.00 0.00
51
+ ATOM 51 C PTH 1 85.31 96.56 20.11 0.00 0.00
52
+ ATOM 52 C PTH 1 85.31 96.56 21.11 0.00 0.00
53
+ ATOM 53 C PTH 1 85.31 96.56 22.11 0.00 0.00
54
+ ATOM 54 C PTH 1 85.31 96.56 23.11 0.00 0.00
55
+ ATOM 55 C PTH 1 85.31 96.56 24.11 0.00 0.00
56
+ ATOM 56 C PTH 1 85.31 97.56 18.11 0.00 0.00
57
+ ATOM 57 C PTH 1 85.31 97.56 19.11 0.00 0.00
58
+ ATOM 58 C PTH 1 85.31 97.56 20.11 0.00 0.00
59
+ ATOM 59 C PTH 1 85.31 97.56 21.11 0.00 0.00
60
+ ATOM 60 C PTH 1 85.31 97.56 22.11 0.00 0.00
61
+ ATOM 61 C PTH 1 85.31 97.56 23.11 0.00 0.00
62
+ ATOM 62 C PTH 1 85.31 97.56 24.11 0.00 0.00
63
+ ATOM 63 C PTH 1 85.31 98.56 19.11 0.00 0.00
64
+ ATOM 64 C PTH 1 85.31 98.56 20.11 0.00 0.00
65
+ ATOM 65 C PTH 1 85.31 98.56 21.11 0.00 0.00
66
+ ATOM 66 C PTH 1 85.31 98.56 22.11 0.00 0.00
67
+ ATOM 67 C PTH 1 85.31 98.56 23.11 0.00 0.00
68
+ ATOM 68 C PTH 1 86.31 92.56 19.11 0.00 0.00
69
+ ATOM 69 C PTH 1 86.31 93.56 18.11 0.00 0.00
70
+ ATOM 70 C PTH 1 86.31 93.56 19.11 0.00 0.00
71
+ ATOM 71 C PTH 1 86.31 93.56 20.11 0.00 0.00
72
+ ATOM 72 C PTH 1 86.31 93.56 21.11 0.00 0.00
73
+ ATOM 73 C PTH 1 86.31 94.56 17.11 0.00 0.00
74
+ ATOM 74 C PTH 1 86.31 94.56 18.11 0.00 0.00
75
+ ATOM 75 C PTH 1 86.31 94.56 19.11 0.00 0.00
76
+ ATOM 76 C PTH 1 86.31 94.56 20.11 0.00 0.00
77
+ ATOM 77 C PTH 1 86.31 94.56 21.11 0.00 0.00
78
+ ATOM 78 C PTH 1 86.31 94.56 22.11 0.00 0.00
79
+ ATOM 79 C PTH 1 86.31 94.56 23.11 0.00 0.00
80
+ ATOM 80 C PTH 1 86.31 95.56 17.11 0.00 0.00
81
+ ATOM 81 C PTH 1 86.31 95.56 18.11 0.00 0.00
82
+ ATOM 82 C PTH 1 86.31 95.56 19.11 0.00 0.00
83
+ ATOM 83 C PTH 1 86.31 95.56 20.11 0.00 0.00
84
+ ATOM 84 C PTH 1 86.31 95.56 21.11 0.00 0.00
85
+ ATOM 85 C PTH 1 86.31 95.56 22.11 0.00 0.00
86
+ ATOM 86 C PTH 1 86.31 95.56 23.11 0.00 0.00
87
+ ATOM 87 C PTH 1 86.31 95.56 24.11 0.00 0.00
88
+ ATOM 88 C PTH 1 86.31 96.56 17.11 0.00 0.00
89
+ ATOM 89 C PTH 1 86.31 96.56 18.11 0.00 0.00
90
+ ATOM 90 C PTH 1 86.31 96.56 19.11 0.00 0.00
91
+ ATOM 91 C PTH 1 86.31 96.56 20.11 0.00 0.00
92
+ ATOM 92 C PTH 1 86.31 96.56 21.11 0.00 0.00
93
+ ATOM 93 C PTH 1 86.31 96.56 22.11 0.00 0.00
94
+ ATOM 94 C PTH 1 86.31 96.56 23.11 0.00 0.00
95
+ ATOM 95 C PTH 1 86.31 96.56 24.11 0.00 0.00
96
+ ATOM 96 C PTH 1 86.31 97.56 18.11 0.00 0.00
97
+ ATOM 97 C PTH 1 86.31 97.56 19.11 0.00 0.00
98
+ ATOM 98 C PTH 1 86.31 97.56 20.11 0.00 0.00
99
+ ATOM 99 C PTH 1 86.31 97.56 21.11 0.00 0.00
100
+ ATOM 100 C PTH 1 86.31 97.56 22.11 0.00 0.00
101
+ ATOM 101 C PTH 1 86.31 97.56 23.11 0.00 0.00
102
+ ATOM 102 C PTH 1 86.31 98.56 19.11 0.00 0.00
103
+ ATOM 103 C PTH 1 86.31 98.56 20.11 0.00 0.00
104
+ ATOM 104 C PTH 1 86.31 98.56 21.11 0.00 0.00
105
+ ATOM 105 C PTH 1 86.31 98.56 22.11 0.00 0.00
106
+ ATOM 106 C PTH 1 86.31 98.56 23.11 0.00 0.00
107
+ ATOM 107 C PTH 1 87.31 92.56 19.11 0.00 0.00
108
+ ATOM 108 C PTH 1 87.31 93.56 18.11 0.00 0.00
109
+ ATOM 109 C PTH 1 87.31 93.56 19.11 0.00 0.00
110
+ ATOM 110 C PTH 1 87.31 93.56 20.11 0.00 0.00
111
+ ATOM 111 C PTH 1 87.31 93.56 21.11 0.00 0.00
112
+ ATOM 112 C PTH 1 87.31 94.56 17.11 0.00 0.00
113
+ ATOM 113 C PTH 1 87.31 94.56 18.11 0.00 0.00
114
+ ATOM 114 C PTH 1 87.31 94.56 19.11 0.00 0.00
115
+ ATOM 115 C PTH 1 87.31 94.56 20.11 0.00 0.00
116
+ ATOM 116 C PTH 1 87.31 94.56 21.11 0.00 0.00
117
+ ATOM 117 C PTH 1 87.31 94.56 22.11 0.00 0.00
118
+ ATOM 118 C PTH 1 87.31 95.56 17.11 0.00 0.00
119
+ ATOM 119 C PTH 1 87.31 95.56 18.11 0.00 0.00
120
+ ATOM 120 C PTH 1 87.31 95.56 19.11 0.00 0.00
121
+ ATOM 121 C PTH 1 87.31 95.56 20.11 0.00 0.00
122
+ ATOM 122 C PTH 1 87.31 95.56 21.11 0.00 0.00
123
+ ATOM 123 C PTH 1 87.31 95.56 22.11 0.00 0.00
124
+ ATOM 124 C PTH 1 87.31 95.56 23.11 0.00 0.00
125
+ ATOM 125 C PTH 1 87.31 96.56 17.11 0.00 0.00
126
+ ATOM 126 C PTH 1 87.31 96.56 18.11 0.00 0.00
127
+ ATOM 127 C PTH 1 87.31 96.56 19.11 0.00 0.00
128
+ ATOM 128 C PTH 1 87.31 96.56 20.11 0.00 0.00
129
+ ATOM 129 C PTH 1 87.31 96.56 21.11 0.00 0.00
130
+ ATOM 130 C PTH 1 87.31 96.56 22.11 0.00 0.00
131
+ ATOM 131 C PTH 1 87.31 96.56 23.11 0.00 0.00
132
+ ATOM 132 C PTH 1 87.31 97.56 18.11 0.00 0.00
133
+ ATOM 133 C PTH 1 87.31 97.56 19.11 0.00 0.00
134
+ ATOM 134 C PTH 1 87.31 97.56 20.11 0.00 0.00
135
+ ATOM 135 C PTH 1 87.31 97.56 21.11 0.00 0.00
136
+ ATOM 136 C PTH 1 87.31 97.56 22.11 0.00 0.00
137
+ ATOM 137 C PTH 1 87.31 97.56 23.11 0.00 0.00
138
+ ATOM 138 C PTH 1 87.31 98.56 19.11 0.00 0.00
139
+ ATOM 139 C PTH 1 87.31 98.56 20.11 0.00 0.00
140
+ ATOM 140 C PTH 1 87.31 98.56 21.11 0.00 0.00
141
+ ATOM 141 C PTH 1 87.31 98.56 22.11 0.00 0.00
142
+ ATOM 142 C PTH 1 87.31 98.56 23.11 0.00 0.00
143
+ ATOM 143 C PTH 1 88.31 93.56 18.11 0.00 0.00
144
+ ATOM 144 C PTH 1 88.31 93.56 19.11 0.00 0.00
145
+ ATOM 145 C PTH 1 88.31 93.56 20.11 0.00 0.00
146
+ ATOM 146 C PTH 1 88.31 94.56 18.11 0.00 0.00
147
+ ATOM 147 C PTH 1 88.31 94.56 19.11 0.00 0.00
148
+ ATOM 148 C PTH 1 88.31 94.56 20.11 0.00 0.00
149
+ ATOM 149 C PTH 1 88.31 94.56 21.11 0.00 0.00
150
+ ATOM 150 C PTH 1 88.31 95.56 19.11 0.00 0.00
151
+ ATOM 151 C PTH 1 88.31 95.56 20.11 0.00 0.00
152
+ ATOM 152 C PTH 1 88.31 95.56 21.11 0.00 0.00
153
+ ATOM 153 C PTH 1 88.31 96.56 19.11 0.00 0.00
154
+ ATOM 154 C PTH 1 88.31 96.56 20.11 0.00 0.00
155
+ ATOM 155 C PTH 1 88.31 96.56 21.11 0.00 0.00
156
+ ATOM 156 C PTH 1 88.31 96.56 22.11 0.00 0.00
157
+ ATOM 157 C PTH 1 88.31 96.56 23.11 0.00 0.00
158
+ ATOM 158 C PTH 1 88.31 97.56 19.11 0.00 0.00
159
+ ATOM 159 C PTH 1 88.31 97.56 20.11 0.00 0.00
160
+ ATOM 160 C PTH 1 88.31 97.56 21.11 0.00 0.00
161
+ ATOM 161 C PTH 1 88.31 97.56 22.11 0.00 0.00
162
+ ATOM 162 C PTH 1 88.31 97.56 23.11 0.00 0.00
163
+ ATOM 163 C PTH 1 88.31 98.56 20.11 0.00 0.00
164
+ ATOM 164 C PTH 1 88.31 98.56 21.11 0.00 0.00
165
+ ATOM 165 C PTH 1 88.31 98.56 22.11 0.00 0.00
data/files/A000F/pocket_05.pdb ADDED
@@ -0,0 +1,153 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 79.31 90.56 50.11 0.00 0.00
2
+ ATOM 2 C PTH 1 79.31 90.56 51.11 0.00 0.00
3
+ ATOM 3 C PTH 1 79.31 91.56 49.11 0.00 0.00
4
+ ATOM 4 C PTH 1 79.31 91.56 50.11 0.00 0.00
5
+ ATOM 5 C PTH 1 79.31 91.56 51.11 0.00 0.00
6
+ ATOM 6 C PTH 1 79.31 92.56 48.11 0.00 0.00
7
+ ATOM 7 C PTH 1 79.31 92.56 49.11 0.00 0.00
8
+ ATOM 8 C PTH 1 79.31 92.56 50.11 0.00 0.00
9
+ ATOM 9 C PTH 1 79.31 92.56 51.11 0.00 0.00
10
+ ATOM 10 C PTH 1 79.31 93.56 48.11 0.00 0.00
11
+ ATOM 11 C PTH 1 79.31 93.56 49.11 0.00 0.00
12
+ ATOM 12 C PTH 1 80.31 89.56 46.11 0.00 0.00
13
+ ATOM 13 C PTH 1 80.31 90.56 47.11 0.00 0.00
14
+ ATOM 14 C PTH 1 80.31 90.56 48.11 0.00 0.00
15
+ ATOM 15 C PTH 1 80.31 90.56 49.11 0.00 0.00
16
+ ATOM 16 C PTH 1 80.31 90.56 50.11 0.00 0.00
17
+ ATOM 17 C PTH 1 80.31 90.56 51.11 0.00 0.00
18
+ ATOM 18 C PTH 1 80.31 91.56 48.11 0.00 0.00
19
+ ATOM 19 C PTH 1 80.31 91.56 49.11 0.00 0.00
20
+ ATOM 20 C PTH 1 80.31 91.56 50.11 0.00 0.00
21
+ ATOM 21 C PTH 1 80.31 91.56 51.11 0.00 0.00
22
+ ATOM 22 C PTH 1 80.31 92.56 47.11 0.00 0.00
23
+ ATOM 23 C PTH 1 80.31 92.56 48.11 0.00 0.00
24
+ ATOM 24 C PTH 1 80.31 92.56 49.11 0.00 0.00
25
+ ATOM 25 C PTH 1 80.31 92.56 50.11 0.00 0.00
26
+ ATOM 26 C PTH 1 80.31 92.56 51.11 0.00 0.00
27
+ ATOM 27 C PTH 1 80.31 93.56 47.11 0.00 0.00
28
+ ATOM 28 C PTH 1 80.31 93.56 48.11 0.00 0.00
29
+ ATOM 29 C PTH 1 80.31 93.56 49.11 0.00 0.00
30
+ ATOM 30 C PTH 1 80.31 93.56 50.11 0.00 0.00
31
+ ATOM 31 C PTH 1 80.31 93.56 51.11 0.00 0.00
32
+ ATOM 32 C PTH 1 80.31 94.56 47.11 0.00 0.00
33
+ ATOM 33 C PTH 1 81.31 89.56 46.11 0.00 0.00
34
+ ATOM 34 C PTH 1 81.31 89.56 47.11 0.00 0.00
35
+ ATOM 35 C PTH 1 81.31 90.56 46.11 0.00 0.00
36
+ ATOM 36 C PTH 1 81.31 90.56 47.11 0.00 0.00
37
+ ATOM 37 C PTH 1 81.31 90.56 48.11 0.00 0.00
38
+ ATOM 38 C PTH 1 81.31 90.56 49.11 0.00 0.00
39
+ ATOM 39 C PTH 1 81.31 90.56 50.11 0.00 0.00
40
+ ATOM 40 C PTH 1 81.31 90.56 51.11 0.00 0.00
41
+ ATOM 41 C PTH 1 81.31 91.56 47.11 0.00 0.00
42
+ ATOM 42 C PTH 1 81.31 91.56 48.11 0.00 0.00
43
+ ATOM 43 C PTH 1 81.31 91.56 49.11 0.00 0.00
44
+ ATOM 44 C PTH 1 81.31 91.56 50.11 0.00 0.00
45
+ ATOM 45 C PTH 1 81.31 91.56 51.11 0.00 0.00
46
+ ATOM 46 C PTH 1 81.31 92.56 47.11 0.00 0.00
47
+ ATOM 47 C PTH 1 81.31 92.56 48.11 0.00 0.00
48
+ ATOM 48 C PTH 1 81.31 92.56 49.11 0.00 0.00
49
+ ATOM 49 C PTH 1 81.31 92.56 50.11 0.00 0.00
50
+ ATOM 50 C PTH 1 81.31 92.56 51.11 0.00 0.00
51
+ ATOM 51 C PTH 1 81.31 93.56 47.11 0.00 0.00
52
+ ATOM 52 C PTH 1 81.31 93.56 48.11 0.00 0.00
53
+ ATOM 53 C PTH 1 81.31 93.56 49.11 0.00 0.00
54
+ ATOM 54 C PTH 1 81.31 93.56 50.11 0.00 0.00
55
+ ATOM 55 C PTH 1 81.31 93.56 51.11 0.00 0.00
56
+ ATOM 56 C PTH 1 81.31 94.56 47.11 0.00 0.00
57
+ ATOM 57 C PTH 1 81.31 94.56 48.11 0.00 0.00
58
+ ATOM 58 C PTH 1 81.31 94.56 49.11 0.00 0.00
59
+ ATOM 59 C PTH 1 82.31 89.56 47.11 0.00 0.00
60
+ ATOM 60 C PTH 1 82.31 89.56 48.11 0.00 0.00
61
+ ATOM 61 C PTH 1 82.31 89.56 49.11 0.00 0.00
62
+ ATOM 62 C PTH 1 82.31 89.56 50.11 0.00 0.00
63
+ ATOM 63 C PTH 1 82.31 90.56 46.11 0.00 0.00
64
+ ATOM 64 C PTH 1 82.31 90.56 47.11 0.00 0.00
65
+ ATOM 65 C PTH 1 82.31 90.56 48.11 0.00 0.00
66
+ ATOM 66 C PTH 1 82.31 90.56 49.11 0.00 0.00
67
+ ATOM 67 C PTH 1 82.31 90.56 50.11 0.00 0.00
68
+ ATOM 68 C PTH 1 82.31 90.56 51.11 0.00 0.00
69
+ ATOM 69 C PTH 1 82.31 90.56 52.11 0.00 0.00
70
+ ATOM 70 C PTH 1 82.31 91.56 47.11 0.00 0.00
71
+ ATOM 71 C PTH 1 82.31 91.56 48.11 0.00 0.00
72
+ ATOM 72 C PTH 1 82.31 91.56 49.11 0.00 0.00
73
+ ATOM 73 C PTH 1 82.31 91.56 50.11 0.00 0.00
74
+ ATOM 74 C PTH 1 82.31 91.56 51.11 0.00 0.00
75
+ ATOM 75 C PTH 1 82.31 91.56 52.11 0.00 0.00
76
+ ATOM 76 C PTH 1 82.31 92.56 47.11 0.00 0.00
77
+ ATOM 77 C PTH 1 82.31 92.56 48.11 0.00 0.00
78
+ ATOM 78 C PTH 1 82.31 92.56 49.11 0.00 0.00
79
+ ATOM 79 C PTH 1 82.31 92.56 50.11 0.00 0.00
80
+ ATOM 80 C PTH 1 82.31 92.56 51.11 0.00 0.00
81
+ ATOM 81 C PTH 1 82.31 92.56 52.11 0.00 0.00
82
+ ATOM 82 C PTH 1 82.31 93.56 46.11 0.00 0.00
83
+ ATOM 83 C PTH 1 82.31 93.56 47.11 0.00 0.00
84
+ ATOM 84 C PTH 1 82.31 93.56 48.11 0.00 0.00
85
+ ATOM 85 C PTH 1 82.31 93.56 49.11 0.00 0.00
86
+ ATOM 86 C PTH 1 82.31 93.56 50.11 0.00 0.00
87
+ ATOM 87 C PTH 1 82.31 93.56 51.11 0.00 0.00
88
+ ATOM 88 C PTH 1 82.31 94.56 46.11 0.00 0.00
89
+ ATOM 89 C PTH 1 82.31 94.56 47.11 0.00 0.00
90
+ ATOM 90 C PTH 1 82.31 94.56 48.11 0.00 0.00
91
+ ATOM 91 C PTH 1 82.31 94.56 49.11 0.00 0.00
92
+ ATOM 92 C PTH 1 82.31 95.56 47.11 0.00 0.00
93
+ ATOM 93 C PTH 1 82.31 95.56 48.11 0.00 0.00
94
+ ATOM 94 C PTH 1 83.31 89.56 48.11 0.00 0.00
95
+ ATOM 95 C PTH 1 83.31 89.56 49.11 0.00 0.00
96
+ ATOM 96 C PTH 1 83.31 89.56 50.11 0.00 0.00
97
+ ATOM 97 C PTH 1 83.31 90.56 47.11 0.00 0.00
98
+ ATOM 98 C PTH 1 83.31 90.56 48.11 0.00 0.00
99
+ ATOM 99 C PTH 1 83.31 90.56 49.11 0.00 0.00
100
+ ATOM 100 C PTH 1 83.31 90.56 50.11 0.00 0.00
101
+ ATOM 101 C PTH 1 83.31 90.56 51.11 0.00 0.00
102
+ ATOM 102 C PTH 1 83.31 91.56 47.11 0.00 0.00
103
+ ATOM 103 C PTH 1 83.31 91.56 48.11 0.00 0.00
104
+ ATOM 104 C PTH 1 83.31 91.56 49.11 0.00 0.00
105
+ ATOM 105 C PTH 1 83.31 91.56 50.11 0.00 0.00
106
+ ATOM 106 C PTH 1 83.31 91.56 51.11 0.00 0.00
107
+ ATOM 107 C PTH 1 83.31 92.56 47.11 0.00 0.00
108
+ ATOM 108 C PTH 1 83.31 92.56 48.11 0.00 0.00
109
+ ATOM 109 C PTH 1 83.31 92.56 49.11 0.00 0.00
110
+ ATOM 110 C PTH 1 83.31 92.56 50.11 0.00 0.00
111
+ ATOM 111 C PTH 1 83.31 92.56 51.11 0.00 0.00
112
+ ATOM 112 C PTH 1 83.31 92.56 52.11 0.00 0.00
113
+ ATOM 113 C PTH 1 83.31 93.56 47.11 0.00 0.00
114
+ ATOM 114 C PTH 1 83.31 93.56 48.11 0.00 0.00
115
+ ATOM 115 C PTH 1 83.31 93.56 49.11 0.00 0.00
116
+ ATOM 116 C PTH 1 83.31 93.56 50.11 0.00 0.00
117
+ ATOM 117 C PTH 1 83.31 93.56 51.11 0.00 0.00
118
+ ATOM 118 C PTH 1 83.31 94.56 46.11 0.00 0.00
119
+ ATOM 119 C PTH 1 83.31 94.56 47.11 0.00 0.00
120
+ ATOM 120 C PTH 1 83.31 94.56 48.11 0.00 0.00
121
+ ATOM 121 C PTH 1 83.31 94.56 49.11 0.00 0.00
122
+ ATOM 122 C PTH 1 83.31 95.56 46.11 0.00 0.00
123
+ ATOM 123 C PTH 1 83.31 95.56 47.11 0.00 0.00
124
+ ATOM 124 C PTH 1 83.31 95.56 48.11 0.00 0.00
125
+ ATOM 125 C PTH 1 83.31 95.56 49.11 0.00 0.00
126
+ ATOM 126 C PTH 1 84.31 89.56 48.11 0.00 0.00
127
+ ATOM 127 C PTH 1 84.31 89.56 49.11 0.00 0.00
128
+ ATOM 128 C PTH 1 84.31 89.56 50.11 0.00 0.00
129
+ ATOM 129 C PTH 1 84.31 90.56 48.11 0.00 0.00
130
+ ATOM 130 C PTH 1 84.31 90.56 49.11 0.00 0.00
131
+ ATOM 131 C PTH 1 84.31 90.56 50.11 0.00 0.00
132
+ ATOM 132 C PTH 1 84.31 90.56 51.11 0.00 0.00
133
+ ATOM 133 C PTH 1 84.31 91.56 48.11 0.00 0.00
134
+ ATOM 134 C PTH 1 84.31 91.56 49.11 0.00 0.00
135
+ ATOM 135 C PTH 1 84.31 91.56 50.11 0.00 0.00
136
+ ATOM 136 C PTH 1 84.31 91.56 51.11 0.00 0.00
137
+ ATOM 137 C PTH 1 84.31 92.56 48.11 0.00 0.00
138
+ ATOM 138 C PTH 1 84.31 92.56 49.11 0.00 0.00
139
+ ATOM 139 C PTH 1 84.31 92.56 50.11 0.00 0.00
140
+ ATOM 140 C PTH 1 84.31 92.56 51.11 0.00 0.00
141
+ ATOM 141 C PTH 1 84.31 93.56 49.11 0.00 0.00
142
+ ATOM 142 C PTH 1 84.31 93.56 50.11 0.00 0.00
143
+ ATOM 143 C PTH 1 84.31 95.56 47.11 0.00 0.00
144
+ ATOM 144 C PTH 1 84.31 95.56 48.11 0.00 0.00
145
+ ATOM 145 C PTH 1 85.31 89.56 48.11 0.00 0.00
146
+ ATOM 146 C PTH 1 85.31 89.56 49.11 0.00 0.00
147
+ ATOM 147 C PTH 1 85.31 89.56 50.11 0.00 0.00
148
+ ATOM 148 C PTH 1 85.31 90.56 48.11 0.00 0.00
149
+ ATOM 149 C PTH 1 85.31 90.56 49.11 0.00 0.00
150
+ ATOM 150 C PTH 1 85.31 90.56 50.11 0.00 0.00
151
+ ATOM 151 C PTH 1 85.31 91.56 50.11 0.00 0.00
152
+ ATOM 152 C PTH 1 85.31 92.56 50.11 0.00 0.00
153
+ ATOM 153 C PTH 1 85.31 92.56 51.11 0.00 0.00
data/files/A000F/pocket_06.pdb ADDED
@@ -0,0 +1,149 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 95.31 77.56 38.11 0.00 0.00
2
+ ATOM 2 C PTH 1 95.31 77.56 39.11 0.00 0.00
3
+ ATOM 3 C PTH 1 95.31 78.56 38.11 0.00 0.00
4
+ ATOM 4 C PTH 1 95.31 78.56 39.11 0.00 0.00
5
+ ATOM 5 C PTH 1 95.31 78.56 40.11 0.00 0.00
6
+ ATOM 6 C PTH 1 95.31 79.56 38.11 0.00 0.00
7
+ ATOM 7 C PTH 1 95.31 79.56 39.11 0.00 0.00
8
+ ATOM 8 C PTH 1 95.31 79.56 40.11 0.00 0.00
9
+ ATOM 9 C PTH 1 95.31 80.56 38.11 0.00 0.00
10
+ ATOM 10 C PTH 1 95.31 80.56 39.11 0.00 0.00
11
+ ATOM 11 C PTH 1 95.31 80.56 40.11 0.00 0.00
12
+ ATOM 12 C PTH 1 95.31 80.56 41.11 0.00 0.00
13
+ ATOM 13 C PTH 1 95.31 81.56 38.11 0.00 0.00
14
+ ATOM 14 C PTH 1 95.31 81.56 39.11 0.00 0.00
15
+ ATOM 15 C PTH 1 95.31 81.56 40.11 0.00 0.00
16
+ ATOM 16 C PTH 1 95.31 81.56 41.11 0.00 0.00
17
+ ATOM 17 C PTH 1 96.31 76.56 38.11 0.00 0.00
18
+ ATOM 18 C PTH 1 96.31 77.56 38.11 0.00 0.00
19
+ ATOM 19 C PTH 1 96.31 77.56 39.11 0.00 0.00
20
+ ATOM 20 C PTH 1 96.31 77.56 40.11 0.00 0.00
21
+ ATOM 21 C PTH 1 96.31 78.56 38.11 0.00 0.00
22
+ ATOM 22 C PTH 1 96.31 78.56 39.11 0.00 0.00
23
+ ATOM 23 C PTH 1 96.31 78.56 40.11 0.00 0.00
24
+ ATOM 24 C PTH 1 96.31 78.56 41.11 0.00 0.00
25
+ ATOM 25 C PTH 1 96.31 79.56 38.11 0.00 0.00
26
+ ATOM 26 C PTH 1 96.31 79.56 39.11 0.00 0.00
27
+ ATOM 27 C PTH 1 96.31 79.56 40.11 0.00 0.00
28
+ ATOM 28 C PTH 1 96.31 79.56 41.11 0.00 0.00
29
+ ATOM 29 C PTH 1 96.31 80.56 38.11 0.00 0.00
30
+ ATOM 30 C PTH 1 96.31 80.56 39.11 0.00 0.00
31
+ ATOM 31 C PTH 1 96.31 80.56 40.11 0.00 0.00
32
+ ATOM 32 C PTH 1 96.31 80.56 41.11 0.00 0.00
33
+ ATOM 33 C PTH 1 96.31 81.56 39.11 0.00 0.00
34
+ ATOM 34 C PTH 1 96.31 81.56 40.11 0.00 0.00
35
+ ATOM 35 C PTH 1 96.31 81.56 41.11 0.00 0.00
36
+ ATOM 36 C PTH 1 96.31 81.56 42.11 0.00 0.00
37
+ ATOM 37 C PTH 1 97.31 74.56 38.11 0.00 0.00
38
+ ATOM 38 C PTH 1 97.31 75.56 37.11 0.00 0.00
39
+ ATOM 39 C PTH 1 97.31 75.56 38.11 0.00 0.00
40
+ ATOM 40 C PTH 1 97.31 75.56 39.11 0.00 0.00
41
+ ATOM 41 C PTH 1 97.31 76.56 37.11 0.00 0.00
42
+ ATOM 42 C PTH 1 97.31 76.56 38.11 0.00 0.00
43
+ ATOM 43 C PTH 1 97.31 76.56 39.11 0.00 0.00
44
+ ATOM 44 C PTH 1 97.31 77.56 37.11 0.00 0.00
45
+ ATOM 45 C PTH 1 97.31 77.56 38.11 0.00 0.00
46
+ ATOM 46 C PTH 1 97.31 77.56 39.11 0.00 0.00
47
+ ATOM 47 C PTH 1 97.31 77.56 40.11 0.00 0.00
48
+ ATOM 48 C PTH 1 97.31 77.56 41.11 0.00 0.00
49
+ ATOM 49 C PTH 1 97.31 78.56 38.11 0.00 0.00
50
+ ATOM 50 C PTH 1 97.31 78.56 39.11 0.00 0.00
51
+ ATOM 51 C PTH 1 97.31 78.56 40.11 0.00 0.00
52
+ ATOM 52 C PTH 1 97.31 78.56 41.11 0.00 0.00
53
+ ATOM 53 C PTH 1 97.31 79.56 38.11 0.00 0.00
54
+ ATOM 54 C PTH 1 97.31 79.56 39.11 0.00 0.00
55
+ ATOM 55 C PTH 1 97.31 79.56 40.11 0.00 0.00
56
+ ATOM 56 C PTH 1 97.31 79.56 41.11 0.00 0.00
57
+ ATOM 57 C PTH 1 97.31 80.56 39.11 0.00 0.00
58
+ ATOM 58 C PTH 1 97.31 80.56 40.11 0.00 0.00
59
+ ATOM 59 C PTH 1 97.31 80.56 41.11 0.00 0.00
60
+ ATOM 60 C PTH 1 97.31 81.56 39.11 0.00 0.00
61
+ ATOM 61 C PTH 1 97.31 81.56 40.11 0.00 0.00
62
+ ATOM 62 C PTH 1 97.31 81.56 41.11 0.00 0.00
63
+ ATOM 63 C PTH 1 97.31 81.56 42.11 0.00 0.00
64
+ ATOM 64 C PTH 1 98.31 74.56 37.11 0.00 0.00
65
+ ATOM 65 C PTH 1 98.31 74.56 38.11 0.00 0.00
66
+ ATOM 66 C PTH 1 98.31 75.56 37.11 0.00 0.00
67
+ ATOM 67 C PTH 1 98.31 75.56 38.11 0.00 0.00
68
+ ATOM 68 C PTH 1 98.31 75.56 39.11 0.00 0.00
69
+ ATOM 69 C PTH 1 98.31 76.56 37.11 0.00 0.00
70
+ ATOM 70 C PTH 1 98.31 76.56 38.11 0.00 0.00
71
+ ATOM 71 C PTH 1 98.31 76.56 39.11 0.00 0.00
72
+ ATOM 72 C PTH 1 98.31 77.56 37.11 0.00 0.00
73
+ ATOM 73 C PTH 1 98.31 77.56 38.11 0.00 0.00
74
+ ATOM 74 C PTH 1 98.31 77.56 39.11 0.00 0.00
75
+ ATOM 75 C PTH 1 98.31 77.56 40.11 0.00 0.00
76
+ ATOM 76 C PTH 1 98.31 77.56 41.11 0.00 0.00
77
+ ATOM 77 C PTH 1 98.31 78.56 37.11 0.00 0.00
78
+ ATOM 78 C PTH 1 98.31 78.56 38.11 0.00 0.00
79
+ ATOM 79 C PTH 1 98.31 78.56 39.11 0.00 0.00
80
+ ATOM 80 C PTH 1 98.31 78.56 40.11 0.00 0.00
81
+ ATOM 81 C PTH 1 98.31 78.56 41.11 0.00 0.00
82
+ ATOM 82 C PTH 1 98.31 79.56 38.11 0.00 0.00
83
+ ATOM 83 C PTH 1 98.31 79.56 39.11 0.00 0.00
84
+ ATOM 84 C PTH 1 98.31 79.56 40.11 0.00 0.00
85
+ ATOM 85 C PTH 1 98.31 79.56 41.11 0.00 0.00
86
+ ATOM 86 C PTH 1 98.31 80.56 39.11 0.00 0.00
87
+ ATOM 87 C PTH 1 98.31 80.56 40.11 0.00 0.00
88
+ ATOM 88 C PTH 1 98.31 80.56 41.11 0.00 0.00
89
+ ATOM 89 C PTH 1 98.31 81.56 40.11 0.00 0.00
90
+ ATOM 90 C PTH 1 98.31 81.56 41.11 0.00 0.00
91
+ ATOM 91 C PTH 1 98.31 81.56 42.11 0.00 0.00
92
+ ATOM 92 C PTH 1 99.31 74.56 37.11 0.00 0.00
93
+ ATOM 93 C PTH 1 99.31 74.56 38.11 0.00 0.00
94
+ ATOM 94 C PTH 1 99.31 75.56 37.11 0.00 0.00
95
+ ATOM 95 C PTH 1 99.31 75.56 38.11 0.00 0.00
96
+ ATOM 96 C PTH 1 99.31 75.56 39.11 0.00 0.00
97
+ ATOM 97 C PTH 1 99.31 76.56 37.11 0.00 0.00
98
+ ATOM 98 C PTH 1 99.31 76.56 38.11 0.00 0.00
99
+ ATOM 99 C PTH 1 99.31 76.56 39.11 0.00 0.00
100
+ ATOM 100 C PTH 1 99.31 77.56 37.11 0.00 0.00
101
+ ATOM 101 C PTH 1 99.31 77.56 38.11 0.00 0.00
102
+ ATOM 102 C PTH 1 99.31 77.56 39.11 0.00 0.00
103
+ ATOM 103 C PTH 1 99.31 77.56 40.11 0.00 0.00
104
+ ATOM 104 C PTH 1 99.31 77.56 41.11 0.00 0.00
105
+ ATOM 105 C PTH 1 99.31 78.56 38.11 0.00 0.00
106
+ ATOM 106 C PTH 1 99.31 78.56 39.11 0.00 0.00
107
+ ATOM 107 C PTH 1 99.31 78.56 40.11 0.00 0.00
108
+ ATOM 108 C PTH 1 99.31 78.56 41.11 0.00 0.00
109
+ ATOM 109 C PTH 1 99.31 79.56 38.11 0.00 0.00
110
+ ATOM 110 C PTH 1 99.31 79.56 39.11 0.00 0.00
111
+ ATOM 111 C PTH 1 99.31 79.56 40.11 0.00 0.00
112
+ ATOM 112 C PTH 1 99.31 79.56 41.11 0.00 0.00
113
+ ATOM 113 C PTH 1 99.31 80.56 39.11 0.00 0.00
114
+ ATOM 114 C PTH 1 99.31 80.56 40.11 0.00 0.00
115
+ ATOM 115 C PTH 1 99.31 80.56 41.11 0.00 0.00
116
+ ATOM 116 C PTH 1 99.31 81.56 41.11 0.00 0.00
117
+ ATOM 117 C PTH 1 99.31 81.56 42.11 0.00 0.00
118
+ ATOM 118 C PTH 1 100.31 75.56 38.11 0.00 0.00
119
+ ATOM 119 C PTH 1 100.31 75.56 39.11 0.00 0.00
120
+ ATOM 120 C PTH 1 100.31 76.56 37.11 0.00 0.00
121
+ ATOM 121 C PTH 1 100.31 76.56 38.11 0.00 0.00
122
+ ATOM 122 C PTH 1 100.31 76.56 39.11 0.00 0.00
123
+ ATOM 123 C PTH 1 100.31 77.56 37.11 0.00 0.00
124
+ ATOM 124 C PTH 1 100.31 77.56 38.11 0.00 0.00
125
+ ATOM 125 C PTH 1 100.31 77.56 39.11 0.00 0.00
126
+ ATOM 126 C PTH 1 100.31 77.56 40.11 0.00 0.00
127
+ ATOM 127 C PTH 1 100.31 77.56 41.11 0.00 0.00
128
+ ATOM 128 C PTH 1 100.31 78.56 38.11 0.00 0.00
129
+ ATOM 129 C PTH 1 100.31 78.56 39.11 0.00 0.00
130
+ ATOM 130 C PTH 1 100.31 78.56 40.11 0.00 0.00
131
+ ATOM 131 C PTH 1 100.31 78.56 41.11 0.00 0.00
132
+ ATOM 132 C PTH 1 100.31 79.56 38.11 0.00 0.00
133
+ ATOM 133 C PTH 1 100.31 79.56 39.11 0.00 0.00
134
+ ATOM 134 C PTH 1 100.31 79.56 40.11 0.00 0.00
135
+ ATOM 135 C PTH 1 100.31 79.56 41.11 0.00 0.00
136
+ ATOM 136 C PTH 1 100.31 80.56 40.11 0.00 0.00
137
+ ATOM 137 C PTH 1 100.31 80.56 41.11 0.00 0.00
138
+ ATOM 138 C PTH 1 100.31 81.56 41.11 0.00 0.00
139
+ ATOM 139 C PTH 1 100.31 81.56 42.11 0.00 0.00
140
+ ATOM 140 C PTH 1 101.31 76.56 39.11 0.00 0.00
141
+ ATOM 141 C PTH 1 101.31 77.56 39.11 0.00 0.00
142
+ ATOM 142 C PTH 1 101.31 77.56 40.11 0.00 0.00
143
+ ATOM 143 C PTH 1 101.31 78.56 38.11 0.00 0.00
144
+ ATOM 144 C PTH 1 101.31 78.56 39.11 0.00 0.00
145
+ ATOM 145 C PTH 1 101.31 78.56 40.11 0.00 0.00
146
+ ATOM 146 C PTH 1 101.31 79.56 39.11 0.00 0.00
147
+ ATOM 147 C PTH 1 101.31 79.56 40.11 0.00 0.00
148
+ ATOM 148 C PTH 1 101.31 80.56 40.11 0.00 0.00
149
+ ATOM 149 C PTH 1 101.31 80.56 41.11 0.00 0.00
data/files/A000F/pocket_07.pdb ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 98.31 86.56 29.11 0.00 0.00
2
+ ATOM 2 C PTH 1 98.31 86.56 30.11 0.00 0.00
3
+ ATOM 3 C PTH 1 98.31 86.56 31.11 0.00 0.00
4
+ ATOM 4 C PTH 1 98.31 87.56 28.11 0.00 0.00
5
+ ATOM 5 C PTH 1 98.31 87.56 29.11 0.00 0.00
6
+ ATOM 6 C PTH 1 98.31 87.56 30.11 0.00 0.00
7
+ ATOM 7 C PTH 1 98.31 87.56 31.11 0.00 0.00
8
+ ATOM 8 C PTH 1 98.31 88.56 28.11 0.00 0.00
9
+ ATOM 9 C PTH 1 98.31 88.56 29.11 0.00 0.00
10
+ ATOM 10 C PTH 1 98.31 88.56 30.11 0.00 0.00
11
+ ATOM 11 C PTH 1 98.31 88.56 31.11 0.00 0.00
12
+ ATOM 12 C PTH 1 98.31 89.56 28.11 0.00 0.00
13
+ ATOM 13 C PTH 1 98.31 89.56 29.11 0.00 0.00
14
+ ATOM 14 C PTH 1 98.31 89.56 30.11 0.00 0.00
15
+ ATOM 15 C PTH 1 98.31 89.56 31.11 0.00 0.00
16
+ ATOM 16 C PTH 1 98.31 90.56 28.11 0.00 0.00
17
+ ATOM 17 C PTH 1 98.31 90.56 29.11 0.00 0.00
18
+ ATOM 18 C PTH 1 98.31 90.56 30.11 0.00 0.00
19
+ ATOM 19 C PTH 1 99.31 84.56 31.11 0.00 0.00
20
+ ATOM 20 C PTH 1 99.31 85.56 29.11 0.00 0.00
21
+ ATOM 21 C PTH 1 99.31 85.56 30.11 0.00 0.00
22
+ ATOM 22 C PTH 1 99.31 85.56 31.11 0.00 0.00
23
+ ATOM 23 C PTH 1 99.31 85.56 32.11 0.00 0.00
24
+ ATOM 24 C PTH 1 99.31 86.56 28.11 0.00 0.00
25
+ ATOM 25 C PTH 1 99.31 86.56 29.11 0.00 0.00
26
+ ATOM 26 C PTH 1 99.31 86.56 30.11 0.00 0.00
27
+ ATOM 27 C PTH 1 99.31 86.56 31.11 0.00 0.00
28
+ ATOM 28 C PTH 1 99.31 86.56 32.11 0.00 0.00
29
+ ATOM 29 C PTH 1 99.31 87.56 28.11 0.00 0.00
30
+ ATOM 30 C PTH 1 99.31 87.56 29.11 0.00 0.00
31
+ ATOM 31 C PTH 1 99.31 87.56 30.11 0.00 0.00
32
+ ATOM 32 C PTH 1 99.31 87.56 31.11 0.00 0.00
33
+ ATOM 33 C PTH 1 99.31 88.56 28.11 0.00 0.00
34
+ ATOM 34 C PTH 1 99.31 88.56 29.11 0.00 0.00
35
+ ATOM 35 C PTH 1 99.31 88.56 30.11 0.00 0.00
36
+ ATOM 36 C PTH 1 99.31 88.56 31.11 0.00 0.00
37
+ ATOM 37 C PTH 1 99.31 89.56 28.11 0.00 0.00
38
+ ATOM 38 C PTH 1 99.31 89.56 29.11 0.00 0.00
39
+ ATOM 39 C PTH 1 99.31 89.56 30.11 0.00 0.00
40
+ ATOM 40 C PTH 1 99.31 89.56 31.11 0.00 0.00
41
+ ATOM 41 C PTH 1 99.31 90.56 28.11 0.00 0.00
42
+ ATOM 42 C PTH 1 99.31 90.56 29.11 0.00 0.00
43
+ ATOM 43 C PTH 1 99.31 90.56 30.11 0.00 0.00
44
+ ATOM 44 C PTH 1 99.31 90.56 31.11 0.00 0.00
45
+ ATOM 45 C PTH 1 99.31 91.56 29.11 0.00 0.00
46
+ ATOM 46 C PTH 1 99.31 91.56 30.11 0.00 0.00
47
+ ATOM 47 C PTH 1 100.31 84.56 29.11 0.00 0.00
48
+ ATOM 48 C PTH 1 100.31 84.56 30.11 0.00 0.00
49
+ ATOM 49 C PTH 1 100.31 84.56 31.11 0.00 0.00
50
+ ATOM 50 C PTH 1 100.31 84.56 32.11 0.00 0.00
51
+ ATOM 51 C PTH 1 100.31 85.56 28.11 0.00 0.00
52
+ ATOM 52 C PTH 1 100.31 85.56 29.11 0.00 0.00
53
+ ATOM 53 C PTH 1 100.31 85.56 30.11 0.00 0.00
54
+ ATOM 54 C PTH 1 100.31 85.56 31.11 0.00 0.00
55
+ ATOM 55 C PTH 1 100.31 85.56 32.11 0.00 0.00
56
+ ATOM 56 C PTH 1 100.31 86.56 28.11 0.00 0.00
57
+ ATOM 57 C PTH 1 100.31 86.56 29.11 0.00 0.00
58
+ ATOM 58 C PTH 1 100.31 86.56 30.11 0.00 0.00
59
+ ATOM 59 C PTH 1 100.31 86.56 31.11 0.00 0.00
60
+ ATOM 60 C PTH 1 100.31 86.56 32.11 0.00 0.00
61
+ ATOM 61 C PTH 1 100.31 87.56 28.11 0.00 0.00
62
+ ATOM 62 C PTH 1 100.31 87.56 29.11 0.00 0.00
63
+ ATOM 63 C PTH 1 100.31 87.56 30.11 0.00 0.00
64
+ ATOM 64 C PTH 1 100.31 87.56 31.11 0.00 0.00
65
+ ATOM 65 C PTH 1 100.31 88.56 28.11 0.00 0.00
66
+ ATOM 66 C PTH 1 100.31 88.56 29.11 0.00 0.00
67
+ ATOM 67 C PTH 1 100.31 88.56 30.11 0.00 0.00
68
+ ATOM 68 C PTH 1 100.31 88.56 31.11 0.00 0.00
69
+ ATOM 69 C PTH 1 100.31 89.56 28.11 0.00 0.00
70
+ ATOM 70 C PTH 1 100.31 89.56 29.11 0.00 0.00
71
+ ATOM 71 C PTH 1 100.31 89.56 30.11 0.00 0.00
72
+ ATOM 72 C PTH 1 100.31 89.56 31.11 0.00 0.00
73
+ ATOM 73 C PTH 1 100.31 90.56 28.11 0.00 0.00
74
+ ATOM 74 C PTH 1 100.31 90.56 29.11 0.00 0.00
75
+ ATOM 75 C PTH 1 100.31 90.56 30.11 0.00 0.00
76
+ ATOM 76 C PTH 1 100.31 90.56 31.11 0.00 0.00
77
+ ATOM 77 C PTH 1 100.31 91.56 29.11 0.00 0.00
78
+ ATOM 78 C PTH 1 100.31 91.56 30.11 0.00 0.00
79
+ ATOM 79 C PTH 1 100.31 91.56 31.11 0.00 0.00
80
+ ATOM 80 C PTH 1 101.31 84.56 29.11 0.00 0.00
81
+ ATOM 81 C PTH 1 101.31 84.56 30.11 0.00 0.00
82
+ ATOM 82 C PTH 1 101.31 84.56 31.11 0.00 0.00
83
+ ATOM 83 C PTH 1 101.31 84.56 32.11 0.00 0.00
84
+ ATOM 84 C PTH 1 101.31 85.56 28.11 0.00 0.00
85
+ ATOM 85 C PTH 1 101.31 85.56 29.11 0.00 0.00
86
+ ATOM 86 C PTH 1 101.31 85.56 30.11 0.00 0.00
87
+ ATOM 87 C PTH 1 101.31 85.56 31.11 0.00 0.00
88
+ ATOM 88 C PTH 1 101.31 85.56 32.11 0.00 0.00
89
+ ATOM 89 C PTH 1 101.31 86.56 28.11 0.00 0.00
90
+ ATOM 90 C PTH 1 101.31 86.56 29.11 0.00 0.00
91
+ ATOM 91 C PTH 1 101.31 86.56 30.11 0.00 0.00
92
+ ATOM 92 C PTH 1 101.31 86.56 31.11 0.00 0.00
93
+ ATOM 93 C PTH 1 101.31 87.56 28.11 0.00 0.00
94
+ ATOM 94 C PTH 1 101.31 87.56 29.11 0.00 0.00
95
+ ATOM 95 C PTH 1 101.31 87.56 30.11 0.00 0.00
96
+ ATOM 96 C PTH 1 101.31 87.56 31.11 0.00 0.00
97
+ ATOM 97 C PTH 1 101.31 88.56 28.11 0.00 0.00
98
+ ATOM 98 C PTH 1 101.31 88.56 29.11 0.00 0.00
99
+ ATOM 99 C PTH 1 101.31 88.56 30.11 0.00 0.00
100
+ ATOM 100 C PTH 1 101.31 88.56 31.11 0.00 0.00
101
+ ATOM 101 C PTH 1 101.31 89.56 28.11 0.00 0.00
102
+ ATOM 102 C PTH 1 101.31 89.56 29.11 0.00 0.00
103
+ ATOM 103 C PTH 1 101.31 89.56 30.11 0.00 0.00
104
+ ATOM 104 C PTH 1 101.31 89.56 31.11 0.00 0.00
105
+ ATOM 105 C PTH 1 101.31 90.56 29.11 0.00 0.00
106
+ ATOM 106 C PTH 1 101.31 90.56 30.11 0.00 0.00
107
+ ATOM 107 C PTH 1 101.31 91.56 30.11 0.00 0.00
108
+ ATOM 108 C PTH 1 102.31 85.56 29.11 0.00 0.00
109
+ ATOM 109 C PTH 1 102.31 85.56 30.11 0.00 0.00
110
+ ATOM 110 C PTH 1 102.31 85.56 31.11 0.00 0.00
111
+ ATOM 111 C PTH 1 102.31 86.56 28.11 0.00 0.00
112
+ ATOM 112 C PTH 1 102.31 86.56 29.11 0.00 0.00
113
+ ATOM 113 C PTH 1 102.31 86.56 30.11 0.00 0.00
114
+ ATOM 114 C PTH 1 102.31 86.56 31.11 0.00 0.00
115
+ ATOM 115 C PTH 1 102.31 87.56 28.11 0.00 0.00
116
+ ATOM 116 C PTH 1 102.31 87.56 29.11 0.00 0.00
117
+ ATOM 117 C PTH 1 102.31 87.56 30.11 0.00 0.00
118
+ ATOM 118 C PTH 1 102.31 87.56 31.11 0.00 0.00
119
+ ATOM 119 C PTH 1 102.31 88.56 28.11 0.00 0.00
120
+ ATOM 120 C PTH 1 102.31 88.56 29.11 0.00 0.00
121
+ ATOM 121 C PTH 1 102.31 88.56 30.11 0.00 0.00
122
+ ATOM 122 C PTH 1 102.31 88.56 31.11 0.00 0.00
123
+ ATOM 123 C PTH 1 102.31 89.56 29.11 0.00 0.00
124
+ ATOM 124 C PTH 1 102.31 89.56 30.11 0.00 0.00
125
+ ATOM 125 C PTH 1 102.31 89.56 31.11 0.00 0.00
data/files/A000F/pocket_08.pdb ADDED
@@ -0,0 +1,122 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 80.31 81.56 58.11 0.00 0.00
2
+ ATOM 2 C PTH 1 80.31 81.56 59.11 0.00 0.00
3
+ ATOM 3 C PTH 1 80.31 82.56 57.11 0.00 0.00
4
+ ATOM 4 C PTH 1 80.31 82.56 58.11 0.00 0.00
5
+ ATOM 5 C PTH 1 80.31 82.56 59.11 0.00 0.00
6
+ ATOM 6 C PTH 1 80.31 82.56 60.11 0.00 0.00
7
+ ATOM 7 C PTH 1 80.31 83.56 57.11 0.00 0.00
8
+ ATOM 8 C PTH 1 80.31 83.56 58.11 0.00 0.00
9
+ ATOM 9 C PTH 1 80.31 83.56 59.11 0.00 0.00
10
+ ATOM 10 C PTH 1 81.31 81.56 57.11 0.00 0.00
11
+ ATOM 11 C PTH 1 81.31 81.56 58.11 0.00 0.00
12
+ ATOM 12 C PTH 1 81.31 81.56 59.11 0.00 0.00
13
+ ATOM 13 C PTH 1 81.31 81.56 60.11 0.00 0.00
14
+ ATOM 14 C PTH 1 81.31 82.56 57.11 0.00 0.00
15
+ ATOM 15 C PTH 1 81.31 82.56 58.11 0.00 0.00
16
+ ATOM 16 C PTH 1 81.31 82.56 59.11 0.00 0.00
17
+ ATOM 17 C PTH 1 81.31 82.56 60.11 0.00 0.00
18
+ ATOM 18 C PTH 1 81.31 83.56 57.11 0.00 0.00
19
+ ATOM 19 C PTH 1 81.31 83.56 58.11 0.00 0.00
20
+ ATOM 20 C PTH 1 81.31 83.56 59.11 0.00 0.00
21
+ ATOM 21 C PTH 1 81.31 83.56 60.11 0.00 0.00
22
+ ATOM 22 C PTH 1 81.31 84.56 57.11 0.00 0.00
23
+ ATOM 23 C PTH 1 81.31 84.56 58.11 0.00 0.00
24
+ ATOM 24 C PTH 1 81.31 84.56 59.11 0.00 0.00
25
+ ATOM 25 C PTH 1 81.31 84.56 60.11 0.00 0.00
26
+ ATOM 26 C PTH 1 82.31 81.56 57.11 0.00 0.00
27
+ ATOM 27 C PTH 1 82.31 81.56 58.11 0.00 0.00
28
+ ATOM 28 C PTH 1 82.31 81.56 59.11 0.00 0.00
29
+ ATOM 29 C PTH 1 82.31 81.56 60.11 0.00 0.00
30
+ ATOM 30 C PTH 1 82.31 82.56 57.11 0.00 0.00
31
+ ATOM 31 C PTH 1 82.31 82.56 58.11 0.00 0.00
32
+ ATOM 32 C PTH 1 82.31 82.56 59.11 0.00 0.00
33
+ ATOM 33 C PTH 1 82.31 82.56 60.11 0.00 0.00
34
+ ATOM 34 C PTH 1 82.31 82.56 61.11 0.00 0.00
35
+ ATOM 35 C PTH 1 82.31 83.56 57.11 0.00 0.00
36
+ ATOM 36 C PTH 1 82.31 83.56 58.11 0.00 0.00
37
+ ATOM 37 C PTH 1 82.31 83.56 59.11 0.00 0.00
38
+ ATOM 38 C PTH 1 82.31 83.56 60.11 0.00 0.00
39
+ ATOM 39 C PTH 1 82.31 83.56 61.11 0.00 0.00
40
+ ATOM 40 C PTH 1 82.31 84.56 57.11 0.00 0.00
41
+ ATOM 41 C PTH 1 82.31 84.56 58.11 0.00 0.00
42
+ ATOM 42 C PTH 1 82.31 84.56 59.11 0.00 0.00
43
+ ATOM 43 C PTH 1 82.31 84.56 60.11 0.00 0.00
44
+ ATOM 44 C PTH 1 83.31 81.56 57.11 0.00 0.00
45
+ ATOM 45 C PTH 1 83.31 81.56 58.11 0.00 0.00
46
+ ATOM 46 C PTH 1 83.31 81.56 59.11 0.00 0.00
47
+ ATOM 47 C PTH 1 83.31 81.56 60.11 0.00 0.00
48
+ ATOM 48 C PTH 1 83.31 81.56 61.11 0.00 0.00
49
+ ATOM 49 C PTH 1 83.31 82.56 57.11 0.00 0.00
50
+ ATOM 50 C PTH 1 83.31 82.56 58.11 0.00 0.00
51
+ ATOM 51 C PTH 1 83.31 82.56 59.11 0.00 0.00
52
+ ATOM 52 C PTH 1 83.31 82.56 60.11 0.00 0.00
53
+ ATOM 53 C PTH 1 83.31 82.56 61.11 0.00 0.00
54
+ ATOM 54 C PTH 1 83.31 83.56 57.11 0.00 0.00
55
+ ATOM 55 C PTH 1 83.31 83.56 58.11 0.00 0.00
56
+ ATOM 56 C PTH 1 83.31 83.56 59.11 0.00 0.00
57
+ ATOM 57 C PTH 1 83.31 83.56 60.11 0.00 0.00
58
+ ATOM 58 C PTH 1 83.31 83.56 61.11 0.00 0.00
59
+ ATOM 59 C PTH 1 83.31 84.56 57.11 0.00 0.00
60
+ ATOM 60 C PTH 1 83.31 84.56 58.11 0.00 0.00
61
+ ATOM 61 C PTH 1 83.31 84.56 59.11 0.00 0.00
62
+ ATOM 62 C PTH 1 83.31 84.56 60.11 0.00 0.00
63
+ ATOM 63 C PTH 1 83.31 84.56 61.11 0.00 0.00
64
+ ATOM 64 C PTH 1 83.31 85.56 58.11 0.00 0.00
65
+ ATOM 65 C PTH 1 83.31 85.56 59.11 0.00 0.00
66
+ ATOM 66 C PTH 1 83.31 85.56 60.11 0.00 0.00
67
+ ATOM 67 C PTH 1 84.31 81.56 57.11 0.00 0.00
68
+ ATOM 68 C PTH 1 84.31 81.56 58.11 0.00 0.00
69
+ ATOM 69 C PTH 1 84.31 81.56 59.11 0.00 0.00
70
+ ATOM 70 C PTH 1 84.31 81.56 60.11 0.00 0.00
71
+ ATOM 71 C PTH 1 84.31 81.56 61.11 0.00 0.00
72
+ ATOM 72 C PTH 1 84.31 82.56 57.11 0.00 0.00
73
+ ATOM 73 C PTH 1 84.31 82.56 58.11 0.00 0.00
74
+ ATOM 74 C PTH 1 84.31 82.56 59.11 0.00 0.00
75
+ ATOM 75 C PTH 1 84.31 82.56 60.11 0.00 0.00
76
+ ATOM 76 C PTH 1 84.31 82.56 61.11 0.00 0.00
77
+ ATOM 77 C PTH 1 84.31 83.56 57.11 0.00 0.00
78
+ ATOM 78 C PTH 1 84.31 83.56 58.11 0.00 0.00
79
+ ATOM 79 C PTH 1 84.31 83.56 59.11 0.00 0.00
80
+ ATOM 80 C PTH 1 84.31 83.56 60.11 0.00 0.00
81
+ ATOM 81 C PTH 1 84.31 83.56 61.11 0.00 0.00
82
+ ATOM 82 C PTH 1 84.31 83.56 62.11 0.00 0.00
83
+ ATOM 83 C PTH 1 84.31 84.56 57.11 0.00 0.00
84
+ ATOM 84 C PTH 1 84.31 84.56 58.11 0.00 0.00
85
+ ATOM 85 C PTH 1 84.31 84.56 59.11 0.00 0.00
86
+ ATOM 86 C PTH 1 84.31 84.56 60.11 0.00 0.00
87
+ ATOM 87 C PTH 1 84.31 84.56 61.11 0.00 0.00
88
+ ATOM 88 C PTH 1 84.31 85.56 58.11 0.00 0.00
89
+ ATOM 89 C PTH 1 84.31 85.56 59.11 0.00 0.00
90
+ ATOM 90 C PTH 1 84.31 85.56 60.11 0.00 0.00
91
+ ATOM 91 C PTH 1 85.31 81.56 58.11 0.00 0.00
92
+ ATOM 92 C PTH 1 85.31 81.56 59.11 0.00 0.00
93
+ ATOM 93 C PTH 1 85.31 81.56 60.11 0.00 0.00
94
+ ATOM 94 C PTH 1 85.31 81.56 61.11 0.00 0.00
95
+ ATOM 95 C PTH 1 85.31 82.56 58.11 0.00 0.00
96
+ ATOM 96 C PTH 1 85.31 82.56 59.11 0.00 0.00
97
+ ATOM 97 C PTH 1 85.31 82.56 60.11 0.00 0.00
98
+ ATOM 98 C PTH 1 85.31 82.56 61.11 0.00 0.00
99
+ ATOM 99 C PTH 1 85.31 83.56 58.11 0.00 0.00
100
+ ATOM 100 C PTH 1 85.31 83.56 59.11 0.00 0.00
101
+ ATOM 101 C PTH 1 85.31 83.56 60.11 0.00 0.00
102
+ ATOM 102 C PTH 1 85.31 83.56 61.11 0.00 0.00
103
+ ATOM 103 C PTH 1 85.31 83.56 62.11 0.00 0.00
104
+ ATOM 104 C PTH 1 85.31 84.56 58.11 0.00 0.00
105
+ ATOM 105 C PTH 1 85.31 84.56 59.11 0.00 0.00
106
+ ATOM 106 C PTH 1 85.31 84.56 60.11 0.00 0.00
107
+ ATOM 107 C PTH 1 85.31 84.56 61.11 0.00 0.00
108
+ ATOM 108 C PTH 1 85.31 85.56 60.11 0.00 0.00
109
+ ATOM 109 C PTH 1 85.31 85.56 61.11 0.00 0.00
110
+ ATOM 110 C PTH 1 86.31 81.56 60.11 0.00 0.00
111
+ ATOM 111 C PTH 1 86.31 81.56 61.11 0.00 0.00
112
+ ATOM 112 C PTH 1 86.31 82.56 59.11 0.00 0.00
113
+ ATOM 113 C PTH 1 86.31 82.56 60.11 0.00 0.00
114
+ ATOM 114 C PTH 1 86.31 82.56 61.11 0.00 0.00
115
+ ATOM 115 C PTH 1 86.31 83.56 58.11 0.00 0.00
116
+ ATOM 116 C PTH 1 86.31 83.56 59.11 0.00 0.00
117
+ ATOM 117 C PTH 1 86.31 83.56 60.11 0.00 0.00
118
+ ATOM 118 C PTH 1 86.31 83.56 61.11 0.00 0.00
119
+ ATOM 119 C PTH 1 86.31 84.56 58.11 0.00 0.00
120
+ ATOM 120 C PTH 1 86.31 84.56 59.11 0.00 0.00
121
+ ATOM 121 C PTH 1 86.31 84.56 60.11 0.00 0.00
122
+ ATOM 122 C PTH 1 86.31 84.56 61.11 0.00 0.00
data/files/A000F/pocket_09.pdb ADDED
@@ -0,0 +1,114 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 84.31 54.56 42.11 0.00 0.00
2
+ ATOM 2 C PTH 1 84.31 54.56 43.11 0.00 0.00
3
+ ATOM 3 C PTH 1 84.31 55.56 41.11 0.00 0.00
4
+ ATOM 4 C PTH 1 84.31 55.56 42.11 0.00 0.00
5
+ ATOM 5 C PTH 1 84.31 55.56 43.11 0.00 0.00
6
+ ATOM 6 C PTH 1 84.31 56.56 41.11 0.00 0.00
7
+ ATOM 7 C PTH 1 84.31 56.56 42.11 0.00 0.00
8
+ ATOM 8 C PTH 1 84.31 56.56 43.11 0.00 0.00
9
+ ATOM 9 C PTH 1 85.31 53.56 42.11 0.00 0.00
10
+ ATOM 10 C PTH 1 85.31 53.56 43.11 0.00 0.00
11
+ ATOM 11 C PTH 1 85.31 54.56 41.11 0.00 0.00
12
+ ATOM 12 C PTH 1 85.31 54.56 42.11 0.00 0.00
13
+ ATOM 13 C PTH 1 85.31 54.56 43.11 0.00 0.00
14
+ ATOM 14 C PTH 1 85.31 55.56 41.11 0.00 0.00
15
+ ATOM 15 C PTH 1 85.31 55.56 42.11 0.00 0.00
16
+ ATOM 16 C PTH 1 85.31 55.56 43.11 0.00 0.00
17
+ ATOM 17 C PTH 1 85.31 56.56 41.11 0.00 0.00
18
+ ATOM 18 C PTH 1 85.31 56.56 42.11 0.00 0.00
19
+ ATOM 19 C PTH 1 85.31 56.56 43.11 0.00 0.00
20
+ ATOM 20 C PTH 1 85.31 57.56 41.11 0.00 0.00
21
+ ATOM 21 C PTH 1 85.31 57.56 42.11 0.00 0.00
22
+ ATOM 22 C PTH 1 86.31 52.56 43.11 0.00 0.00
23
+ ATOM 23 C PTH 1 86.31 52.56 44.11 0.00 0.00
24
+ ATOM 24 C PTH 1 86.31 53.56 41.11 0.00 0.00
25
+ ATOM 25 C PTH 1 86.31 53.56 42.11 0.00 0.00
26
+ ATOM 26 C PTH 1 86.31 53.56 43.11 0.00 0.00
27
+ ATOM 27 C PTH 1 86.31 53.56 44.11 0.00 0.00
28
+ ATOM 28 C PTH 1 86.31 54.56 41.11 0.00 0.00
29
+ ATOM 29 C PTH 1 86.31 54.56 42.11 0.00 0.00
30
+ ATOM 30 C PTH 1 86.31 54.56 43.11 0.00 0.00
31
+ ATOM 31 C PTH 1 86.31 54.56 44.11 0.00 0.00
32
+ ATOM 32 C PTH 1 86.31 55.56 41.11 0.00 0.00
33
+ ATOM 33 C PTH 1 86.31 55.56 42.11 0.00 0.00
34
+ ATOM 34 C PTH 1 86.31 55.56 43.11 0.00 0.00
35
+ ATOM 35 C PTH 1 86.31 55.56 44.11 0.00 0.00
36
+ ATOM 36 C PTH 1 86.31 56.56 40.11 0.00 0.00
37
+ ATOM 37 C PTH 1 86.31 56.56 41.11 0.00 0.00
38
+ ATOM 38 C PTH 1 86.31 56.56 42.11 0.00 0.00
39
+ ATOM 39 C PTH 1 86.31 56.56 43.11 0.00 0.00
40
+ ATOM 40 C PTH 1 86.31 56.56 44.11 0.00 0.00
41
+ ATOM 41 C PTH 1 86.31 57.56 41.11 0.00 0.00
42
+ ATOM 42 C PTH 1 86.31 57.56 42.11 0.00 0.00
43
+ ATOM 43 C PTH 1 87.31 52.56 42.11 0.00 0.00
44
+ ATOM 44 C PTH 1 87.31 52.56 43.11 0.00 0.00
45
+ ATOM 45 C PTH 1 87.31 52.56 44.11 0.00 0.00
46
+ ATOM 46 C PTH 1 87.31 53.56 41.11 0.00 0.00
47
+ ATOM 47 C PTH 1 87.31 53.56 42.11 0.00 0.00
48
+ ATOM 48 C PTH 1 87.31 53.56 43.11 0.00 0.00
49
+ ATOM 49 C PTH 1 87.31 53.56 44.11 0.00 0.00
50
+ ATOM 50 C PTH 1 87.31 53.56 45.11 0.00 0.00
51
+ ATOM 51 C PTH 1 87.31 54.56 41.11 0.00 0.00
52
+ ATOM 52 C PTH 1 87.31 54.56 42.11 0.00 0.00
53
+ ATOM 53 C PTH 1 87.31 54.56 43.11 0.00 0.00
54
+ ATOM 54 C PTH 1 87.31 54.56 44.11 0.00 0.00
55
+ ATOM 55 C PTH 1 87.31 55.56 40.11 0.00 0.00
56
+ ATOM 56 C PTH 1 87.31 55.56 41.11 0.00 0.00
57
+ ATOM 57 C PTH 1 87.31 55.56 42.11 0.00 0.00
58
+ ATOM 58 C PTH 1 87.31 55.56 43.11 0.00 0.00
59
+ ATOM 59 C PTH 1 87.31 55.56 44.11 0.00 0.00
60
+ ATOM 60 C PTH 1 87.31 56.56 40.11 0.00 0.00
61
+ ATOM 61 C PTH 1 87.31 56.56 41.11 0.00 0.00
62
+ ATOM 62 C PTH 1 87.31 56.56 42.11 0.00 0.00
63
+ ATOM 63 C PTH 1 87.31 56.56 43.11 0.00 0.00
64
+ ATOM 64 C PTH 1 87.31 56.56 44.11 0.00 0.00
65
+ ATOM 65 C PTH 1 87.31 57.56 41.11 0.00 0.00
66
+ ATOM 66 C PTH 1 88.31 52.56 41.11 0.00 0.00
67
+ ATOM 67 C PTH 1 88.31 52.56 42.11 0.00 0.00
68
+ ATOM 68 C PTH 1 88.31 52.56 43.11 0.00 0.00
69
+ ATOM 69 C PTH 1 88.31 52.56 44.11 0.00 0.00
70
+ ATOM 70 C PTH 1 88.31 53.56 41.11 0.00 0.00
71
+ ATOM 71 C PTH 1 88.31 53.56 42.11 0.00 0.00
72
+ ATOM 72 C PTH 1 88.31 53.56 43.11 0.00 0.00
73
+ ATOM 73 C PTH 1 88.31 53.56 44.11 0.00 0.00
74
+ ATOM 74 C PTH 1 88.31 53.56 45.11 0.00 0.00
75
+ ATOM 75 C PTH 1 88.31 54.56 41.11 0.00 0.00
76
+ ATOM 76 C PTH 1 88.31 54.56 42.11 0.00 0.00
77
+ ATOM 77 C PTH 1 88.31 54.56 43.11 0.00 0.00
78
+ ATOM 78 C PTH 1 88.31 54.56 44.11 0.00 0.00
79
+ ATOM 79 C PTH 1 88.31 54.56 45.11 0.00 0.00
80
+ ATOM 80 C PTH 1 88.31 55.56 41.11 0.00 0.00
81
+ ATOM 81 C PTH 1 88.31 55.56 42.11 0.00 0.00
82
+ ATOM 82 C PTH 1 88.31 55.56 43.11 0.00 0.00
83
+ ATOM 83 C PTH 1 88.31 55.56 44.11 0.00 0.00
84
+ ATOM 84 C PTH 1 88.31 55.56 45.11 0.00 0.00
85
+ ATOM 85 C PTH 1 88.31 56.56 41.11 0.00 0.00
86
+ ATOM 86 C PTH 1 88.31 56.56 42.11 0.00 0.00
87
+ ATOM 87 C PTH 1 88.31 56.56 43.11 0.00 0.00
88
+ ATOM 88 C PTH 1 88.31 56.56 44.11 0.00 0.00
89
+ ATOM 89 C PTH 1 89.31 52.56 42.11 0.00 0.00
90
+ ATOM 90 C PTH 1 89.31 52.56 43.11 0.00 0.00
91
+ ATOM 91 C PTH 1 89.31 52.56 44.11 0.00 0.00
92
+ ATOM 92 C PTH 1 89.31 53.56 41.11 0.00 0.00
93
+ ATOM 93 C PTH 1 89.31 53.56 42.11 0.00 0.00
94
+ ATOM 94 C PTH 1 89.31 53.56 43.11 0.00 0.00
95
+ ATOM 95 C PTH 1 89.31 53.56 44.11 0.00 0.00
96
+ ATOM 96 C PTH 1 89.31 53.56 45.11 0.00 0.00
97
+ ATOM 97 C PTH 1 89.31 54.56 41.11 0.00 0.00
98
+ ATOM 98 C PTH 1 89.31 54.56 42.11 0.00 0.00
99
+ ATOM 99 C PTH 1 89.31 54.56 43.11 0.00 0.00
100
+ ATOM 100 C PTH 1 89.31 54.56 44.11 0.00 0.00
101
+ ATOM 101 C PTH 1 89.31 54.56 45.11 0.00 0.00
102
+ ATOM 102 C PTH 1 89.31 55.56 41.11 0.00 0.00
103
+ ATOM 103 C PTH 1 89.31 55.56 42.11 0.00 0.00
104
+ ATOM 104 C PTH 1 89.31 55.56 43.11 0.00 0.00
105
+ ATOM 105 C PTH 1 89.31 55.56 44.11 0.00 0.00
106
+ ATOM 106 C PTH 1 89.31 55.56 45.11 0.00 0.00
107
+ ATOM 107 C PTH 1 89.31 56.56 42.11 0.00 0.00
108
+ ATOM 108 C PTH 1 89.31 56.56 43.11 0.00 0.00
109
+ ATOM 109 C PTH 1 89.31 56.56 44.11 0.00 0.00
110
+ ATOM 110 C PTH 1 89.31 56.56 45.11 0.00 0.00
111
+ ATOM 111 C PTH 1 90.31 53.56 44.11 0.00 0.00
112
+ ATOM 112 C PTH 1 90.31 54.56 44.11 0.00 0.00
113
+ ATOM 113 C PTH 1 90.31 55.56 44.11 0.00 0.00
114
+ ATOM 114 C PTH 1 90.31 55.56 45.11 0.00 0.00
data/files/A000F/pocket_10.pdb ADDED
@@ -0,0 +1,107 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 72.31 70.56 49.11 0.00 0.00
2
+ ATOM 2 C PTH 1 72.31 71.56 49.11 0.00 0.00
3
+ ATOM 3 C PTH 1 73.31 69.56 48.11 0.00 0.00
4
+ ATOM 4 C PTH 1 73.31 69.56 49.11 0.00 0.00
5
+ ATOM 5 C PTH 1 73.31 69.56 50.11 0.00 0.00
6
+ ATOM 6 C PTH 1 73.31 70.56 48.11 0.00 0.00
7
+ ATOM 7 C PTH 1 73.31 70.56 49.11 0.00 0.00
8
+ ATOM 8 C PTH 1 73.31 70.56 50.11 0.00 0.00
9
+ ATOM 9 C PTH 1 73.31 70.56 51.11 0.00 0.00
10
+ ATOM 10 C PTH 1 73.31 71.56 48.11 0.00 0.00
11
+ ATOM 11 C PTH 1 73.31 71.56 49.11 0.00 0.00
12
+ ATOM 12 C PTH 1 73.31 71.56 50.11 0.00 0.00
13
+ ATOM 13 C PTH 1 73.31 71.56 51.11 0.00 0.00
14
+ ATOM 14 C PTH 1 73.31 72.56 48.11 0.00 0.00
15
+ ATOM 15 C PTH 1 73.31 72.56 49.11 0.00 0.00
16
+ ATOM 16 C PTH 1 73.31 72.56 50.11 0.00 0.00
17
+ ATOM 17 C PTH 1 73.31 73.56 49.11 0.00 0.00
18
+ ATOM 18 C PTH 1 73.31 73.56 50.11 0.00 0.00
19
+ ATOM 19 C PTH 1 74.31 69.56 47.11 0.00 0.00
20
+ ATOM 20 C PTH 1 74.31 69.56 48.11 0.00 0.00
21
+ ATOM 21 C PTH 1 74.31 69.56 49.11 0.00 0.00
22
+ ATOM 22 C PTH 1 74.31 69.56 50.11 0.00 0.00
23
+ ATOM 23 C PTH 1 74.31 70.56 47.11 0.00 0.00
24
+ ATOM 24 C PTH 1 74.31 70.56 48.11 0.00 0.00
25
+ ATOM 25 C PTH 1 74.31 70.56 49.11 0.00 0.00
26
+ ATOM 26 C PTH 1 74.31 70.56 50.11 0.00 0.00
27
+ ATOM 27 C PTH 1 74.31 70.56 51.11 0.00 0.00
28
+ ATOM 28 C PTH 1 74.31 71.56 47.11 0.00 0.00
29
+ ATOM 29 C PTH 1 74.31 71.56 48.11 0.00 0.00
30
+ ATOM 30 C PTH 1 74.31 71.56 49.11 0.00 0.00
31
+ ATOM 31 C PTH 1 74.31 71.56 50.11 0.00 0.00
32
+ ATOM 32 C PTH 1 74.31 71.56 51.11 0.00 0.00
33
+ ATOM 33 C PTH 1 74.31 72.56 48.11 0.00 0.00
34
+ ATOM 34 C PTH 1 74.31 72.56 49.11 0.00 0.00
35
+ ATOM 35 C PTH 1 74.31 72.56 50.11 0.00 0.00
36
+ ATOM 36 C PTH 1 74.31 72.56 51.11 0.00 0.00
37
+ ATOM 37 C PTH 1 74.31 73.56 49.11 0.00 0.00
38
+ ATOM 38 C PTH 1 74.31 73.56 50.11 0.00 0.00
39
+ ATOM 39 C PTH 1 75.31 68.56 47.11 0.00 0.00
40
+ ATOM 40 C PTH 1 75.31 68.56 48.11 0.00 0.00
41
+ ATOM 41 C PTH 1 75.31 69.56 47.11 0.00 0.00
42
+ ATOM 42 C PTH 1 75.31 69.56 48.11 0.00 0.00
43
+ ATOM 43 C PTH 1 75.31 69.56 49.11 0.00 0.00
44
+ ATOM 44 C PTH 1 75.31 69.56 50.11 0.00 0.00
45
+ ATOM 45 C PTH 1 75.31 70.56 47.11 0.00 0.00
46
+ ATOM 46 C PTH 1 75.31 70.56 48.11 0.00 0.00
47
+ ATOM 47 C PTH 1 75.31 70.56 49.11 0.00 0.00
48
+ ATOM 48 C PTH 1 75.31 70.56 50.11 0.00 0.00
49
+ ATOM 49 C PTH 1 75.31 70.56 51.11 0.00 0.00
50
+ ATOM 50 C PTH 1 75.31 71.56 47.11 0.00 0.00
51
+ ATOM 51 C PTH 1 75.31 71.56 48.11 0.00 0.00
52
+ ATOM 52 C PTH 1 75.31 71.56 49.11 0.00 0.00
53
+ ATOM 53 C PTH 1 75.31 71.56 50.11 0.00 0.00
54
+ ATOM 54 C PTH 1 75.31 71.56 51.11 0.00 0.00
55
+ ATOM 55 C PTH 1 75.31 72.56 48.11 0.00 0.00
56
+ ATOM 56 C PTH 1 75.31 72.56 49.11 0.00 0.00
57
+ ATOM 57 C PTH 1 75.31 72.56 50.11 0.00 0.00
58
+ ATOM 58 C PTH 1 75.31 72.56 51.11 0.00 0.00
59
+ ATOM 59 C PTH 1 75.31 73.56 49.11 0.00 0.00
60
+ ATOM 60 C PTH 1 75.31 73.56 50.11 0.00 0.00
61
+ ATOM 61 C PTH 1 75.31 73.56 51.11 0.00 0.00
62
+ ATOM 62 C PTH 1 76.31 68.56 47.11 0.00 0.00
63
+ ATOM 63 C PTH 1 76.31 68.56 48.11 0.00 0.00
64
+ ATOM 64 C PTH 1 76.31 69.56 47.11 0.00 0.00
65
+ ATOM 65 C PTH 1 76.31 69.56 48.11 0.00 0.00
66
+ ATOM 66 C PTH 1 76.31 69.56 49.11 0.00 0.00
67
+ ATOM 67 C PTH 1 76.31 69.56 50.11 0.00 0.00
68
+ ATOM 68 C PTH 1 76.31 70.56 47.11 0.00 0.00
69
+ ATOM 69 C PTH 1 76.31 70.56 48.11 0.00 0.00
70
+ ATOM 70 C PTH 1 76.31 70.56 49.11 0.00 0.00
71
+ ATOM 71 C PTH 1 76.31 70.56 50.11 0.00 0.00
72
+ ATOM 72 C PTH 1 76.31 70.56 51.11 0.00 0.00
73
+ ATOM 73 C PTH 1 76.31 71.56 47.11 0.00 0.00
74
+ ATOM 74 C PTH 1 76.31 71.56 48.11 0.00 0.00
75
+ ATOM 75 C PTH 1 76.31 71.56 49.11 0.00 0.00
76
+ ATOM 76 C PTH 1 76.31 71.56 50.11 0.00 0.00
77
+ ATOM 77 C PTH 1 76.31 71.56 51.11 0.00 0.00
78
+ ATOM 78 C PTH 1 76.31 72.56 48.11 0.00 0.00
79
+ ATOM 79 C PTH 1 76.31 72.56 49.11 0.00 0.00
80
+ ATOM 80 C PTH 1 76.31 72.56 50.11 0.00 0.00
81
+ ATOM 81 C PTH 1 76.31 72.56 51.11 0.00 0.00
82
+ ATOM 82 C PTH 1 76.31 73.56 49.11 0.00 0.00
83
+ ATOM 83 C PTH 1 76.31 73.56 50.11 0.00 0.00
84
+ ATOM 84 C PTH 1 77.31 68.56 47.11 0.00 0.00
85
+ ATOM 85 C PTH 1 77.31 68.56 48.11 0.00 0.00
86
+ ATOM 86 C PTH 1 77.31 68.56 49.11 0.00 0.00
87
+ ATOM 87 C PTH 1 77.31 69.56 47.11 0.00 0.00
88
+ ATOM 88 C PTH 1 77.31 69.56 48.11 0.00 0.00
89
+ ATOM 89 C PTH 1 77.31 69.56 49.11 0.00 0.00
90
+ ATOM 90 C PTH 1 77.31 70.56 47.11 0.00 0.00
91
+ ATOM 91 C PTH 1 77.31 70.56 48.11 0.00 0.00
92
+ ATOM 92 C PTH 1 77.31 70.56 49.11 0.00 0.00
93
+ ATOM 93 C PTH 1 77.31 70.56 50.11 0.00 0.00
94
+ ATOM 94 C PTH 1 77.31 71.56 48.11 0.00 0.00
95
+ ATOM 95 C PTH 1 77.31 71.56 49.11 0.00 0.00
96
+ ATOM 96 C PTH 1 77.31 71.56 50.11 0.00 0.00
97
+ ATOM 97 C PTH 1 77.31 71.56 51.11 0.00 0.00
98
+ ATOM 98 C PTH 1 77.31 72.56 48.11 0.00 0.00
99
+ ATOM 99 C PTH 1 77.31 72.56 49.11 0.00 0.00
100
+ ATOM 100 C PTH 1 77.31 72.56 50.11 0.00 0.00
101
+ ATOM 101 C PTH 1 77.31 72.56 51.11 0.00 0.00
102
+ ATOM 102 C PTH 1 77.31 73.56 49.11 0.00 0.00
103
+ ATOM 103 C PTH 1 77.31 73.56 50.11 0.00 0.00
104
+ ATOM 104 C PTH 1 78.31 69.56 47.11 0.00 0.00
105
+ ATOM 105 C PTH 1 78.31 69.56 48.11 0.00 0.00
106
+ ATOM 106 C PTH 1 78.31 69.56 49.11 0.00 0.00
107
+ ATOM 107 C PTH 1 78.31 70.56 49.11 0.00 0.00
data/files/A000F/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A000K/pocket_01.pdb ADDED
@@ -0,0 +1,902 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 8.88 29.83 -17.04 0.00 0.00
2
+ ATOM 2 C PTH 1 8.88 29.83 -16.04 0.00 0.00
3
+ ATOM 3 C PTH 1 8.88 30.83 -18.04 0.00 0.00
4
+ ATOM 4 C PTH 1 8.88 30.83 -17.04 0.00 0.00
5
+ ATOM 5 C PTH 1 8.88 30.83 -16.04 0.00 0.00
6
+ ATOM 6 C PTH 1 8.88 31.83 -17.04 0.00 0.00
7
+ ATOM 7 C PTH 1 8.88 31.83 -16.04 0.00 0.00
8
+ ATOM 8 C PTH 1 9.88 28.83 -19.04 0.00 0.00
9
+ ATOM 9 C PTH 1 9.88 28.83 -18.04 0.00 0.00
10
+ ATOM 10 C PTH 1 9.88 28.83 -17.04 0.00 0.00
11
+ ATOM 11 C PTH 1 9.88 28.83 -16.04 0.00 0.00
12
+ ATOM 12 C PTH 1 9.88 28.83 -15.04 0.00 0.00
13
+ ATOM 13 C PTH 1 9.88 29.83 -19.04 0.00 0.00
14
+ ATOM 14 C PTH 1 9.88 29.83 -18.04 0.00 0.00
15
+ ATOM 15 C PTH 1 9.88 29.83 -17.04 0.00 0.00
16
+ ATOM 16 C PTH 1 9.88 29.83 -16.04 0.00 0.00
17
+ ATOM 17 C PTH 1 9.88 29.83 -15.04 0.00 0.00
18
+ ATOM 18 C PTH 1 9.88 30.83 -19.04 0.00 0.00
19
+ ATOM 19 C PTH 1 9.88 30.83 -18.04 0.00 0.00
20
+ ATOM 20 C PTH 1 9.88 30.83 -17.04 0.00 0.00
21
+ ATOM 21 C PTH 1 9.88 30.83 -16.04 0.00 0.00
22
+ ATOM 22 C PTH 1 9.88 30.83 -15.04 0.00 0.00
23
+ ATOM 23 C PTH 1 9.88 31.83 -19.04 0.00 0.00
24
+ ATOM 24 C PTH 1 9.88 31.83 -18.04 0.00 0.00
25
+ ATOM 25 C PTH 1 9.88 31.83 -17.04 0.00 0.00
26
+ ATOM 26 C PTH 1 9.88 31.83 -16.04 0.00 0.00
27
+ ATOM 27 C PTH 1 9.88 31.83 -15.04 0.00 0.00
28
+ ATOM 28 C PTH 1 9.88 32.83 -26.04 0.00 0.00
29
+ ATOM 29 C PTH 1 9.88 32.83 -25.04 0.00 0.00
30
+ ATOM 30 C PTH 1 9.88 32.83 -18.04 0.00 0.00
31
+ ATOM 31 C PTH 1 9.88 32.83 -17.04 0.00 0.00
32
+ ATOM 32 C PTH 1 9.88 32.83 -16.04 0.00 0.00
33
+ ATOM 33 C PTH 1 9.88 33.83 -26.04 0.00 0.00
34
+ ATOM 34 C PTH 1 9.88 33.83 -25.04 0.00 0.00
35
+ ATOM 35 C PTH 1 9.88 34.83 -26.04 0.00 0.00
36
+ ATOM 36 C PTH 1 9.88 34.83 -25.04 0.00 0.00
37
+ ATOM 37 C PTH 1 10.88 27.83 -18.04 0.00 0.00
38
+ ATOM 38 C PTH 1 10.88 27.83 -17.04 0.00 0.00
39
+ ATOM 39 C PTH 1 10.88 27.83 -16.04 0.00 0.00
40
+ ATOM 40 C PTH 1 10.88 28.83 -23.04 0.00 0.00
41
+ ATOM 41 C PTH 1 10.88 28.83 -22.04 0.00 0.00
42
+ ATOM 42 C PTH 1 10.88 28.83 -21.04 0.00 0.00
43
+ ATOM 43 C PTH 1 10.88 28.83 -20.04 0.00 0.00
44
+ ATOM 44 C PTH 1 10.88 28.83 -19.04 0.00 0.00
45
+ ATOM 45 C PTH 1 10.88 28.83 -18.04 0.00 0.00
46
+ ATOM 46 C PTH 1 10.88 28.83 -17.04 0.00 0.00
47
+ ATOM 47 C PTH 1 10.88 28.83 -16.04 0.00 0.00
48
+ ATOM 48 C PTH 1 10.88 28.83 -15.04 0.00 0.00
49
+ ATOM 49 C PTH 1 10.88 29.83 -23.04 0.00 0.00
50
+ ATOM 50 C PTH 1 10.88 29.83 -22.04 0.00 0.00
51
+ ATOM 51 C PTH 1 10.88 29.83 -21.04 0.00 0.00
52
+ ATOM 52 C PTH 1 10.88 29.83 -20.04 0.00 0.00
53
+ ATOM 53 C PTH 1 10.88 29.83 -19.04 0.00 0.00
54
+ ATOM 54 C PTH 1 10.88 29.83 -18.04 0.00 0.00
55
+ ATOM 55 C PTH 1 10.88 29.83 -17.04 0.00 0.00
56
+ ATOM 56 C PTH 1 10.88 29.83 -16.04 0.00 0.00
57
+ ATOM 57 C PTH 1 10.88 29.83 -15.04 0.00 0.00
58
+ ATOM 58 C PTH 1 10.88 30.83 -24.04 0.00 0.00
59
+ ATOM 59 C PTH 1 10.88 30.83 -23.04 0.00 0.00
60
+ ATOM 60 C PTH 1 10.88 30.83 -22.04 0.00 0.00
61
+ ATOM 61 C PTH 1 10.88 30.83 -21.04 0.00 0.00
62
+ ATOM 62 C PTH 1 10.88 30.83 -20.04 0.00 0.00
63
+ ATOM 63 C PTH 1 10.88 30.83 -19.04 0.00 0.00
64
+ ATOM 64 C PTH 1 10.88 30.83 -18.04 0.00 0.00
65
+ ATOM 65 C PTH 1 10.88 30.83 -17.04 0.00 0.00
66
+ ATOM 66 C PTH 1 10.88 30.83 -16.04 0.00 0.00
67
+ ATOM 67 C PTH 1 10.88 30.83 -15.04 0.00 0.00
68
+ ATOM 68 C PTH 1 10.88 31.83 -26.04 0.00 0.00
69
+ ATOM 69 C PTH 1 10.88 31.83 -25.04 0.00 0.00
70
+ ATOM 70 C PTH 1 10.88 31.83 -24.04 0.00 0.00
71
+ ATOM 71 C PTH 1 10.88 31.83 -23.04 0.00 0.00
72
+ ATOM 72 C PTH 1 10.88 31.83 -22.04 0.00 0.00
73
+ ATOM 73 C PTH 1 10.88 31.83 -21.04 0.00 0.00
74
+ ATOM 74 C PTH 1 10.88 31.83 -20.04 0.00 0.00
75
+ ATOM 75 C PTH 1 10.88 31.83 -19.04 0.00 0.00
76
+ ATOM 76 C PTH 1 10.88 31.83 -18.04 0.00 0.00
77
+ ATOM 77 C PTH 1 10.88 31.83 -17.04 0.00 0.00
78
+ ATOM 78 C PTH 1 10.88 31.83 -16.04 0.00 0.00
79
+ ATOM 79 C PTH 1 10.88 31.83 -15.04 0.00 0.00
80
+ ATOM 80 C PTH 1 10.88 32.83 -26.04 0.00 0.00
81
+ ATOM 81 C PTH 1 10.88 32.83 -25.04 0.00 0.00
82
+ ATOM 82 C PTH 1 10.88 32.83 -24.04 0.00 0.00
83
+ ATOM 83 C PTH 1 10.88 32.83 -23.04 0.00 0.00
84
+ ATOM 84 C PTH 1 10.88 32.83 -19.04 0.00 0.00
85
+ ATOM 85 C PTH 1 10.88 32.83 -18.04 0.00 0.00
86
+ ATOM 86 C PTH 1 10.88 32.83 -17.04 0.00 0.00
87
+ ATOM 87 C PTH 1 10.88 32.83 -16.04 0.00 0.00
88
+ ATOM 88 C PTH 1 10.88 32.83 -15.04 0.00 0.00
89
+ ATOM 89 C PTH 1 10.88 33.83 -26.04 0.00 0.00
90
+ ATOM 90 C PTH 1 10.88 33.83 -25.04 0.00 0.00
91
+ ATOM 91 C PTH 1 10.88 33.83 -24.04 0.00 0.00
92
+ ATOM 92 C PTH 1 10.88 33.83 -23.04 0.00 0.00
93
+ ATOM 93 C PTH 1 10.88 33.83 -18.04 0.00 0.00
94
+ ATOM 94 C PTH 1 10.88 33.83 -17.04 0.00 0.00
95
+ ATOM 95 C PTH 1 10.88 33.83 -16.04 0.00 0.00
96
+ ATOM 96 C PTH 1 10.88 34.83 -25.04 0.00 0.00
97
+ ATOM 97 C PTH 1 11.88 21.83 -18.04 0.00 0.00
98
+ ATOM 98 C PTH 1 11.88 21.83 -17.04 0.00 0.00
99
+ ATOM 99 C PTH 1 11.88 22.83 -18.04 0.00 0.00
100
+ ATOM 100 C PTH 1 11.88 22.83 -17.04 0.00 0.00
101
+ ATOM 101 C PTH 1 11.88 23.83 -20.04 0.00 0.00
102
+ ATOM 102 C PTH 1 11.88 23.83 -19.04 0.00 0.00
103
+ ATOM 103 C PTH 1 11.88 23.83 -18.04 0.00 0.00
104
+ ATOM 104 C PTH 1 11.88 23.83 -17.04 0.00 0.00
105
+ ATOM 105 C PTH 1 11.88 24.83 -20.04 0.00 0.00
106
+ ATOM 106 C PTH 1 11.88 24.83 -19.04 0.00 0.00
107
+ ATOM 107 C PTH 1 11.88 24.83 -18.04 0.00 0.00
108
+ ATOM 108 C PTH 1 11.88 24.83 -17.04 0.00 0.00
109
+ ATOM 109 C PTH 1 11.88 24.83 -16.04 0.00 0.00
110
+ ATOM 110 C PTH 1 11.88 25.83 -21.04 0.00 0.00
111
+ ATOM 111 C PTH 1 11.88 25.83 -20.04 0.00 0.00
112
+ ATOM 112 C PTH 1 11.88 25.83 -19.04 0.00 0.00
113
+ ATOM 113 C PTH 1 11.88 25.83 -18.04 0.00 0.00
114
+ ATOM 114 C PTH 1 11.88 25.83 -17.04 0.00 0.00
115
+ ATOM 115 C PTH 1 11.88 25.83 -16.04 0.00 0.00
116
+ ATOM 116 C PTH 1 11.88 25.83 -15.04 0.00 0.00
117
+ ATOM 117 C PTH 1 11.88 26.83 -21.04 0.00 0.00
118
+ ATOM 118 C PTH 1 11.88 26.83 -20.04 0.00 0.00
119
+ ATOM 119 C PTH 1 11.88 26.83 -19.04 0.00 0.00
120
+ ATOM 120 C PTH 1 11.88 26.83 -18.04 0.00 0.00
121
+ ATOM 121 C PTH 1 11.88 26.83 -17.04 0.00 0.00
122
+ ATOM 122 C PTH 1 11.88 26.83 -16.04 0.00 0.00
123
+ ATOM 123 C PTH 1 11.88 26.83 -15.04 0.00 0.00
124
+ ATOM 124 C PTH 1 11.88 27.83 -22.04 0.00 0.00
125
+ ATOM 125 C PTH 1 11.88 27.83 -21.04 0.00 0.00
126
+ ATOM 126 C PTH 1 11.88 27.83 -20.04 0.00 0.00
127
+ ATOM 127 C PTH 1 11.88 27.83 -19.04 0.00 0.00
128
+ ATOM 128 C PTH 1 11.88 27.83 -18.04 0.00 0.00
129
+ ATOM 129 C PTH 1 11.88 27.83 -17.04 0.00 0.00
130
+ ATOM 130 C PTH 1 11.88 27.83 -16.04 0.00 0.00
131
+ ATOM 131 C PTH 1 11.88 27.83 -15.04 0.00 0.00
132
+ ATOM 132 C PTH 1 11.88 28.83 -23.04 0.00 0.00
133
+ ATOM 133 C PTH 1 11.88 28.83 -22.04 0.00 0.00
134
+ ATOM 134 C PTH 1 11.88 28.83 -21.04 0.00 0.00
135
+ ATOM 135 C PTH 1 11.88 28.83 -20.04 0.00 0.00
136
+ ATOM 136 C PTH 1 11.88 28.83 -19.04 0.00 0.00
137
+ ATOM 137 C PTH 1 11.88 28.83 -18.04 0.00 0.00
138
+ ATOM 138 C PTH 1 11.88 28.83 -17.04 0.00 0.00
139
+ ATOM 139 C PTH 1 11.88 28.83 -16.04 0.00 0.00
140
+ ATOM 140 C PTH 1 11.88 28.83 -15.04 0.00 0.00
141
+ ATOM 141 C PTH 1 11.88 29.83 -24.04 0.00 0.00
142
+ ATOM 142 C PTH 1 11.88 29.83 -23.04 0.00 0.00
143
+ ATOM 143 C PTH 1 11.88 29.83 -22.04 0.00 0.00
144
+ ATOM 144 C PTH 1 11.88 29.83 -21.04 0.00 0.00
145
+ ATOM 145 C PTH 1 11.88 29.83 -20.04 0.00 0.00
146
+ ATOM 146 C PTH 1 11.88 29.83 -19.04 0.00 0.00
147
+ ATOM 147 C PTH 1 11.88 29.83 -18.04 0.00 0.00
148
+ ATOM 148 C PTH 1 11.88 29.83 -17.04 0.00 0.00
149
+ ATOM 149 C PTH 1 11.88 29.83 -16.04 0.00 0.00
150
+ ATOM 150 C PTH 1 11.88 29.83 -15.04 0.00 0.00
151
+ ATOM 151 C PTH 1 11.88 30.83 -25.04 0.00 0.00
152
+ ATOM 152 C PTH 1 11.88 30.83 -24.04 0.00 0.00
153
+ ATOM 153 C PTH 1 11.88 30.83 -23.04 0.00 0.00
154
+ ATOM 154 C PTH 1 11.88 30.83 -22.04 0.00 0.00
155
+ ATOM 155 C PTH 1 11.88 30.83 -21.04 0.00 0.00
156
+ ATOM 156 C PTH 1 11.88 30.83 -20.04 0.00 0.00
157
+ ATOM 157 C PTH 1 11.88 30.83 -19.04 0.00 0.00
158
+ ATOM 158 C PTH 1 11.88 30.83 -18.04 0.00 0.00
159
+ ATOM 159 C PTH 1 11.88 30.83 -17.04 0.00 0.00
160
+ ATOM 160 C PTH 1 11.88 30.83 -16.04 0.00 0.00
161
+ ATOM 161 C PTH 1 11.88 30.83 -15.04 0.00 0.00
162
+ ATOM 162 C PTH 1 11.88 31.83 -25.04 0.00 0.00
163
+ ATOM 163 C PTH 1 11.88 31.83 -24.04 0.00 0.00
164
+ ATOM 164 C PTH 1 11.88 31.83 -23.04 0.00 0.00
165
+ ATOM 165 C PTH 1 11.88 31.83 -22.04 0.00 0.00
166
+ ATOM 166 C PTH 1 11.88 31.83 -21.04 0.00 0.00
167
+ ATOM 167 C PTH 1 11.88 31.83 -20.04 0.00 0.00
168
+ ATOM 168 C PTH 1 11.88 31.83 -19.04 0.00 0.00
169
+ ATOM 169 C PTH 1 11.88 31.83 -18.04 0.00 0.00
170
+ ATOM 170 C PTH 1 11.88 31.83 -17.04 0.00 0.00
171
+ ATOM 171 C PTH 1 11.88 31.83 -16.04 0.00 0.00
172
+ ATOM 172 C PTH 1 11.88 31.83 -15.04 0.00 0.00
173
+ ATOM 173 C PTH 1 11.88 32.83 -25.04 0.00 0.00
174
+ ATOM 174 C PTH 1 11.88 32.83 -24.04 0.00 0.00
175
+ ATOM 175 C PTH 1 11.88 32.83 -23.04 0.00 0.00
176
+ ATOM 176 C PTH 1 11.88 32.83 -22.04 0.00 0.00
177
+ ATOM 177 C PTH 1 11.88 32.83 -21.04 0.00 0.00
178
+ ATOM 178 C PTH 1 11.88 32.83 -20.04 0.00 0.00
179
+ ATOM 179 C PTH 1 11.88 32.83 -19.04 0.00 0.00
180
+ ATOM 180 C PTH 1 11.88 32.83 -18.04 0.00 0.00
181
+ ATOM 181 C PTH 1 11.88 32.83 -17.04 0.00 0.00
182
+ ATOM 182 C PTH 1 11.88 32.83 -16.04 0.00 0.00
183
+ ATOM 183 C PTH 1 11.88 32.83 -15.04 0.00 0.00
184
+ ATOM 184 C PTH 1 11.88 33.83 -25.04 0.00 0.00
185
+ ATOM 185 C PTH 1 11.88 33.83 -24.04 0.00 0.00
186
+ ATOM 186 C PTH 1 11.88 33.83 -23.04 0.00 0.00
187
+ ATOM 187 C PTH 1 11.88 33.83 -19.04 0.00 0.00
188
+ ATOM 188 C PTH 1 11.88 33.83 -18.04 0.00 0.00
189
+ ATOM 189 C PTH 1 11.88 33.83 -17.04 0.00 0.00
190
+ ATOM 190 C PTH 1 11.88 33.83 -16.04 0.00 0.00
191
+ ATOM 191 C PTH 1 11.88 34.83 -24.04 0.00 0.00
192
+ ATOM 192 C PTH 1 11.88 34.83 -17.04 0.00 0.00
193
+ ATOM 193 C PTH 1 12.88 21.83 -19.04 0.00 0.00
194
+ ATOM 194 C PTH 1 12.88 21.83 -18.04 0.00 0.00
195
+ ATOM 195 C PTH 1 12.88 22.83 -20.04 0.00 0.00
196
+ ATOM 196 C PTH 1 12.88 22.83 -19.04 0.00 0.00
197
+ ATOM 197 C PTH 1 12.88 22.83 -18.04 0.00 0.00
198
+ ATOM 198 C PTH 1 12.88 22.83 -17.04 0.00 0.00
199
+ ATOM 199 C PTH 1 12.88 23.83 -21.04 0.00 0.00
200
+ ATOM 200 C PTH 1 12.88 23.83 -20.04 0.00 0.00
201
+ ATOM 201 C PTH 1 12.88 23.83 -19.04 0.00 0.00
202
+ ATOM 202 C PTH 1 12.88 23.83 -18.04 0.00 0.00
203
+ ATOM 203 C PTH 1 12.88 23.83 -17.04 0.00 0.00
204
+ ATOM 204 C PTH 1 12.88 23.83 -16.04 0.00 0.00
205
+ ATOM 205 C PTH 1 12.88 24.83 -25.04 0.00 0.00
206
+ ATOM 206 C PTH 1 12.88 24.83 -22.04 0.00 0.00
207
+ ATOM 207 C PTH 1 12.88 24.83 -21.04 0.00 0.00
208
+ ATOM 208 C PTH 1 12.88 24.83 -20.04 0.00 0.00
209
+ ATOM 209 C PTH 1 12.88 24.83 -19.04 0.00 0.00
210
+ ATOM 210 C PTH 1 12.88 24.83 -18.04 0.00 0.00
211
+ ATOM 211 C PTH 1 12.88 24.83 -17.04 0.00 0.00
212
+ ATOM 212 C PTH 1 12.88 24.83 -16.04 0.00 0.00
213
+ ATOM 213 C PTH 1 12.88 24.83 -15.04 0.00 0.00
214
+ ATOM 214 C PTH 1 12.88 25.83 -24.04 0.00 0.00
215
+ ATOM 215 C PTH 1 12.88 25.83 -23.04 0.00 0.00
216
+ ATOM 216 C PTH 1 12.88 25.83 -22.04 0.00 0.00
217
+ ATOM 217 C PTH 1 12.88 25.83 -21.04 0.00 0.00
218
+ ATOM 218 C PTH 1 12.88 25.83 -20.04 0.00 0.00
219
+ ATOM 219 C PTH 1 12.88 25.83 -19.04 0.00 0.00
220
+ ATOM 220 C PTH 1 12.88 25.83 -18.04 0.00 0.00
221
+ ATOM 221 C PTH 1 12.88 25.83 -17.04 0.00 0.00
222
+ ATOM 222 C PTH 1 12.88 25.83 -16.04 0.00 0.00
223
+ ATOM 223 C PTH 1 12.88 25.83 -15.04 0.00 0.00
224
+ ATOM 224 C PTH 1 12.88 26.83 -24.04 0.00 0.00
225
+ ATOM 225 C PTH 1 12.88 26.83 -23.04 0.00 0.00
226
+ ATOM 226 C PTH 1 12.88 26.83 -22.04 0.00 0.00
227
+ ATOM 227 C PTH 1 12.88 26.83 -21.04 0.00 0.00
228
+ ATOM 228 C PTH 1 12.88 26.83 -20.04 0.00 0.00
229
+ ATOM 229 C PTH 1 12.88 26.83 -19.04 0.00 0.00
230
+ ATOM 230 C PTH 1 12.88 26.83 -18.04 0.00 0.00
231
+ ATOM 231 C PTH 1 12.88 26.83 -17.04 0.00 0.00
232
+ ATOM 232 C PTH 1 12.88 26.83 -16.04 0.00 0.00
233
+ ATOM 233 C PTH 1 12.88 26.83 -15.04 0.00 0.00
234
+ ATOM 234 C PTH 1 12.88 27.83 -24.04 0.00 0.00
235
+ ATOM 235 C PTH 1 12.88 27.83 -23.04 0.00 0.00
236
+ ATOM 236 C PTH 1 12.88 27.83 -22.04 0.00 0.00
237
+ ATOM 237 C PTH 1 12.88 27.83 -21.04 0.00 0.00
238
+ ATOM 238 C PTH 1 12.88 27.83 -20.04 0.00 0.00
239
+ ATOM 239 C PTH 1 12.88 27.83 -19.04 0.00 0.00
240
+ ATOM 240 C PTH 1 12.88 27.83 -18.04 0.00 0.00
241
+ ATOM 241 C PTH 1 12.88 27.83 -17.04 0.00 0.00
242
+ ATOM 242 C PTH 1 12.88 27.83 -16.04 0.00 0.00
243
+ ATOM 243 C PTH 1 12.88 27.83 -15.04 0.00 0.00
244
+ ATOM 244 C PTH 1 12.88 28.83 -24.04 0.00 0.00
245
+ ATOM 245 C PTH 1 12.88 28.83 -23.04 0.00 0.00
246
+ ATOM 246 C PTH 1 12.88 28.83 -22.04 0.00 0.00
247
+ ATOM 247 C PTH 1 12.88 28.83 -21.04 0.00 0.00
248
+ ATOM 248 C PTH 1 12.88 28.83 -20.04 0.00 0.00
249
+ ATOM 249 C PTH 1 12.88 28.83 -19.04 0.00 0.00
250
+ ATOM 250 C PTH 1 12.88 28.83 -18.04 0.00 0.00
251
+ ATOM 251 C PTH 1 12.88 28.83 -17.04 0.00 0.00
252
+ ATOM 252 C PTH 1 12.88 28.83 -16.04 0.00 0.00
253
+ ATOM 253 C PTH 1 12.88 28.83 -15.04 0.00 0.00
254
+ ATOM 254 C PTH 1 12.88 29.83 -24.04 0.00 0.00
255
+ ATOM 255 C PTH 1 12.88 29.83 -23.04 0.00 0.00
256
+ ATOM 256 C PTH 1 12.88 29.83 -22.04 0.00 0.00
257
+ ATOM 257 C PTH 1 12.88 29.83 -21.04 0.00 0.00
258
+ ATOM 258 C PTH 1 12.88 29.83 -20.04 0.00 0.00
259
+ ATOM 259 C PTH 1 12.88 29.83 -19.04 0.00 0.00
260
+ ATOM 260 C PTH 1 12.88 29.83 -18.04 0.00 0.00
261
+ ATOM 261 C PTH 1 12.88 29.83 -17.04 0.00 0.00
262
+ ATOM 262 C PTH 1 12.88 29.83 -16.04 0.00 0.00
263
+ ATOM 263 C PTH 1 12.88 29.83 -15.04 0.00 0.00
264
+ ATOM 264 C PTH 1 12.88 30.83 -25.04 0.00 0.00
265
+ ATOM 265 C PTH 1 12.88 30.83 -24.04 0.00 0.00
266
+ ATOM 266 C PTH 1 12.88 30.83 -23.04 0.00 0.00
267
+ ATOM 267 C PTH 1 12.88 30.83 -22.04 0.00 0.00
268
+ ATOM 268 C PTH 1 12.88 30.83 -21.04 0.00 0.00
269
+ ATOM 269 C PTH 1 12.88 30.83 -20.04 0.00 0.00
270
+ ATOM 270 C PTH 1 12.88 30.83 -19.04 0.00 0.00
271
+ ATOM 271 C PTH 1 12.88 30.83 -18.04 0.00 0.00
272
+ ATOM 272 C PTH 1 12.88 30.83 -17.04 0.00 0.00
273
+ ATOM 273 C PTH 1 12.88 30.83 -16.04 0.00 0.00
274
+ ATOM 274 C PTH 1 12.88 30.83 -15.04 0.00 0.00
275
+ ATOM 275 C PTH 1 12.88 31.83 -25.04 0.00 0.00
276
+ ATOM 276 C PTH 1 12.88 31.83 -24.04 0.00 0.00
277
+ ATOM 277 C PTH 1 12.88 31.83 -23.04 0.00 0.00
278
+ ATOM 278 C PTH 1 12.88 31.83 -22.04 0.00 0.00
279
+ ATOM 279 C PTH 1 12.88 31.83 -21.04 0.00 0.00
280
+ ATOM 280 C PTH 1 12.88 31.83 -20.04 0.00 0.00
281
+ ATOM 281 C PTH 1 12.88 31.83 -19.04 0.00 0.00
282
+ ATOM 282 C PTH 1 12.88 31.83 -18.04 0.00 0.00
283
+ ATOM 283 C PTH 1 12.88 31.83 -17.04 0.00 0.00
284
+ ATOM 284 C PTH 1 12.88 31.83 -16.04 0.00 0.00
285
+ ATOM 285 C PTH 1 12.88 31.83 -15.04 0.00 0.00
286
+ ATOM 286 C PTH 1 12.88 32.83 -25.04 0.00 0.00
287
+ ATOM 287 C PTH 1 12.88 32.83 -24.04 0.00 0.00
288
+ ATOM 288 C PTH 1 12.88 32.83 -23.04 0.00 0.00
289
+ ATOM 289 C PTH 1 12.88 32.83 -22.04 0.00 0.00
290
+ ATOM 290 C PTH 1 12.88 32.83 -21.04 0.00 0.00
291
+ ATOM 291 C PTH 1 12.88 32.83 -20.04 0.00 0.00
292
+ ATOM 292 C PTH 1 12.88 32.83 -19.04 0.00 0.00
293
+ ATOM 293 C PTH 1 12.88 32.83 -18.04 0.00 0.00
294
+ ATOM 294 C PTH 1 12.88 32.83 -17.04 0.00 0.00
295
+ ATOM 295 C PTH 1 12.88 32.83 -16.04 0.00 0.00
296
+ ATOM 296 C PTH 1 12.88 33.83 -25.04 0.00 0.00
297
+ ATOM 297 C PTH 1 12.88 33.83 -24.04 0.00 0.00
298
+ ATOM 298 C PTH 1 12.88 33.83 -23.04 0.00 0.00
299
+ ATOM 299 C PTH 1 12.88 33.83 -22.04 0.00 0.00
300
+ ATOM 300 C PTH 1 12.88 33.83 -19.04 0.00 0.00
301
+ ATOM 301 C PTH 1 12.88 33.83 -18.04 0.00 0.00
302
+ ATOM 302 C PTH 1 12.88 33.83 -17.04 0.00 0.00
303
+ ATOM 303 C PTH 1 12.88 33.83 -16.04 0.00 0.00
304
+ ATOM 304 C PTH 1 12.88 34.83 -19.04 0.00 0.00
305
+ ATOM 305 C PTH 1 12.88 34.83 -18.04 0.00 0.00
306
+ ATOM 306 C PTH 1 12.88 34.83 -17.04 0.00 0.00
307
+ ATOM 307 C PTH 1 13.88 19.83 -28.04 0.00 0.00
308
+ ATOM 308 C PTH 1 13.88 19.83 -27.04 0.00 0.00
309
+ ATOM 309 C PTH 1 13.88 19.83 -26.04 0.00 0.00
310
+ ATOM 310 C PTH 1 13.88 20.83 -28.04 0.00 0.00
311
+ ATOM 311 C PTH 1 13.88 20.83 -27.04 0.00 0.00
312
+ ATOM 312 C PTH 1 13.88 20.83 -26.04 0.00 0.00
313
+ ATOM 313 C PTH 1 13.88 20.83 -25.04 0.00 0.00
314
+ ATOM 314 C PTH 1 13.88 21.83 -29.04 0.00 0.00
315
+ ATOM 315 C PTH 1 13.88 21.83 -28.04 0.00 0.00
316
+ ATOM 316 C PTH 1 13.88 21.83 -27.04 0.00 0.00
317
+ ATOM 317 C PTH 1 13.88 21.83 -26.04 0.00 0.00
318
+ ATOM 318 C PTH 1 13.88 21.83 -25.04 0.00 0.00
319
+ ATOM 319 C PTH 1 13.88 21.83 -24.04 0.00 0.00
320
+ ATOM 320 C PTH 1 13.88 21.83 -19.04 0.00 0.00
321
+ ATOM 321 C PTH 1 13.88 21.83 -18.04 0.00 0.00
322
+ ATOM 322 C PTH 1 13.88 22.83 -28.04 0.00 0.00
323
+ ATOM 323 C PTH 1 13.88 22.83 -27.04 0.00 0.00
324
+ ATOM 324 C PTH 1 13.88 22.83 -26.04 0.00 0.00
325
+ ATOM 325 C PTH 1 13.88 22.83 -25.04 0.00 0.00
326
+ ATOM 326 C PTH 1 13.88 22.83 -24.04 0.00 0.00
327
+ ATOM 327 C PTH 1 13.88 22.83 -23.04 0.00 0.00
328
+ ATOM 328 C PTH 1 13.88 22.83 -21.04 0.00 0.00
329
+ ATOM 329 C PTH 1 13.88 22.83 -20.04 0.00 0.00
330
+ ATOM 330 C PTH 1 13.88 22.83 -19.04 0.00 0.00
331
+ ATOM 331 C PTH 1 13.88 22.83 -18.04 0.00 0.00
332
+ ATOM 332 C PTH 1 13.88 22.83 -17.04 0.00 0.00
333
+ ATOM 333 C PTH 1 13.88 23.83 -27.04 0.00 0.00
334
+ ATOM 334 C PTH 1 13.88 23.83 -26.04 0.00 0.00
335
+ ATOM 335 C PTH 1 13.88 23.83 -25.04 0.00 0.00
336
+ ATOM 336 C PTH 1 13.88 23.83 -24.04 0.00 0.00
337
+ ATOM 337 C PTH 1 13.88 23.83 -23.04 0.00 0.00
338
+ ATOM 338 C PTH 1 13.88 23.83 -22.04 0.00 0.00
339
+ ATOM 339 C PTH 1 13.88 23.83 -21.04 0.00 0.00
340
+ ATOM 340 C PTH 1 13.88 23.83 -20.04 0.00 0.00
341
+ ATOM 341 C PTH 1 13.88 23.83 -19.04 0.00 0.00
342
+ ATOM 342 C PTH 1 13.88 23.83 -18.04 0.00 0.00
343
+ ATOM 343 C PTH 1 13.88 23.83 -17.04 0.00 0.00
344
+ ATOM 344 C PTH 1 13.88 23.83 -16.04 0.00 0.00
345
+ ATOM 345 C PTH 1 13.88 24.83 -27.04 0.00 0.00
346
+ ATOM 346 C PTH 1 13.88 24.83 -26.04 0.00 0.00
347
+ ATOM 347 C PTH 1 13.88 24.83 -25.04 0.00 0.00
348
+ ATOM 348 C PTH 1 13.88 24.83 -24.04 0.00 0.00
349
+ ATOM 349 C PTH 1 13.88 24.83 -23.04 0.00 0.00
350
+ ATOM 350 C PTH 1 13.88 24.83 -22.04 0.00 0.00
351
+ ATOM 351 C PTH 1 13.88 24.83 -21.04 0.00 0.00
352
+ ATOM 352 C PTH 1 13.88 24.83 -20.04 0.00 0.00
353
+ ATOM 353 C PTH 1 13.88 24.83 -19.04 0.00 0.00
354
+ ATOM 354 C PTH 1 13.88 24.83 -18.04 0.00 0.00
355
+ ATOM 355 C PTH 1 13.88 24.83 -17.04 0.00 0.00
356
+ ATOM 356 C PTH 1 13.88 24.83 -16.04 0.00 0.00
357
+ ATOM 357 C PTH 1 13.88 24.83 -15.04 0.00 0.00
358
+ ATOM 358 C PTH 1 13.88 25.83 -26.04 0.00 0.00
359
+ ATOM 359 C PTH 1 13.88 25.83 -25.04 0.00 0.00
360
+ ATOM 360 C PTH 1 13.88 25.83 -24.04 0.00 0.00
361
+ ATOM 361 C PTH 1 13.88 25.83 -23.04 0.00 0.00
362
+ ATOM 362 C PTH 1 13.88 25.83 -22.04 0.00 0.00
363
+ ATOM 363 C PTH 1 13.88 25.83 -21.04 0.00 0.00
364
+ ATOM 364 C PTH 1 13.88 25.83 -20.04 0.00 0.00
365
+ ATOM 365 C PTH 1 13.88 25.83 -19.04 0.00 0.00
366
+ ATOM 366 C PTH 1 13.88 25.83 -18.04 0.00 0.00
367
+ ATOM 367 C PTH 1 13.88 25.83 -17.04 0.00 0.00
368
+ ATOM 368 C PTH 1 13.88 25.83 -16.04 0.00 0.00
369
+ ATOM 369 C PTH 1 13.88 25.83 -15.04 0.00 0.00
370
+ ATOM 370 C PTH 1 13.88 26.83 -26.04 0.00 0.00
371
+ ATOM 371 C PTH 1 13.88 26.83 -25.04 0.00 0.00
372
+ ATOM 372 C PTH 1 13.88 26.83 -24.04 0.00 0.00
373
+ ATOM 373 C PTH 1 13.88 26.83 -23.04 0.00 0.00
374
+ ATOM 374 C PTH 1 13.88 26.83 -22.04 0.00 0.00
375
+ ATOM 375 C PTH 1 13.88 26.83 -21.04 0.00 0.00
376
+ ATOM 376 C PTH 1 13.88 26.83 -20.04 0.00 0.00
377
+ ATOM 377 C PTH 1 13.88 26.83 -19.04 0.00 0.00
378
+ ATOM 378 C PTH 1 13.88 26.83 -18.04 0.00 0.00
379
+ ATOM 379 C PTH 1 13.88 26.83 -17.04 0.00 0.00
380
+ ATOM 380 C PTH 1 13.88 26.83 -16.04 0.00 0.00
381
+ ATOM 381 C PTH 1 13.88 26.83 -15.04 0.00 0.00
382
+ ATOM 382 C PTH 1 13.88 27.83 -25.04 0.00 0.00
383
+ ATOM 383 C PTH 1 13.88 27.83 -24.04 0.00 0.00
384
+ ATOM 384 C PTH 1 13.88 27.83 -23.04 0.00 0.00
385
+ ATOM 385 C PTH 1 13.88 27.83 -22.04 0.00 0.00
386
+ ATOM 386 C PTH 1 13.88 27.83 -21.04 0.00 0.00
387
+ ATOM 387 C PTH 1 13.88 27.83 -20.04 0.00 0.00
388
+ ATOM 388 C PTH 1 13.88 27.83 -19.04 0.00 0.00
389
+ ATOM 389 C PTH 1 13.88 27.83 -18.04 0.00 0.00
390
+ ATOM 390 C PTH 1 13.88 27.83 -17.04 0.00 0.00
391
+ ATOM 391 C PTH 1 13.88 27.83 -16.04 0.00 0.00
392
+ ATOM 392 C PTH 1 13.88 28.83 -25.04 0.00 0.00
393
+ ATOM 393 C PTH 1 13.88 28.83 -24.04 0.00 0.00
394
+ ATOM 394 C PTH 1 13.88 28.83 -23.04 0.00 0.00
395
+ ATOM 395 C PTH 1 13.88 28.83 -22.04 0.00 0.00
396
+ ATOM 396 C PTH 1 13.88 28.83 -21.04 0.00 0.00
397
+ ATOM 397 C PTH 1 13.88 28.83 -20.04 0.00 0.00
398
+ ATOM 398 C PTH 1 13.88 28.83 -19.04 0.00 0.00
399
+ ATOM 399 C PTH 1 13.88 28.83 -18.04 0.00 0.00
400
+ ATOM 400 C PTH 1 13.88 28.83 -17.04 0.00 0.00
401
+ ATOM 401 C PTH 1 13.88 28.83 -16.04 0.00 0.00
402
+ ATOM 402 C PTH 1 13.88 29.83 -25.04 0.00 0.00
403
+ ATOM 403 C PTH 1 13.88 29.83 -24.04 0.00 0.00
404
+ ATOM 404 C PTH 1 13.88 29.83 -23.04 0.00 0.00
405
+ ATOM 405 C PTH 1 13.88 29.83 -22.04 0.00 0.00
406
+ ATOM 406 C PTH 1 13.88 29.83 -21.04 0.00 0.00
407
+ ATOM 407 C PTH 1 13.88 29.83 -20.04 0.00 0.00
408
+ ATOM 408 C PTH 1 13.88 29.83 -19.04 0.00 0.00
409
+ ATOM 409 C PTH 1 13.88 29.83 -18.04 0.00 0.00
410
+ ATOM 410 C PTH 1 13.88 29.83 -17.04 0.00 0.00
411
+ ATOM 411 C PTH 1 13.88 29.83 -16.04 0.00 0.00
412
+ ATOM 412 C PTH 1 13.88 30.83 -26.04 0.00 0.00
413
+ ATOM 413 C PTH 1 13.88 30.83 -25.04 0.00 0.00
414
+ ATOM 414 C PTH 1 13.88 30.83 -24.04 0.00 0.00
415
+ ATOM 415 C PTH 1 13.88 30.83 -23.04 0.00 0.00
416
+ ATOM 416 C PTH 1 13.88 30.83 -22.04 0.00 0.00
417
+ ATOM 417 C PTH 1 13.88 30.83 -21.04 0.00 0.00
418
+ ATOM 418 C PTH 1 13.88 30.83 -20.04 0.00 0.00
419
+ ATOM 419 C PTH 1 13.88 30.83 -19.04 0.00 0.00
420
+ ATOM 420 C PTH 1 13.88 30.83 -18.04 0.00 0.00
421
+ ATOM 421 C PTH 1 13.88 30.83 -17.04 0.00 0.00
422
+ ATOM 422 C PTH 1 13.88 30.83 -16.04 0.00 0.00
423
+ ATOM 423 C PTH 1 13.88 31.83 -26.04 0.00 0.00
424
+ ATOM 424 C PTH 1 13.88 31.83 -25.04 0.00 0.00
425
+ ATOM 425 C PTH 1 13.88 31.83 -24.04 0.00 0.00
426
+ ATOM 426 C PTH 1 13.88 31.83 -23.04 0.00 0.00
427
+ ATOM 427 C PTH 1 13.88 31.83 -22.04 0.00 0.00
428
+ ATOM 428 C PTH 1 13.88 31.83 -21.04 0.00 0.00
429
+ ATOM 429 C PTH 1 13.88 31.83 -20.04 0.00 0.00
430
+ ATOM 430 C PTH 1 13.88 31.83 -19.04 0.00 0.00
431
+ ATOM 431 C PTH 1 13.88 31.83 -18.04 0.00 0.00
432
+ ATOM 432 C PTH 1 13.88 31.83 -17.04 0.00 0.00
433
+ ATOM 433 C PTH 1 13.88 32.83 -26.04 0.00 0.00
434
+ ATOM 434 C PTH 1 13.88 32.83 -25.04 0.00 0.00
435
+ ATOM 435 C PTH 1 13.88 32.83 -24.04 0.00 0.00
436
+ ATOM 436 C PTH 1 13.88 32.83 -23.04 0.00 0.00
437
+ ATOM 437 C PTH 1 13.88 32.83 -22.04 0.00 0.00
438
+ ATOM 438 C PTH 1 13.88 32.83 -21.04 0.00 0.00
439
+ ATOM 439 C PTH 1 13.88 32.83 -19.04 0.00 0.00
440
+ ATOM 440 C PTH 1 13.88 32.83 -18.04 0.00 0.00
441
+ ATOM 441 C PTH 1 13.88 32.83 -17.04 0.00 0.00
442
+ ATOM 442 C PTH 1 13.88 33.83 -25.04 0.00 0.00
443
+ ATOM 443 C PTH 1 13.88 33.83 -24.04 0.00 0.00
444
+ ATOM 444 C PTH 1 13.88 33.83 -23.04 0.00 0.00
445
+ ATOM 445 C PTH 1 13.88 33.83 -22.04 0.00 0.00
446
+ ATOM 446 C PTH 1 13.88 33.83 -19.04 0.00 0.00
447
+ ATOM 447 C PTH 1 13.88 33.83 -18.04 0.00 0.00
448
+ ATOM 448 C PTH 1 13.88 33.83 -17.04 0.00 0.00
449
+ ATOM 449 C PTH 1 13.88 34.83 -19.04 0.00 0.00
450
+ ATOM 450 C PTH 1 13.88 34.83 -18.04 0.00 0.00
451
+ ATOM 451 C PTH 1 13.88 34.83 -17.04 0.00 0.00
452
+ ATOM 452 C PTH 1 14.88 19.83 -28.04 0.00 0.00
453
+ ATOM 453 C PTH 1 14.88 19.83 -27.04 0.00 0.00
454
+ ATOM 454 C PTH 1 14.88 19.83 -26.04 0.00 0.00
455
+ ATOM 455 C PTH 1 14.88 20.83 -28.04 0.00 0.00
456
+ ATOM 456 C PTH 1 14.88 20.83 -27.04 0.00 0.00
457
+ ATOM 457 C PTH 1 14.88 20.83 -26.04 0.00 0.00
458
+ ATOM 458 C PTH 1 14.88 20.83 -25.04 0.00 0.00
459
+ ATOM 459 C PTH 1 14.88 21.83 -29.04 0.00 0.00
460
+ ATOM 460 C PTH 1 14.88 21.83 -28.04 0.00 0.00
461
+ ATOM 461 C PTH 1 14.88 21.83 -27.04 0.00 0.00
462
+ ATOM 462 C PTH 1 14.88 21.83 -26.04 0.00 0.00
463
+ ATOM 463 C PTH 1 14.88 21.83 -25.04 0.00 0.00
464
+ ATOM 464 C PTH 1 14.88 21.83 -24.04 0.00 0.00
465
+ ATOM 465 C PTH 1 14.88 21.83 -20.04 0.00 0.00
466
+ ATOM 466 C PTH 1 14.88 21.83 -19.04 0.00 0.00
467
+ ATOM 467 C PTH 1 14.88 21.83 -18.04 0.00 0.00
468
+ ATOM 468 C PTH 1 14.88 22.83 -29.04 0.00 0.00
469
+ ATOM 469 C PTH 1 14.88 22.83 -28.04 0.00 0.00
470
+ ATOM 470 C PTH 1 14.88 22.83 -27.04 0.00 0.00
471
+ ATOM 471 C PTH 1 14.88 22.83 -26.04 0.00 0.00
472
+ ATOM 472 C PTH 1 14.88 22.83 -25.04 0.00 0.00
473
+ ATOM 473 C PTH 1 14.88 22.83 -24.04 0.00 0.00
474
+ ATOM 474 C PTH 1 14.88 22.83 -23.04 0.00 0.00
475
+ ATOM 475 C PTH 1 14.88 22.83 -22.04 0.00 0.00
476
+ ATOM 476 C PTH 1 14.88 22.83 -21.04 0.00 0.00
477
+ ATOM 477 C PTH 1 14.88 22.83 -20.04 0.00 0.00
478
+ ATOM 478 C PTH 1 14.88 22.83 -19.04 0.00 0.00
479
+ ATOM 479 C PTH 1 14.88 22.83 -18.04 0.00 0.00
480
+ ATOM 480 C PTH 1 14.88 22.83 -17.04 0.00 0.00
481
+ ATOM 481 C PTH 1 14.88 23.83 -28.04 0.00 0.00
482
+ ATOM 482 C PTH 1 14.88 23.83 -27.04 0.00 0.00
483
+ ATOM 483 C PTH 1 14.88 23.83 -26.04 0.00 0.00
484
+ ATOM 484 C PTH 1 14.88 23.83 -25.04 0.00 0.00
485
+ ATOM 485 C PTH 1 14.88 23.83 -24.04 0.00 0.00
486
+ ATOM 486 C PTH 1 14.88 23.83 -23.04 0.00 0.00
487
+ ATOM 487 C PTH 1 14.88 23.83 -22.04 0.00 0.00
488
+ ATOM 488 C PTH 1 14.88 23.83 -21.04 0.00 0.00
489
+ ATOM 489 C PTH 1 14.88 23.83 -20.04 0.00 0.00
490
+ ATOM 490 C PTH 1 14.88 23.83 -19.04 0.00 0.00
491
+ ATOM 491 C PTH 1 14.88 23.83 -18.04 0.00 0.00
492
+ ATOM 492 C PTH 1 14.88 23.83 -17.04 0.00 0.00
493
+ ATOM 493 C PTH 1 14.88 23.83 -16.04 0.00 0.00
494
+ ATOM 494 C PTH 1 14.88 24.83 -28.04 0.00 0.00
495
+ ATOM 495 C PTH 1 14.88 24.83 -27.04 0.00 0.00
496
+ ATOM 496 C PTH 1 14.88 24.83 -26.04 0.00 0.00
497
+ ATOM 497 C PTH 1 14.88 24.83 -25.04 0.00 0.00
498
+ ATOM 498 C PTH 1 14.88 24.83 -24.04 0.00 0.00
499
+ ATOM 499 C PTH 1 14.88 24.83 -23.04 0.00 0.00
500
+ ATOM 500 C PTH 1 14.88 24.83 -22.04 0.00 0.00
501
+ ATOM 501 C PTH 1 14.88 24.83 -21.04 0.00 0.00
502
+ ATOM 502 C PTH 1 14.88 24.83 -20.04 0.00 0.00
503
+ ATOM 503 C PTH 1 14.88 24.83 -19.04 0.00 0.00
504
+ ATOM 504 C PTH 1 14.88 24.83 -18.04 0.00 0.00
505
+ ATOM 505 C PTH 1 14.88 24.83 -17.04 0.00 0.00
506
+ ATOM 506 C PTH 1 14.88 24.83 -16.04 0.00 0.00
507
+ ATOM 507 C PTH 1 14.88 25.83 -27.04 0.00 0.00
508
+ ATOM 508 C PTH 1 14.88 25.83 -26.04 0.00 0.00
509
+ ATOM 509 C PTH 1 14.88 25.83 -25.04 0.00 0.00
510
+ ATOM 510 C PTH 1 14.88 25.83 -24.04 0.00 0.00
511
+ ATOM 511 C PTH 1 14.88 25.83 -23.04 0.00 0.00
512
+ ATOM 512 C PTH 1 14.88 25.83 -22.04 0.00 0.00
513
+ ATOM 513 C PTH 1 14.88 25.83 -21.04 0.00 0.00
514
+ ATOM 514 C PTH 1 14.88 25.83 -20.04 0.00 0.00
515
+ ATOM 515 C PTH 1 14.88 25.83 -19.04 0.00 0.00
516
+ ATOM 516 C PTH 1 14.88 25.83 -18.04 0.00 0.00
517
+ ATOM 517 C PTH 1 14.88 25.83 -17.04 0.00 0.00
518
+ ATOM 518 C PTH 1 14.88 25.83 -16.04 0.00 0.00
519
+ ATOM 519 C PTH 1 14.88 26.83 -26.04 0.00 0.00
520
+ ATOM 520 C PTH 1 14.88 26.83 -25.04 0.00 0.00
521
+ ATOM 521 C PTH 1 14.88 26.83 -24.04 0.00 0.00
522
+ ATOM 522 C PTH 1 14.88 26.83 -23.04 0.00 0.00
523
+ ATOM 523 C PTH 1 14.88 26.83 -22.04 0.00 0.00
524
+ ATOM 524 C PTH 1 14.88 26.83 -21.04 0.00 0.00
525
+ ATOM 525 C PTH 1 14.88 26.83 -20.04 0.00 0.00
526
+ ATOM 526 C PTH 1 14.88 26.83 -19.04 0.00 0.00
527
+ ATOM 527 C PTH 1 14.88 26.83 -18.04 0.00 0.00
528
+ ATOM 528 C PTH 1 14.88 26.83 -17.04 0.00 0.00
529
+ ATOM 529 C PTH 1 14.88 26.83 -16.04 0.00 0.00
530
+ ATOM 530 C PTH 1 14.88 27.83 -26.04 0.00 0.00
531
+ ATOM 531 C PTH 1 14.88 27.83 -25.04 0.00 0.00
532
+ ATOM 532 C PTH 1 14.88 27.83 -24.04 0.00 0.00
533
+ ATOM 533 C PTH 1 14.88 27.83 -23.04 0.00 0.00
534
+ ATOM 534 C PTH 1 14.88 27.83 -22.04 0.00 0.00
535
+ ATOM 535 C PTH 1 14.88 27.83 -21.04 0.00 0.00
536
+ ATOM 536 C PTH 1 14.88 27.83 -20.04 0.00 0.00
537
+ ATOM 537 C PTH 1 14.88 27.83 -19.04 0.00 0.00
538
+ ATOM 538 C PTH 1 14.88 27.83 -18.04 0.00 0.00
539
+ ATOM 539 C PTH 1 14.88 27.83 -17.04 0.00 0.00
540
+ ATOM 540 C PTH 1 14.88 27.83 -16.04 0.00 0.00
541
+ ATOM 541 C PTH 1 14.88 28.83 -26.04 0.00 0.00
542
+ ATOM 542 C PTH 1 14.88 28.83 -25.04 0.00 0.00
543
+ ATOM 543 C PTH 1 14.88 28.83 -24.04 0.00 0.00
544
+ ATOM 544 C PTH 1 14.88 28.83 -23.04 0.00 0.00
545
+ ATOM 545 C PTH 1 14.88 28.83 -22.04 0.00 0.00
546
+ ATOM 546 C PTH 1 14.88 28.83 -21.04 0.00 0.00
547
+ ATOM 547 C PTH 1 14.88 28.83 -20.04 0.00 0.00
548
+ ATOM 548 C PTH 1 14.88 28.83 -19.04 0.00 0.00
549
+ ATOM 549 C PTH 1 14.88 28.83 -18.04 0.00 0.00
550
+ ATOM 550 C PTH 1 14.88 28.83 -17.04 0.00 0.00
551
+ ATOM 551 C PTH 1 14.88 28.83 -16.04 0.00 0.00
552
+ ATOM 552 C PTH 1 14.88 29.83 -27.04 0.00 0.00
553
+ ATOM 553 C PTH 1 14.88 29.83 -26.04 0.00 0.00
554
+ ATOM 554 C PTH 1 14.88 29.83 -25.04 0.00 0.00
555
+ ATOM 555 C PTH 1 14.88 29.83 -24.04 0.00 0.00
556
+ ATOM 556 C PTH 1 14.88 29.83 -23.04 0.00 0.00
557
+ ATOM 557 C PTH 1 14.88 29.83 -22.04 0.00 0.00
558
+ ATOM 558 C PTH 1 14.88 29.83 -19.04 0.00 0.00
559
+ ATOM 559 C PTH 1 14.88 29.83 -18.04 0.00 0.00
560
+ ATOM 560 C PTH 1 14.88 29.83 -17.04 0.00 0.00
561
+ ATOM 561 C PTH 1 14.88 30.83 -27.04 0.00 0.00
562
+ ATOM 562 C PTH 1 14.88 30.83 -26.04 0.00 0.00
563
+ ATOM 563 C PTH 1 14.88 30.83 -25.04 0.00 0.00
564
+ ATOM 564 C PTH 1 14.88 30.83 -24.04 0.00 0.00
565
+ ATOM 565 C PTH 1 14.88 30.83 -23.04 0.00 0.00
566
+ ATOM 566 C PTH 1 14.88 31.83 -27.04 0.00 0.00
567
+ ATOM 567 C PTH 1 14.88 31.83 -26.04 0.00 0.00
568
+ ATOM 568 C PTH 1 14.88 31.83 -25.04 0.00 0.00
569
+ ATOM 569 C PTH 1 14.88 31.83 -24.04 0.00 0.00
570
+ ATOM 570 C PTH 1 14.88 31.83 -23.04 0.00 0.00
571
+ ATOM 571 C PTH 1 14.88 32.83 -27.04 0.00 0.00
572
+ ATOM 572 C PTH 1 14.88 32.83 -26.04 0.00 0.00
573
+ ATOM 573 C PTH 1 14.88 32.83 -25.04 0.00 0.00
574
+ ATOM 574 C PTH 1 14.88 32.83 -24.04 0.00 0.00
575
+ ATOM 575 C PTH 1 14.88 32.83 -23.04 0.00 0.00
576
+ ATOM 576 C PTH 1 14.88 33.83 -25.04 0.00 0.00
577
+ ATOM 577 C PTH 1 15.88 19.83 -28.04 0.00 0.00
578
+ ATOM 578 C PTH 1 15.88 19.83 -27.04 0.00 0.00
579
+ ATOM 579 C PTH 1 15.88 19.83 -26.04 0.00 0.00
580
+ ATOM 580 C PTH 1 15.88 20.83 -28.04 0.00 0.00
581
+ ATOM 581 C PTH 1 15.88 20.83 -27.04 0.00 0.00
582
+ ATOM 582 C PTH 1 15.88 20.83 -26.04 0.00 0.00
583
+ ATOM 583 C PTH 1 15.88 20.83 -25.04 0.00 0.00
584
+ ATOM 584 C PTH 1 15.88 21.83 -29.04 0.00 0.00
585
+ ATOM 585 C PTH 1 15.88 21.83 -28.04 0.00 0.00
586
+ ATOM 586 C PTH 1 15.88 21.83 -27.04 0.00 0.00
587
+ ATOM 587 C PTH 1 15.88 21.83 -26.04 0.00 0.00
588
+ ATOM 588 C PTH 1 15.88 21.83 -25.04 0.00 0.00
589
+ ATOM 589 C PTH 1 15.88 21.83 -24.04 0.00 0.00
590
+ ATOM 590 C PTH 1 15.88 21.83 -23.04 0.00 0.00
591
+ ATOM 591 C PTH 1 15.88 21.83 -22.04 0.00 0.00
592
+ ATOM 592 C PTH 1 15.88 21.83 -21.04 0.00 0.00
593
+ ATOM 593 C PTH 1 15.88 21.83 -20.04 0.00 0.00
594
+ ATOM 594 C PTH 1 15.88 21.83 -19.04 0.00 0.00
595
+ ATOM 595 C PTH 1 15.88 21.83 -18.04 0.00 0.00
596
+ ATOM 596 C PTH 1 15.88 22.83 -28.04 0.00 0.00
597
+ ATOM 597 C PTH 1 15.88 22.83 -27.04 0.00 0.00
598
+ ATOM 598 C PTH 1 15.88 22.83 -26.04 0.00 0.00
599
+ ATOM 599 C PTH 1 15.88 22.83 -25.04 0.00 0.00
600
+ ATOM 600 C PTH 1 15.88 22.83 -24.04 0.00 0.00
601
+ ATOM 601 C PTH 1 15.88 22.83 -23.04 0.00 0.00
602
+ ATOM 602 C PTH 1 15.88 22.83 -22.04 0.00 0.00
603
+ ATOM 603 C PTH 1 15.88 22.83 -21.04 0.00 0.00
604
+ ATOM 604 C PTH 1 15.88 22.83 -20.04 0.00 0.00
605
+ ATOM 605 C PTH 1 15.88 22.83 -19.04 0.00 0.00
606
+ ATOM 606 C PTH 1 15.88 22.83 -18.04 0.00 0.00
607
+ ATOM 607 C PTH 1 15.88 22.83 -17.04 0.00 0.00
608
+ ATOM 608 C PTH 1 15.88 23.83 -28.04 0.00 0.00
609
+ ATOM 609 C PTH 1 15.88 23.83 -27.04 0.00 0.00
610
+ ATOM 610 C PTH 1 15.88 23.83 -26.04 0.00 0.00
611
+ ATOM 611 C PTH 1 15.88 23.83 -25.04 0.00 0.00
612
+ ATOM 612 C PTH 1 15.88 23.83 -24.04 0.00 0.00
613
+ ATOM 613 C PTH 1 15.88 23.83 -23.04 0.00 0.00
614
+ ATOM 614 C PTH 1 15.88 23.83 -22.04 0.00 0.00
615
+ ATOM 615 C PTH 1 15.88 23.83 -21.04 0.00 0.00
616
+ ATOM 616 C PTH 1 15.88 23.83 -20.04 0.00 0.00
617
+ ATOM 617 C PTH 1 15.88 23.83 -19.04 0.00 0.00
618
+ ATOM 618 C PTH 1 15.88 23.83 -18.04 0.00 0.00
619
+ ATOM 619 C PTH 1 15.88 23.83 -17.04 0.00 0.00
620
+ ATOM 620 C PTH 1 15.88 23.83 -16.04 0.00 0.00
621
+ ATOM 621 C PTH 1 15.88 24.83 -28.04 0.00 0.00
622
+ ATOM 622 C PTH 1 15.88 24.83 -27.04 0.00 0.00
623
+ ATOM 623 C PTH 1 15.88 24.83 -26.04 0.00 0.00
624
+ ATOM 624 C PTH 1 15.88 24.83 -25.04 0.00 0.00
625
+ ATOM 625 C PTH 1 15.88 24.83 -24.04 0.00 0.00
626
+ ATOM 626 C PTH 1 15.88 24.83 -23.04 0.00 0.00
627
+ ATOM 627 C PTH 1 15.88 24.83 -22.04 0.00 0.00
628
+ ATOM 628 C PTH 1 15.88 24.83 -21.04 0.00 0.00
629
+ ATOM 629 C PTH 1 15.88 24.83 -20.04 0.00 0.00
630
+ ATOM 630 C PTH 1 15.88 24.83 -19.04 0.00 0.00
631
+ ATOM 631 C PTH 1 15.88 24.83 -18.04 0.00 0.00
632
+ ATOM 632 C PTH 1 15.88 24.83 -17.04 0.00 0.00
633
+ ATOM 633 C PTH 1 15.88 24.83 -16.04 0.00 0.00
634
+ ATOM 634 C PTH 1 15.88 25.83 -27.04 0.00 0.00
635
+ ATOM 635 C PTH 1 15.88 25.83 -26.04 0.00 0.00
636
+ ATOM 636 C PTH 1 15.88 25.83 -25.04 0.00 0.00
637
+ ATOM 637 C PTH 1 15.88 25.83 -24.04 0.00 0.00
638
+ ATOM 638 C PTH 1 15.88 25.83 -23.04 0.00 0.00
639
+ ATOM 639 C PTH 1 15.88 25.83 -22.04 0.00 0.00
640
+ ATOM 640 C PTH 1 15.88 25.83 -21.04 0.00 0.00
641
+ ATOM 641 C PTH 1 15.88 25.83 -20.04 0.00 0.00
642
+ ATOM 642 C PTH 1 15.88 25.83 -19.04 0.00 0.00
643
+ ATOM 643 C PTH 1 15.88 25.83 -18.04 0.00 0.00
644
+ ATOM 644 C PTH 1 15.88 25.83 -17.04 0.00 0.00
645
+ ATOM 645 C PTH 1 15.88 25.83 -16.04 0.00 0.00
646
+ ATOM 646 C PTH 1 15.88 26.83 -27.04 0.00 0.00
647
+ ATOM 647 C PTH 1 15.88 26.83 -26.04 0.00 0.00
648
+ ATOM 648 C PTH 1 15.88 26.83 -25.04 0.00 0.00
649
+ ATOM 649 C PTH 1 15.88 26.83 -24.04 0.00 0.00
650
+ ATOM 650 C PTH 1 15.88 26.83 -23.04 0.00 0.00
651
+ ATOM 651 C PTH 1 15.88 26.83 -22.04 0.00 0.00
652
+ ATOM 652 C PTH 1 15.88 26.83 -21.04 0.00 0.00
653
+ ATOM 653 C PTH 1 15.88 26.83 -20.04 0.00 0.00
654
+ ATOM 654 C PTH 1 15.88 26.83 -19.04 0.00 0.00
655
+ ATOM 655 C PTH 1 15.88 26.83 -18.04 0.00 0.00
656
+ ATOM 656 C PTH 1 15.88 26.83 -17.04 0.00 0.00
657
+ ATOM 657 C PTH 1 15.88 26.83 -16.04 0.00 0.00
658
+ ATOM 658 C PTH 1 15.88 27.83 -26.04 0.00 0.00
659
+ ATOM 659 C PTH 1 15.88 27.83 -25.04 0.00 0.00
660
+ ATOM 660 C PTH 1 15.88 27.83 -24.04 0.00 0.00
661
+ ATOM 661 C PTH 1 15.88 27.83 -23.04 0.00 0.00
662
+ ATOM 662 C PTH 1 15.88 27.83 -22.04 0.00 0.00
663
+ ATOM 663 C PTH 1 15.88 27.83 -21.04 0.00 0.00
664
+ ATOM 664 C PTH 1 15.88 27.83 -19.04 0.00 0.00
665
+ ATOM 665 C PTH 1 15.88 27.83 -18.04 0.00 0.00
666
+ ATOM 666 C PTH 1 15.88 27.83 -17.04 0.00 0.00
667
+ ATOM 667 C PTH 1 15.88 27.83 -16.04 0.00 0.00
668
+ ATOM 668 C PTH 1 15.88 28.83 -27.04 0.00 0.00
669
+ ATOM 669 C PTH 1 15.88 28.83 -26.04 0.00 0.00
670
+ ATOM 670 C PTH 1 15.88 28.83 -25.04 0.00 0.00
671
+ ATOM 671 C PTH 1 15.88 28.83 -24.04 0.00 0.00
672
+ ATOM 672 C PTH 1 15.88 28.83 -23.04 0.00 0.00
673
+ ATOM 673 C PTH 1 15.88 28.83 -22.04 0.00 0.00
674
+ ATOM 674 C PTH 1 15.88 29.83 -27.04 0.00 0.00
675
+ ATOM 675 C PTH 1 15.88 29.83 -26.04 0.00 0.00
676
+ ATOM 676 C PTH 1 15.88 29.83 -25.04 0.00 0.00
677
+ ATOM 677 C PTH 1 15.88 29.83 -24.04 0.00 0.00
678
+ ATOM 678 C PTH 1 15.88 29.83 -23.04 0.00 0.00
679
+ ATOM 679 C PTH 1 15.88 30.83 -27.04 0.00 0.00
680
+ ATOM 680 C PTH 1 15.88 30.83 -26.04 0.00 0.00
681
+ ATOM 681 C PTH 1 15.88 30.83 -25.04 0.00 0.00
682
+ ATOM 682 C PTH 1 15.88 30.83 -24.04 0.00 0.00
683
+ ATOM 683 C PTH 1 15.88 31.83 -28.04 0.00 0.00
684
+ ATOM 684 C PTH 1 15.88 31.83 -27.04 0.00 0.00
685
+ ATOM 685 C PTH 1 15.88 31.83 -26.04 0.00 0.00
686
+ ATOM 686 C PTH 1 15.88 31.83 -25.04 0.00 0.00
687
+ ATOM 687 C PTH 1 15.88 31.83 -24.04 0.00 0.00
688
+ ATOM 688 C PTH 1 15.88 32.83 -28.04 0.00 0.00
689
+ ATOM 689 C PTH 1 15.88 32.83 -27.04 0.00 0.00
690
+ ATOM 690 C PTH 1 15.88 32.83 -26.04 0.00 0.00
691
+ ATOM 691 C PTH 1 15.88 32.83 -25.04 0.00 0.00
692
+ ATOM 692 C PTH 1 15.88 32.83 -24.04 0.00 0.00
693
+ ATOM 693 C PTH 1 15.88 33.83 -26.04 0.00 0.00
694
+ ATOM 694 C PTH 1 15.88 33.83 -25.04 0.00 0.00
695
+ ATOM 695 C PTH 1 16.88 20.83 -27.04 0.00 0.00
696
+ ATOM 696 C PTH 1 16.88 21.83 -28.04 0.00 0.00
697
+ ATOM 697 C PTH 1 16.88 21.83 -27.04 0.00 0.00
698
+ ATOM 698 C PTH 1 16.88 21.83 -26.04 0.00 0.00
699
+ ATOM 699 C PTH 1 16.88 21.83 -25.04 0.00 0.00
700
+ ATOM 700 C PTH 1 16.88 21.83 -24.04 0.00 0.00
701
+ ATOM 701 C PTH 1 16.88 21.83 -23.04 0.00 0.00
702
+ ATOM 702 C PTH 1 16.88 21.83 -22.04 0.00 0.00
703
+ ATOM 703 C PTH 1 16.88 21.83 -21.04 0.00 0.00
704
+ ATOM 704 C PTH 1 16.88 22.83 -28.04 0.00 0.00
705
+ ATOM 705 C PTH 1 16.88 22.83 -27.04 0.00 0.00
706
+ ATOM 706 C PTH 1 16.88 22.83 -26.04 0.00 0.00
707
+ ATOM 707 C PTH 1 16.88 22.83 -25.04 0.00 0.00
708
+ ATOM 708 C PTH 1 16.88 22.83 -24.04 0.00 0.00
709
+ ATOM 709 C PTH 1 16.88 22.83 -23.04 0.00 0.00
710
+ ATOM 710 C PTH 1 16.88 22.83 -22.04 0.00 0.00
711
+ ATOM 711 C PTH 1 16.88 22.83 -21.04 0.00 0.00
712
+ ATOM 712 C PTH 1 16.88 22.83 -20.04 0.00 0.00
713
+ ATOM 713 C PTH 1 16.88 22.83 -19.04 0.00 0.00
714
+ ATOM 714 C PTH 1 16.88 22.83 -18.04 0.00 0.00
715
+ ATOM 715 C PTH 1 16.88 22.83 -17.04 0.00 0.00
716
+ ATOM 716 C PTH 1 16.88 23.83 -27.04 0.00 0.00
717
+ ATOM 717 C PTH 1 16.88 23.83 -26.04 0.00 0.00
718
+ ATOM 718 C PTH 1 16.88 23.83 -25.04 0.00 0.00
719
+ ATOM 719 C PTH 1 16.88 23.83 -24.04 0.00 0.00
720
+ ATOM 720 C PTH 1 16.88 23.83 -23.04 0.00 0.00
721
+ ATOM 721 C PTH 1 16.88 23.83 -22.04 0.00 0.00
722
+ ATOM 722 C PTH 1 16.88 23.83 -21.04 0.00 0.00
723
+ ATOM 723 C PTH 1 16.88 23.83 -20.04 0.00 0.00
724
+ ATOM 724 C PTH 1 16.88 23.83 -19.04 0.00 0.00
725
+ ATOM 725 C PTH 1 16.88 23.83 -18.04 0.00 0.00
726
+ ATOM 726 C PTH 1 16.88 23.83 -17.04 0.00 0.00
727
+ ATOM 727 C PTH 1 16.88 23.83 -16.04 0.00 0.00
728
+ ATOM 728 C PTH 1 16.88 24.83 -27.04 0.00 0.00
729
+ ATOM 729 C PTH 1 16.88 24.83 -26.04 0.00 0.00
730
+ ATOM 730 C PTH 1 16.88 24.83 -25.04 0.00 0.00
731
+ ATOM 731 C PTH 1 16.88 24.83 -24.04 0.00 0.00
732
+ ATOM 732 C PTH 1 16.88 24.83 -23.04 0.00 0.00
733
+ ATOM 733 C PTH 1 16.88 24.83 -22.04 0.00 0.00
734
+ ATOM 734 C PTH 1 16.88 24.83 -21.04 0.00 0.00
735
+ ATOM 735 C PTH 1 16.88 24.83 -20.04 0.00 0.00
736
+ ATOM 736 C PTH 1 16.88 24.83 -19.04 0.00 0.00
737
+ ATOM 737 C PTH 1 16.88 24.83 -18.04 0.00 0.00
738
+ ATOM 738 C PTH 1 16.88 24.83 -17.04 0.00 0.00
739
+ ATOM 739 C PTH 1 16.88 24.83 -16.04 0.00 0.00
740
+ ATOM 740 C PTH 1 16.88 24.83 -15.04 0.00 0.00
741
+ ATOM 741 C PTH 1 16.88 25.83 -27.04 0.00 0.00
742
+ ATOM 742 C PTH 1 16.88 25.83 -26.04 0.00 0.00
743
+ ATOM 743 C PTH 1 16.88 25.83 -25.04 0.00 0.00
744
+ ATOM 744 C PTH 1 16.88 25.83 -24.04 0.00 0.00
745
+ ATOM 745 C PTH 1 16.88 25.83 -23.04 0.00 0.00
746
+ ATOM 746 C PTH 1 16.88 25.83 -22.04 0.00 0.00
747
+ ATOM 747 C PTH 1 16.88 25.83 -21.04 0.00 0.00
748
+ ATOM 748 C PTH 1 16.88 25.83 -20.04 0.00 0.00
749
+ ATOM 749 C PTH 1 16.88 25.83 -19.04 0.00 0.00
750
+ ATOM 750 C PTH 1 16.88 25.83 -18.04 0.00 0.00
751
+ ATOM 751 C PTH 1 16.88 25.83 -17.04 0.00 0.00
752
+ ATOM 752 C PTH 1 16.88 25.83 -16.04 0.00 0.00
753
+ ATOM 753 C PTH 1 16.88 25.83 -15.04 0.00 0.00
754
+ ATOM 754 C PTH 1 16.88 26.83 -27.04 0.00 0.00
755
+ ATOM 755 C PTH 1 16.88 26.83 -26.04 0.00 0.00
756
+ ATOM 756 C PTH 1 16.88 26.83 -25.04 0.00 0.00
757
+ ATOM 757 C PTH 1 16.88 26.83 -24.04 0.00 0.00
758
+ ATOM 758 C PTH 1 16.88 26.83 -23.04 0.00 0.00
759
+ ATOM 759 C PTH 1 16.88 26.83 -22.04 0.00 0.00
760
+ ATOM 760 C PTH 1 16.88 26.83 -21.04 0.00 0.00
761
+ ATOM 761 C PTH 1 16.88 26.83 -20.04 0.00 0.00
762
+ ATOM 762 C PTH 1 16.88 26.83 -19.04 0.00 0.00
763
+ ATOM 763 C PTH 1 16.88 26.83 -18.04 0.00 0.00
764
+ ATOM 764 C PTH 1 16.88 26.83 -17.04 0.00 0.00
765
+ ATOM 765 C PTH 1 16.88 26.83 -16.04 0.00 0.00
766
+ ATOM 766 C PTH 1 16.88 26.83 -15.04 0.00 0.00
767
+ ATOM 767 C PTH 1 16.88 27.83 -27.04 0.00 0.00
768
+ ATOM 768 C PTH 1 16.88 27.83 -26.04 0.00 0.00
769
+ ATOM 769 C PTH 1 16.88 27.83 -25.04 0.00 0.00
770
+ ATOM 770 C PTH 1 16.88 27.83 -24.04 0.00 0.00
771
+ ATOM 771 C PTH 1 16.88 27.83 -23.04 0.00 0.00
772
+ ATOM 772 C PTH 1 16.88 27.83 -22.04 0.00 0.00
773
+ ATOM 773 C PTH 1 16.88 27.83 -17.04 0.00 0.00
774
+ ATOM 774 C PTH 1 16.88 27.83 -16.04 0.00 0.00
775
+ ATOM 775 C PTH 1 16.88 28.83 -27.04 0.00 0.00
776
+ ATOM 776 C PTH 1 16.88 28.83 -26.04 0.00 0.00
777
+ ATOM 777 C PTH 1 16.88 28.83 -25.04 0.00 0.00
778
+ ATOM 778 C PTH 1 16.88 28.83 -24.04 0.00 0.00
779
+ ATOM 779 C PTH 1 16.88 28.83 -23.04 0.00 0.00
780
+ ATOM 780 C PTH 1 16.88 29.83 -27.04 0.00 0.00
781
+ ATOM 781 C PTH 1 16.88 29.83 -26.04 0.00 0.00
782
+ ATOM 782 C PTH 1 16.88 29.83 -25.04 0.00 0.00
783
+ ATOM 783 C PTH 1 16.88 29.83 -24.04 0.00 0.00
784
+ ATOM 784 C PTH 1 16.88 30.83 -27.04 0.00 0.00
785
+ ATOM 785 C PTH 1 16.88 30.83 -26.04 0.00 0.00
786
+ ATOM 786 C PTH 1 16.88 30.83 -25.04 0.00 0.00
787
+ ATOM 787 C PTH 1 16.88 30.83 -24.04 0.00 0.00
788
+ ATOM 788 C PTH 1 16.88 31.83 -28.04 0.00 0.00
789
+ ATOM 789 C PTH 1 16.88 31.83 -27.04 0.00 0.00
790
+ ATOM 790 C PTH 1 16.88 31.83 -26.04 0.00 0.00
791
+ ATOM 791 C PTH 1 16.88 31.83 -25.04 0.00 0.00
792
+ ATOM 792 C PTH 1 16.88 31.83 -24.04 0.00 0.00
793
+ ATOM 793 C PTH 1 16.88 32.83 -28.04 0.00 0.00
794
+ ATOM 794 C PTH 1 16.88 32.83 -27.04 0.00 0.00
795
+ ATOM 795 C PTH 1 16.88 32.83 -26.04 0.00 0.00
796
+ ATOM 796 C PTH 1 16.88 32.83 -25.04 0.00 0.00
797
+ ATOM 797 C PTH 1 16.88 33.83 -27.04 0.00 0.00
798
+ ATOM 798 C PTH 1 16.88 33.83 -26.04 0.00 0.00
799
+ ATOM 799 C PTH 1 16.88 33.83 -25.04 0.00 0.00
800
+ ATOM 800 C PTH 1 17.88 21.83 -23.04 0.00 0.00
801
+ ATOM 801 C PTH 1 17.88 21.83 -22.04 0.00 0.00
802
+ ATOM 802 C PTH 1 17.88 21.83 -21.04 0.00 0.00
803
+ ATOM 803 C PTH 1 17.88 22.83 -24.04 0.00 0.00
804
+ ATOM 804 C PTH 1 17.88 22.83 -23.04 0.00 0.00
805
+ ATOM 805 C PTH 1 17.88 22.83 -22.04 0.00 0.00
806
+ ATOM 806 C PTH 1 17.88 22.83 -21.04 0.00 0.00
807
+ ATOM 807 C PTH 1 17.88 22.83 -20.04 0.00 0.00
808
+ ATOM 808 C PTH 1 17.88 22.83 -19.04 0.00 0.00
809
+ ATOM 809 C PTH 1 17.88 22.83 -18.04 0.00 0.00
810
+ ATOM 810 C PTH 1 17.88 23.83 -24.04 0.00 0.00
811
+ ATOM 811 C PTH 1 17.88 23.83 -23.04 0.00 0.00
812
+ ATOM 812 C PTH 1 17.88 23.83 -22.04 0.00 0.00
813
+ ATOM 813 C PTH 1 17.88 23.83 -21.04 0.00 0.00
814
+ ATOM 814 C PTH 1 17.88 23.83 -20.04 0.00 0.00
815
+ ATOM 815 C PTH 1 17.88 23.83 -19.04 0.00 0.00
816
+ ATOM 816 C PTH 1 17.88 23.83 -18.04 0.00 0.00
817
+ ATOM 817 C PTH 1 17.88 23.83 -17.04 0.00 0.00
818
+ ATOM 818 C PTH 1 17.88 23.83 -16.04 0.00 0.00
819
+ ATOM 819 C PTH 1 17.88 24.83 -25.04 0.00 0.00
820
+ ATOM 820 C PTH 1 17.88 24.83 -24.04 0.00 0.00
821
+ ATOM 821 C PTH 1 17.88 24.83 -23.04 0.00 0.00
822
+ ATOM 822 C PTH 1 17.88 24.83 -22.04 0.00 0.00
823
+ ATOM 823 C PTH 1 17.88 24.83 -21.04 0.00 0.00
824
+ ATOM 824 C PTH 1 17.88 24.83 -20.04 0.00 0.00
825
+ ATOM 825 C PTH 1 17.88 24.83 -19.04 0.00 0.00
826
+ ATOM 826 C PTH 1 17.88 24.83 -18.04 0.00 0.00
827
+ ATOM 827 C PTH 1 17.88 24.83 -17.04 0.00 0.00
828
+ ATOM 828 C PTH 1 17.88 24.83 -16.04 0.00 0.00
829
+ ATOM 829 C PTH 1 17.88 25.83 -26.04 0.00 0.00
830
+ ATOM 830 C PTH 1 17.88 25.83 -25.04 0.00 0.00
831
+ ATOM 831 C PTH 1 17.88 25.83 -24.04 0.00 0.00
832
+ ATOM 832 C PTH 1 17.88 25.83 -23.04 0.00 0.00
833
+ ATOM 833 C PTH 1 17.88 25.83 -22.04 0.00 0.00
834
+ ATOM 834 C PTH 1 17.88 25.83 -21.04 0.00 0.00
835
+ ATOM 835 C PTH 1 17.88 25.83 -20.04 0.00 0.00
836
+ ATOM 836 C PTH 1 17.88 25.83 -19.04 0.00 0.00
837
+ ATOM 837 C PTH 1 17.88 25.83 -18.04 0.00 0.00
838
+ ATOM 838 C PTH 1 17.88 25.83 -17.04 0.00 0.00
839
+ ATOM 839 C PTH 1 17.88 25.83 -16.04 0.00 0.00
840
+ ATOM 840 C PTH 1 17.88 25.83 -15.04 0.00 0.00
841
+ ATOM 841 C PTH 1 17.88 26.83 -26.04 0.00 0.00
842
+ ATOM 842 C PTH 1 17.88 26.83 -25.04 0.00 0.00
843
+ ATOM 843 C PTH 1 17.88 26.83 -24.04 0.00 0.00
844
+ ATOM 844 C PTH 1 17.88 26.83 -23.04 0.00 0.00
845
+ ATOM 845 C PTH 1 17.88 26.83 -22.04 0.00 0.00
846
+ ATOM 846 C PTH 1 17.88 26.83 -21.04 0.00 0.00
847
+ ATOM 847 C PTH 1 17.88 26.83 -18.04 0.00 0.00
848
+ ATOM 848 C PTH 1 17.88 26.83 -17.04 0.00 0.00
849
+ ATOM 849 C PTH 1 17.88 26.83 -16.04 0.00 0.00
850
+ ATOM 850 C PTH 1 17.88 27.83 -26.04 0.00 0.00
851
+ ATOM 851 C PTH 1 17.88 27.83 -25.04 0.00 0.00
852
+ ATOM 852 C PTH 1 17.88 27.83 -24.04 0.00 0.00
853
+ ATOM 853 C PTH 1 17.88 27.83 -23.04 0.00 0.00
854
+ ATOM 854 C PTH 1 17.88 27.83 -16.04 0.00 0.00
855
+ ATOM 855 C PTH 1 17.88 28.83 -26.04 0.00 0.00
856
+ ATOM 856 C PTH 1 17.88 28.83 -25.04 0.00 0.00
857
+ ATOM 857 C PTH 1 17.88 28.83 -24.04 0.00 0.00
858
+ ATOM 858 C PTH 1 17.88 29.83 -27.04 0.00 0.00
859
+ ATOM 859 C PTH 1 17.88 29.83 -26.04 0.00 0.00
860
+ ATOM 860 C PTH 1 17.88 29.83 -25.04 0.00 0.00
861
+ ATOM 861 C PTH 1 17.88 29.83 -24.04 0.00 0.00
862
+ ATOM 862 C PTH 1 17.88 30.83 -27.04 0.00 0.00
863
+ ATOM 863 C PTH 1 17.88 30.83 -26.04 0.00 0.00
864
+ ATOM 864 C PTH 1 17.88 30.83 -25.04 0.00 0.00
865
+ ATOM 865 C PTH 1 17.88 30.83 -24.04 0.00 0.00
866
+ ATOM 866 C PTH 1 17.88 31.83 -27.04 0.00 0.00
867
+ ATOM 867 C PTH 1 17.88 31.83 -26.04 0.00 0.00
868
+ ATOM 868 C PTH 1 17.88 31.83 -25.04 0.00 0.00
869
+ ATOM 869 C PTH 1 17.88 32.83 -27.04 0.00 0.00
870
+ ATOM 870 C PTH 1 17.88 32.83 -26.04 0.00 0.00
871
+ ATOM 871 C PTH 1 17.88 32.83 -25.04 0.00 0.00
872
+ ATOM 872 C PTH 1 17.88 33.83 -27.04 0.00 0.00
873
+ ATOM 873 C PTH 1 17.88 33.83 -26.04 0.00 0.00
874
+ ATOM 874 C PTH 1 18.88 21.83 -22.04 0.00 0.00
875
+ ATOM 875 C PTH 1 18.88 21.83 -21.04 0.00 0.00
876
+ ATOM 876 C PTH 1 18.88 22.83 -23.04 0.00 0.00
877
+ ATOM 877 C PTH 1 18.88 22.83 -22.04 0.00 0.00
878
+ ATOM 878 C PTH 1 18.88 22.83 -21.04 0.00 0.00
879
+ ATOM 879 C PTH 1 18.88 22.83 -20.04 0.00 0.00
880
+ ATOM 880 C PTH 1 18.88 22.83 -19.04 0.00 0.00
881
+ ATOM 881 C PTH 1 18.88 23.83 -23.04 0.00 0.00
882
+ ATOM 882 C PTH 1 18.88 23.83 -22.04 0.00 0.00
883
+ ATOM 883 C PTH 1 18.88 23.83 -21.04 0.00 0.00
884
+ ATOM 884 C PTH 1 18.88 23.83 -20.04 0.00 0.00
885
+ ATOM 885 C PTH 1 18.88 23.83 -19.04 0.00 0.00
886
+ ATOM 886 C PTH 1 18.88 23.83 -18.04 0.00 0.00
887
+ ATOM 887 C PTH 1 18.88 23.83 -17.04 0.00 0.00
888
+ ATOM 888 C PTH 1 18.88 24.83 -23.04 0.00 0.00
889
+ ATOM 889 C PTH 1 18.88 24.83 -22.04 0.00 0.00
890
+ ATOM 890 C PTH 1 18.88 24.83 -21.04 0.00 0.00
891
+ ATOM 891 C PTH 1 18.88 24.83 -20.04 0.00 0.00
892
+ ATOM 892 C PTH 1 18.88 24.83 -19.04 0.00 0.00
893
+ ATOM 893 C PTH 1 18.88 24.83 -18.04 0.00 0.00
894
+ ATOM 894 C PTH 1 18.88 24.83 -17.04 0.00 0.00
895
+ ATOM 895 C PTH 1 18.88 25.83 -22.04 0.00 0.00
896
+ ATOM 896 C PTH 1 18.88 25.83 -21.04 0.00 0.00
897
+ ATOM 897 C PTH 1 18.88 25.83 -20.04 0.00 0.00
898
+ ATOM 898 C PTH 1 18.88 25.83 -19.04 0.00 0.00
899
+ ATOM 899 C PTH 1 18.88 30.83 -26.04 0.00 0.00
900
+ ATOM 900 C PTH 1 19.88 23.83 -20.04 0.00 0.00
901
+ ATOM 901 C PTH 1 19.88 23.83 -19.04 0.00 0.00
902
+ ATOM 902 C PTH 1 19.88 24.83 -20.04 0.00 0.00
data/files/A000K/pocket_02.pdb ADDED
@@ -0,0 +1,315 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 4.88 31.83 -40.04 0.00 0.00
2
+ ATOM 2 C PTH 1 4.88 31.83 -39.04 0.00 0.00
3
+ ATOM 3 C PTH 1 4.88 31.83 -38.04 0.00 0.00
4
+ ATOM 4 C PTH 1 4.88 31.83 -37.04 0.00 0.00
5
+ ATOM 5 C PTH 1 4.88 32.83 -40.04 0.00 0.00
6
+ ATOM 6 C PTH 1 4.88 32.83 -39.04 0.00 0.00
7
+ ATOM 7 C PTH 1 4.88 32.83 -38.04 0.00 0.00
8
+ ATOM 8 C PTH 1 4.88 32.83 -37.04 0.00 0.00
9
+ ATOM 9 C PTH 1 4.88 32.83 -36.04 0.00 0.00
10
+ ATOM 10 C PTH 1 4.88 33.83 -39.04 0.00 0.00
11
+ ATOM 11 C PTH 1 4.88 33.83 -38.04 0.00 0.00
12
+ ATOM 12 C PTH 1 4.88 33.83 -37.04 0.00 0.00
13
+ ATOM 13 C PTH 1 4.88 33.83 -36.04 0.00 0.00
14
+ ATOM 14 C PTH 1 4.88 33.83 -35.04 0.00 0.00
15
+ ATOM 15 C PTH 1 4.88 34.83 -39.04 0.00 0.00
16
+ ATOM 16 C PTH 1 4.88 34.83 -38.04 0.00 0.00
17
+ ATOM 17 C PTH 1 4.88 34.83 -37.04 0.00 0.00
18
+ ATOM 18 C PTH 1 4.88 34.83 -36.04 0.00 0.00
19
+ ATOM 19 C PTH 1 4.88 34.83 -35.04 0.00 0.00
20
+ ATOM 20 C PTH 1 4.88 35.83 -38.04 0.00 0.00
21
+ ATOM 21 C PTH 1 4.88 35.83 -37.04 0.00 0.00
22
+ ATOM 22 C PTH 1 4.88 35.83 -36.04 0.00 0.00
23
+ ATOM 23 C PTH 1 4.88 35.83 -35.04 0.00 0.00
24
+ ATOM 24 C PTH 1 4.88 36.83 -37.04 0.00 0.00
25
+ ATOM 25 C PTH 1 4.88 36.83 -36.04 0.00 0.00
26
+ ATOM 26 C PTH 1 4.88 37.83 -37.04 0.00 0.00
27
+ ATOM 27 C PTH 1 4.88 37.83 -36.04 0.00 0.00
28
+ ATOM 28 C PTH 1 4.88 38.83 -37.04 0.00 0.00
29
+ ATOM 29 C PTH 1 4.88 38.83 -36.04 0.00 0.00
30
+ ATOM 30 C PTH 1 4.88 39.83 -36.04 0.00 0.00
31
+ ATOM 31 C PTH 1 5.88 30.83 -40.04 0.00 0.00
32
+ ATOM 32 C PTH 1 5.88 30.83 -39.04 0.00 0.00
33
+ ATOM 33 C PTH 1 5.88 30.83 -38.04 0.00 0.00
34
+ ATOM 34 C PTH 1 5.88 31.83 -40.04 0.00 0.00
35
+ ATOM 35 C PTH 1 5.88 31.83 -39.04 0.00 0.00
36
+ ATOM 36 C PTH 1 5.88 31.83 -38.04 0.00 0.00
37
+ ATOM 37 C PTH 1 5.88 31.83 -37.04 0.00 0.00
38
+ ATOM 38 C PTH 1 5.88 31.83 -36.04 0.00 0.00
39
+ ATOM 39 C PTH 1 5.88 32.83 -41.04 0.00 0.00
40
+ ATOM 40 C PTH 1 5.88 32.83 -40.04 0.00 0.00
41
+ ATOM 41 C PTH 1 5.88 32.83 -39.04 0.00 0.00
42
+ ATOM 42 C PTH 1 5.88 32.83 -38.04 0.00 0.00
43
+ ATOM 43 C PTH 1 5.88 32.83 -37.04 0.00 0.00
44
+ ATOM 44 C PTH 1 5.88 32.83 -36.04 0.00 0.00
45
+ ATOM 45 C PTH 1 5.88 33.83 -40.04 0.00 0.00
46
+ ATOM 46 C PTH 1 5.88 33.83 -39.04 0.00 0.00
47
+ ATOM 47 C PTH 1 5.88 33.83 -38.04 0.00 0.00
48
+ ATOM 48 C PTH 1 5.88 33.83 -37.04 0.00 0.00
49
+ ATOM 49 C PTH 1 5.88 33.83 -36.04 0.00 0.00
50
+ ATOM 50 C PTH 1 5.88 33.83 -35.04 0.00 0.00
51
+ ATOM 51 C PTH 1 5.88 33.83 -34.04 0.00 0.00
52
+ ATOM 52 C PTH 1 5.88 34.83 -40.04 0.00 0.00
53
+ ATOM 53 C PTH 1 5.88 34.83 -39.04 0.00 0.00
54
+ ATOM 54 C PTH 1 5.88 34.83 -38.04 0.00 0.00
55
+ ATOM 55 C PTH 1 5.88 34.83 -37.04 0.00 0.00
56
+ ATOM 56 C PTH 1 5.88 34.83 -36.04 0.00 0.00
57
+ ATOM 57 C PTH 1 5.88 34.83 -35.04 0.00 0.00
58
+ ATOM 58 C PTH 1 5.88 34.83 -34.04 0.00 0.00
59
+ ATOM 59 C PTH 1 5.88 35.83 -39.04 0.00 0.00
60
+ ATOM 60 C PTH 1 5.88 35.83 -38.04 0.00 0.00
61
+ ATOM 61 C PTH 1 5.88 35.83 -37.04 0.00 0.00
62
+ ATOM 62 C PTH 1 5.88 35.83 -36.04 0.00 0.00
63
+ ATOM 63 C PTH 1 5.88 35.83 -35.04 0.00 0.00
64
+ ATOM 64 C PTH 1 5.88 35.83 -34.04 0.00 0.00
65
+ ATOM 65 C PTH 1 5.88 36.83 -39.04 0.00 0.00
66
+ ATOM 66 C PTH 1 5.88 36.83 -38.04 0.00 0.00
67
+ ATOM 67 C PTH 1 5.88 36.83 -37.04 0.00 0.00
68
+ ATOM 68 C PTH 1 5.88 36.83 -36.04 0.00 0.00
69
+ ATOM 69 C PTH 1 5.88 36.83 -35.04 0.00 0.00
70
+ ATOM 70 C PTH 1 5.88 36.83 -34.04 0.00 0.00
71
+ ATOM 71 C PTH 1 5.88 37.83 -38.04 0.00 0.00
72
+ ATOM 72 C PTH 1 5.88 37.83 -37.04 0.00 0.00
73
+ ATOM 73 C PTH 1 5.88 37.83 -36.04 0.00 0.00
74
+ ATOM 74 C PTH 1 5.88 37.83 -35.04 0.00 0.00
75
+ ATOM 75 C PTH 1 5.88 37.83 -34.04 0.00 0.00
76
+ ATOM 76 C PTH 1 5.88 38.83 -38.04 0.00 0.00
77
+ ATOM 77 C PTH 1 5.88 38.83 -37.04 0.00 0.00
78
+ ATOM 78 C PTH 1 5.88 38.83 -36.04 0.00 0.00
79
+ ATOM 79 C PTH 1 5.88 38.83 -35.04 0.00 0.00
80
+ ATOM 80 C PTH 1 5.88 38.83 -34.04 0.00 0.00
81
+ ATOM 81 C PTH 1 5.88 39.83 -37.04 0.00 0.00
82
+ ATOM 82 C PTH 1 5.88 39.83 -36.04 0.00 0.00
83
+ ATOM 83 C PTH 1 5.88 39.83 -35.04 0.00 0.00
84
+ ATOM 84 C PTH 1 5.88 39.83 -34.04 0.00 0.00
85
+ ATOM 85 C PTH 1 5.88 40.83 -37.04 0.00 0.00
86
+ ATOM 86 C PTH 1 5.88 40.83 -36.04 0.00 0.00
87
+ ATOM 87 C PTH 1 5.88 40.83 -35.04 0.00 0.00
88
+ ATOM 88 C PTH 1 5.88 40.83 -34.04 0.00 0.00
89
+ ATOM 89 C PTH 1 6.88 30.83 -40.04 0.00 0.00
90
+ ATOM 90 C PTH 1 6.88 30.83 -39.04 0.00 0.00
91
+ ATOM 91 C PTH 1 6.88 30.83 -38.04 0.00 0.00
92
+ ATOM 92 C PTH 1 6.88 31.83 -41.04 0.00 0.00
93
+ ATOM 93 C PTH 1 6.88 31.83 -40.04 0.00 0.00
94
+ ATOM 94 C PTH 1 6.88 31.83 -39.04 0.00 0.00
95
+ ATOM 95 C PTH 1 6.88 31.83 -38.04 0.00 0.00
96
+ ATOM 96 C PTH 1 6.88 31.83 -37.04 0.00 0.00
97
+ ATOM 97 C PTH 1 6.88 31.83 -36.04 0.00 0.00
98
+ ATOM 98 C PTH 1 6.88 32.83 -41.04 0.00 0.00
99
+ ATOM 99 C PTH 1 6.88 32.83 -40.04 0.00 0.00
100
+ ATOM 100 C PTH 1 6.88 32.83 -39.04 0.00 0.00
101
+ ATOM 101 C PTH 1 6.88 32.83 -38.04 0.00 0.00
102
+ ATOM 102 C PTH 1 6.88 32.83 -37.04 0.00 0.00
103
+ ATOM 103 C PTH 1 6.88 32.83 -36.04 0.00 0.00
104
+ ATOM 104 C PTH 1 6.88 33.83 -41.04 0.00 0.00
105
+ ATOM 105 C PTH 1 6.88 33.83 -40.04 0.00 0.00
106
+ ATOM 106 C PTH 1 6.88 33.83 -39.04 0.00 0.00
107
+ ATOM 107 C PTH 1 6.88 33.83 -38.04 0.00 0.00
108
+ ATOM 108 C PTH 1 6.88 33.83 -37.04 0.00 0.00
109
+ ATOM 109 C PTH 1 6.88 33.83 -36.04 0.00 0.00
110
+ ATOM 110 C PTH 1 6.88 33.83 -35.04 0.00 0.00
111
+ ATOM 111 C PTH 1 6.88 33.83 -34.04 0.00 0.00
112
+ ATOM 112 C PTH 1 6.88 34.83 -41.04 0.00 0.00
113
+ ATOM 113 C PTH 1 6.88 34.83 -40.04 0.00 0.00
114
+ ATOM 114 C PTH 1 6.88 34.83 -39.04 0.00 0.00
115
+ ATOM 115 C PTH 1 6.88 34.83 -38.04 0.00 0.00
116
+ ATOM 116 C PTH 1 6.88 34.83 -37.04 0.00 0.00
117
+ ATOM 117 C PTH 1 6.88 34.83 -36.04 0.00 0.00
118
+ ATOM 118 C PTH 1 6.88 34.83 -35.04 0.00 0.00
119
+ ATOM 119 C PTH 1 6.88 34.83 -34.04 0.00 0.00
120
+ ATOM 120 C PTH 1 6.88 34.83 -33.04 0.00 0.00
121
+ ATOM 121 C PTH 1 6.88 35.83 -41.04 0.00 0.00
122
+ ATOM 122 C PTH 1 6.88 35.83 -40.04 0.00 0.00
123
+ ATOM 123 C PTH 1 6.88 35.83 -39.04 0.00 0.00
124
+ ATOM 124 C PTH 1 6.88 35.83 -38.04 0.00 0.00
125
+ ATOM 125 C PTH 1 6.88 35.83 -37.04 0.00 0.00
126
+ ATOM 126 C PTH 1 6.88 35.83 -36.04 0.00 0.00
127
+ ATOM 127 C PTH 1 6.88 35.83 -35.04 0.00 0.00
128
+ ATOM 128 C PTH 1 6.88 35.83 -34.04 0.00 0.00
129
+ ATOM 129 C PTH 1 6.88 35.83 -33.04 0.00 0.00
130
+ ATOM 130 C PTH 1 6.88 36.83 -39.04 0.00 0.00
131
+ ATOM 131 C PTH 1 6.88 36.83 -38.04 0.00 0.00
132
+ ATOM 132 C PTH 1 6.88 36.83 -37.04 0.00 0.00
133
+ ATOM 133 C PTH 1 6.88 36.83 -36.04 0.00 0.00
134
+ ATOM 134 C PTH 1 6.88 36.83 -35.04 0.00 0.00
135
+ ATOM 135 C PTH 1 6.88 36.83 -34.04 0.00 0.00
136
+ ATOM 136 C PTH 1 6.88 36.83 -33.04 0.00 0.00
137
+ ATOM 137 C PTH 1 6.88 37.83 -39.04 0.00 0.00
138
+ ATOM 138 C PTH 1 6.88 37.83 -38.04 0.00 0.00
139
+ ATOM 139 C PTH 1 6.88 37.83 -37.04 0.00 0.00
140
+ ATOM 140 C PTH 1 6.88 37.83 -36.04 0.00 0.00
141
+ ATOM 141 C PTH 1 6.88 37.83 -35.04 0.00 0.00
142
+ ATOM 142 C PTH 1 6.88 37.83 -34.04 0.00 0.00
143
+ ATOM 143 C PTH 1 6.88 37.83 -33.04 0.00 0.00
144
+ ATOM 144 C PTH 1 6.88 38.83 -39.04 0.00 0.00
145
+ ATOM 145 C PTH 1 6.88 38.83 -38.04 0.00 0.00
146
+ ATOM 146 C PTH 1 6.88 38.83 -37.04 0.00 0.00
147
+ ATOM 147 C PTH 1 6.88 38.83 -36.04 0.00 0.00
148
+ ATOM 148 C PTH 1 6.88 38.83 -35.04 0.00 0.00
149
+ ATOM 149 C PTH 1 6.88 38.83 -34.04 0.00 0.00
150
+ ATOM 150 C PTH 1 6.88 38.83 -33.04 0.00 0.00
151
+ ATOM 151 C PTH 1 6.88 39.83 -38.04 0.00 0.00
152
+ ATOM 152 C PTH 1 6.88 39.83 -37.04 0.00 0.00
153
+ ATOM 153 C PTH 1 6.88 39.83 -36.04 0.00 0.00
154
+ ATOM 154 C PTH 1 6.88 39.83 -35.04 0.00 0.00
155
+ ATOM 155 C PTH 1 6.88 39.83 -34.04 0.00 0.00
156
+ ATOM 156 C PTH 1 6.88 39.83 -33.04 0.00 0.00
157
+ ATOM 157 C PTH 1 6.88 40.83 -37.04 0.00 0.00
158
+ ATOM 158 C PTH 1 6.88 40.83 -36.04 0.00 0.00
159
+ ATOM 159 C PTH 1 6.88 40.83 -35.04 0.00 0.00
160
+ ATOM 160 C PTH 1 6.88 40.83 -34.04 0.00 0.00
161
+ ATOM 161 C PTH 1 7.88 30.83 -40.04 0.00 0.00
162
+ ATOM 162 C PTH 1 7.88 30.83 -38.04 0.00 0.00
163
+ ATOM 163 C PTH 1 7.88 31.83 -41.04 0.00 0.00
164
+ ATOM 164 C PTH 1 7.88 31.83 -40.04 0.00 0.00
165
+ ATOM 165 C PTH 1 7.88 31.83 -39.04 0.00 0.00
166
+ ATOM 166 C PTH 1 7.88 31.83 -38.04 0.00 0.00
167
+ ATOM 167 C PTH 1 7.88 31.83 -37.04 0.00 0.00
168
+ ATOM 168 C PTH 1 7.88 32.83 -41.04 0.00 0.00
169
+ ATOM 169 C PTH 1 7.88 32.83 -40.04 0.00 0.00
170
+ ATOM 170 C PTH 1 7.88 32.83 -39.04 0.00 0.00
171
+ ATOM 171 C PTH 1 7.88 32.83 -38.04 0.00 0.00
172
+ ATOM 172 C PTH 1 7.88 32.83 -37.04 0.00 0.00
173
+ ATOM 173 C PTH 1 7.88 32.83 -36.04 0.00 0.00
174
+ ATOM 174 C PTH 1 7.88 33.83 -41.04 0.00 0.00
175
+ ATOM 175 C PTH 1 7.88 33.83 -40.04 0.00 0.00
176
+ ATOM 176 C PTH 1 7.88 33.83 -39.04 0.00 0.00
177
+ ATOM 177 C PTH 1 7.88 33.83 -38.04 0.00 0.00
178
+ ATOM 178 C PTH 1 7.88 33.83 -37.04 0.00 0.00
179
+ ATOM 179 C PTH 1 7.88 33.83 -36.04 0.00 0.00
180
+ ATOM 180 C PTH 1 7.88 33.83 -35.04 0.00 0.00
181
+ ATOM 181 C PTH 1 7.88 33.83 -34.04 0.00 0.00
182
+ ATOM 182 C PTH 1 7.88 34.83 -41.04 0.00 0.00
183
+ ATOM 183 C PTH 1 7.88 34.83 -40.04 0.00 0.00
184
+ ATOM 184 C PTH 1 7.88 34.83 -39.04 0.00 0.00
185
+ ATOM 185 C PTH 1 7.88 34.83 -38.04 0.00 0.00
186
+ ATOM 186 C PTH 1 7.88 34.83 -37.04 0.00 0.00
187
+ ATOM 187 C PTH 1 7.88 34.83 -36.04 0.00 0.00
188
+ ATOM 188 C PTH 1 7.88 34.83 -35.04 0.00 0.00
189
+ ATOM 189 C PTH 1 7.88 34.83 -34.04 0.00 0.00
190
+ ATOM 190 C PTH 1 7.88 34.83 -33.04 0.00 0.00
191
+ ATOM 191 C PTH 1 7.88 35.83 -41.04 0.00 0.00
192
+ ATOM 192 C PTH 1 7.88 35.83 -40.04 0.00 0.00
193
+ ATOM 193 C PTH 1 7.88 35.83 -39.04 0.00 0.00
194
+ ATOM 194 C PTH 1 7.88 35.83 -38.04 0.00 0.00
195
+ ATOM 195 C PTH 1 7.88 35.83 -37.04 0.00 0.00
196
+ ATOM 196 C PTH 1 7.88 35.83 -36.04 0.00 0.00
197
+ ATOM 197 C PTH 1 7.88 35.83 -35.04 0.00 0.00
198
+ ATOM 198 C PTH 1 7.88 35.83 -34.04 0.00 0.00
199
+ ATOM 199 C PTH 1 7.88 35.83 -33.04 0.00 0.00
200
+ ATOM 200 C PTH 1 7.88 35.83 -32.04 0.00 0.00
201
+ ATOM 201 C PTH 1 7.88 36.83 -40.04 0.00 0.00
202
+ ATOM 202 C PTH 1 7.88 36.83 -39.04 0.00 0.00
203
+ ATOM 203 C PTH 1 7.88 36.83 -38.04 0.00 0.00
204
+ ATOM 204 C PTH 1 7.88 36.83 -37.04 0.00 0.00
205
+ ATOM 205 C PTH 1 7.88 36.83 -36.04 0.00 0.00
206
+ ATOM 206 C PTH 1 7.88 36.83 -35.04 0.00 0.00
207
+ ATOM 207 C PTH 1 7.88 36.83 -34.04 0.00 0.00
208
+ ATOM 208 C PTH 1 7.88 36.83 -33.04 0.00 0.00
209
+ ATOM 209 C PTH 1 7.88 36.83 -32.04 0.00 0.00
210
+ ATOM 210 C PTH 1 7.88 37.83 -39.04 0.00 0.00
211
+ ATOM 211 C PTH 1 7.88 37.83 -38.04 0.00 0.00
212
+ ATOM 212 C PTH 1 7.88 37.83 -37.04 0.00 0.00
213
+ ATOM 213 C PTH 1 7.88 37.83 -36.04 0.00 0.00
214
+ ATOM 214 C PTH 1 7.88 37.83 -35.04 0.00 0.00
215
+ ATOM 215 C PTH 1 7.88 37.83 -34.04 0.00 0.00
216
+ ATOM 216 C PTH 1 7.88 37.83 -33.04 0.00 0.00
217
+ ATOM 217 C PTH 1 7.88 37.83 -32.04 0.00 0.00
218
+ ATOM 218 C PTH 1 7.88 38.83 -39.04 0.00 0.00
219
+ ATOM 219 C PTH 1 7.88 38.83 -38.04 0.00 0.00
220
+ ATOM 220 C PTH 1 7.88 38.83 -37.04 0.00 0.00
221
+ ATOM 221 C PTH 1 7.88 38.83 -36.04 0.00 0.00
222
+ ATOM 222 C PTH 1 7.88 38.83 -35.04 0.00 0.00
223
+ ATOM 223 C PTH 1 7.88 38.83 -34.04 0.00 0.00
224
+ ATOM 224 C PTH 1 7.88 38.83 -33.04 0.00 0.00
225
+ ATOM 225 C PTH 1 7.88 39.83 -38.04 0.00 0.00
226
+ ATOM 226 C PTH 1 7.88 39.83 -37.04 0.00 0.00
227
+ ATOM 227 C PTH 1 7.88 39.83 -36.04 0.00 0.00
228
+ ATOM 228 C PTH 1 7.88 39.83 -35.04 0.00 0.00
229
+ ATOM 229 C PTH 1 7.88 39.83 -34.04 0.00 0.00
230
+ ATOM 230 C PTH 1 7.88 39.83 -33.04 0.00 0.00
231
+ ATOM 231 C PTH 1 7.88 40.83 -36.04 0.00 0.00
232
+ ATOM 232 C PTH 1 7.88 40.83 -35.04 0.00 0.00
233
+ ATOM 233 C PTH 1 7.88 40.83 -34.04 0.00 0.00
234
+ ATOM 234 C PTH 1 8.88 31.83 -40.04 0.00 0.00
235
+ ATOM 235 C PTH 1 8.88 31.83 -39.04 0.00 0.00
236
+ ATOM 236 C PTH 1 8.88 31.83 -38.04 0.00 0.00
237
+ ATOM 237 C PTH 1 8.88 31.83 -37.04 0.00 0.00
238
+ ATOM 238 C PTH 1 8.88 32.83 -40.04 0.00 0.00
239
+ ATOM 239 C PTH 1 8.88 32.83 -39.04 0.00 0.00
240
+ ATOM 240 C PTH 1 8.88 32.83 -38.04 0.00 0.00
241
+ ATOM 241 C PTH 1 8.88 32.83 -37.04 0.00 0.00
242
+ ATOM 242 C PTH 1 8.88 32.83 -36.04 0.00 0.00
243
+ ATOM 243 C PTH 1 8.88 33.83 -41.04 0.00 0.00
244
+ ATOM 244 C PTH 1 8.88 33.83 -40.04 0.00 0.00
245
+ ATOM 245 C PTH 1 8.88 33.83 -39.04 0.00 0.00
246
+ ATOM 246 C PTH 1 8.88 33.83 -38.04 0.00 0.00
247
+ ATOM 247 C PTH 1 8.88 33.83 -37.04 0.00 0.00
248
+ ATOM 248 C PTH 1 8.88 33.83 -36.04 0.00 0.00
249
+ ATOM 249 C PTH 1 8.88 33.83 -35.04 0.00 0.00
250
+ ATOM 250 C PTH 1 8.88 34.83 -41.04 0.00 0.00
251
+ ATOM 251 C PTH 1 8.88 34.83 -40.04 0.00 0.00
252
+ ATOM 252 C PTH 1 8.88 34.83 -39.04 0.00 0.00
253
+ ATOM 253 C PTH 1 8.88 34.83 -38.04 0.00 0.00
254
+ ATOM 254 C PTH 1 8.88 34.83 -37.04 0.00 0.00
255
+ ATOM 255 C PTH 1 8.88 34.83 -36.04 0.00 0.00
256
+ ATOM 256 C PTH 1 8.88 34.83 -35.04 0.00 0.00
257
+ ATOM 257 C PTH 1 8.88 34.83 -34.04 0.00 0.00
258
+ ATOM 258 C PTH 1 8.88 34.83 -33.04 0.00 0.00
259
+ ATOM 259 C PTH 1 8.88 35.83 -40.04 0.00 0.00
260
+ ATOM 260 C PTH 1 8.88 35.83 -39.04 0.00 0.00
261
+ ATOM 261 C PTH 1 8.88 35.83 -38.04 0.00 0.00
262
+ ATOM 262 C PTH 1 8.88 35.83 -37.04 0.00 0.00
263
+ ATOM 263 C PTH 1 8.88 35.83 -36.04 0.00 0.00
264
+ ATOM 264 C PTH 1 8.88 35.83 -35.04 0.00 0.00
265
+ ATOM 265 C PTH 1 8.88 35.83 -34.04 0.00 0.00
266
+ ATOM 266 C PTH 1 8.88 35.83 -33.04 0.00 0.00
267
+ ATOM 267 C PTH 1 8.88 35.83 -32.04 0.00 0.00
268
+ ATOM 268 C PTH 1 8.88 35.83 -31.04 0.00 0.00
269
+ ATOM 269 C PTH 1 8.88 36.83 -38.04 0.00 0.00
270
+ ATOM 270 C PTH 1 8.88 36.83 -37.04 0.00 0.00
271
+ ATOM 271 C PTH 1 8.88 36.83 -36.04 0.00 0.00
272
+ ATOM 272 C PTH 1 8.88 36.83 -35.04 0.00 0.00
273
+ ATOM 273 C PTH 1 8.88 36.83 -34.04 0.00 0.00
274
+ ATOM 274 C PTH 1 8.88 36.83 -33.04 0.00 0.00
275
+ ATOM 275 C PTH 1 8.88 36.83 -32.04 0.00 0.00
276
+ ATOM 276 C PTH 1 8.88 36.83 -31.04 0.00 0.00
277
+ ATOM 277 C PTH 1 8.88 37.83 -38.04 0.00 0.00
278
+ ATOM 278 C PTH 1 8.88 37.83 -37.04 0.00 0.00
279
+ ATOM 279 C PTH 1 8.88 37.83 -36.04 0.00 0.00
280
+ ATOM 280 C PTH 1 8.88 37.83 -35.04 0.00 0.00
281
+ ATOM 281 C PTH 1 8.88 37.83 -34.04 0.00 0.00
282
+ ATOM 282 C PTH 1 8.88 37.83 -33.04 0.00 0.00
283
+ ATOM 283 C PTH 1 8.88 37.83 -32.04 0.00 0.00
284
+ ATOM 284 C PTH 1 8.88 38.83 -38.04 0.00 0.00
285
+ ATOM 285 C PTH 1 8.88 38.83 -37.04 0.00 0.00
286
+ ATOM 286 C PTH 1 8.88 38.83 -36.04 0.00 0.00
287
+ ATOM 287 C PTH 1 8.88 38.83 -35.04 0.00 0.00
288
+ ATOM 288 C PTH 1 8.88 38.83 -34.04 0.00 0.00
289
+ ATOM 289 C PTH 1 8.88 38.83 -33.04 0.00 0.00
290
+ ATOM 290 C PTH 1 8.88 38.83 -32.04 0.00 0.00
291
+ ATOM 291 C PTH 1 8.88 39.83 -36.04 0.00 0.00
292
+ ATOM 292 C PTH 1 8.88 39.83 -35.04 0.00 0.00
293
+ ATOM 293 C PTH 1 8.88 39.83 -34.04 0.00 0.00
294
+ ATOM 294 C PTH 1 8.88 39.83 -33.04 0.00 0.00
295
+ ATOM 295 C PTH 1 9.88 35.83 -35.04 0.00 0.00
296
+ ATOM 296 C PTH 1 9.88 35.83 -34.04 0.00 0.00
297
+ ATOM 297 C PTH 1 9.88 35.83 -33.04 0.00 0.00
298
+ ATOM 298 C PTH 1 9.88 35.83 -32.04 0.00 0.00
299
+ ATOM 299 C PTH 1 9.88 36.83 -35.04 0.00 0.00
300
+ ATOM 300 C PTH 1 9.88 36.83 -34.04 0.00 0.00
301
+ ATOM 301 C PTH 1 9.88 36.83 -33.04 0.00 0.00
302
+ ATOM 302 C PTH 1 9.88 36.83 -32.04 0.00 0.00
303
+ ATOM 303 C PTH 1 9.88 36.83 -31.04 0.00 0.00
304
+ ATOM 304 C PTH 1 9.88 37.83 -34.04 0.00 0.00
305
+ ATOM 305 C PTH 1 9.88 37.83 -33.04 0.00 0.00
306
+ ATOM 306 C PTH 1 9.88 37.83 -32.04 0.00 0.00
307
+ ATOM 307 C PTH 1 9.88 37.83 -31.04 0.00 0.00
308
+ ATOM 308 C PTH 1 9.88 38.83 -34.04 0.00 0.00
309
+ ATOM 309 C PTH 1 9.88 38.83 -33.04 0.00 0.00
310
+ ATOM 310 C PTH 1 9.88 38.83 -32.04 0.00 0.00
311
+ ATOM 311 C PTH 1 10.88 35.83 -33.04 0.00 0.00
312
+ ATOM 312 C PTH 1 10.88 36.83 -33.04 0.00 0.00
313
+ ATOM 313 C PTH 1 10.88 36.83 -32.04 0.00 0.00
314
+ ATOM 314 C PTH 1 10.88 37.83 -33.04 0.00 0.00
315
+ ATOM 315 C PTH 1 10.88 37.83 -32.04 0.00 0.00
data/files/A000K/pocket_03.pdb ADDED
@@ -0,0 +1,253 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 27.88 28.83 -21.04 0.00 0.00
2
+ ATOM 2 C PTH 1 27.88 29.83 -21.04 0.00 0.00
3
+ ATOM 3 C PTH 1 28.88 25.83 -23.04 0.00 0.00
4
+ ATOM 4 C PTH 1 28.88 25.83 -22.04 0.00 0.00
5
+ ATOM 5 C PTH 1 28.88 25.83 -21.04 0.00 0.00
6
+ ATOM 6 C PTH 1 28.88 26.83 -23.04 0.00 0.00
7
+ ATOM 7 C PTH 1 28.88 26.83 -22.04 0.00 0.00
8
+ ATOM 8 C PTH 1 28.88 26.83 -21.04 0.00 0.00
9
+ ATOM 9 C PTH 1 28.88 26.83 -20.04 0.00 0.00
10
+ ATOM 10 C PTH 1 28.88 27.83 -23.04 0.00 0.00
11
+ ATOM 11 C PTH 1 28.88 27.83 -22.04 0.00 0.00
12
+ ATOM 12 C PTH 1 28.88 27.83 -21.04 0.00 0.00
13
+ ATOM 13 C PTH 1 28.88 27.83 -20.04 0.00 0.00
14
+ ATOM 14 C PTH 1 28.88 27.83 -19.04 0.00 0.00
15
+ ATOM 15 C PTH 1 28.88 28.83 -23.04 0.00 0.00
16
+ ATOM 16 C PTH 1 28.88 28.83 -22.04 0.00 0.00
17
+ ATOM 17 C PTH 1 28.88 28.83 -21.04 0.00 0.00
18
+ ATOM 18 C PTH 1 28.88 28.83 -20.04 0.00 0.00
19
+ ATOM 19 C PTH 1 28.88 28.83 -19.04 0.00 0.00
20
+ ATOM 20 C PTH 1 28.88 29.83 -24.04 0.00 0.00
21
+ ATOM 21 C PTH 1 28.88 29.83 -23.04 0.00 0.00
22
+ ATOM 22 C PTH 1 28.88 29.83 -22.04 0.00 0.00
23
+ ATOM 23 C PTH 1 28.88 29.83 -21.04 0.00 0.00
24
+ ATOM 24 C PTH 1 28.88 29.83 -20.04 0.00 0.00
25
+ ATOM 25 C PTH 1 28.88 29.83 -19.04 0.00 0.00
26
+ ATOM 26 C PTH 1 28.88 29.83 -18.04 0.00 0.00
27
+ ATOM 27 C PTH 1 28.88 30.83 -25.04 0.00 0.00
28
+ ATOM 28 C PTH 1 28.88 30.83 -23.04 0.00 0.00
29
+ ATOM 29 C PTH 1 28.88 30.83 -22.04 0.00 0.00
30
+ ATOM 30 C PTH 1 28.88 30.83 -21.04 0.00 0.00
31
+ ATOM 31 C PTH 1 28.88 30.83 -20.04 0.00 0.00
32
+ ATOM 32 C PTH 1 28.88 30.83 -19.04 0.00 0.00
33
+ ATOM 33 C PTH 1 28.88 31.83 -24.04 0.00 0.00
34
+ ATOM 34 C PTH 1 28.88 31.83 -23.04 0.00 0.00
35
+ ATOM 35 C PTH 1 28.88 31.83 -22.04 0.00 0.00
36
+ ATOM 36 C PTH 1 28.88 31.83 -21.04 0.00 0.00
37
+ ATOM 37 C PTH 1 28.88 31.83 -20.04 0.00 0.00
38
+ ATOM 38 C PTH 1 28.88 32.83 -23.04 0.00 0.00
39
+ ATOM 39 C PTH 1 28.88 32.83 -22.04 0.00 0.00
40
+ ATOM 40 C PTH 1 29.88 25.83 -23.04 0.00 0.00
41
+ ATOM 41 C PTH 1 29.88 25.83 -22.04 0.00 0.00
42
+ ATOM 42 C PTH 1 29.88 25.83 -21.04 0.00 0.00
43
+ ATOM 43 C PTH 1 29.88 26.83 -23.04 0.00 0.00
44
+ ATOM 44 C PTH 1 29.88 26.83 -22.04 0.00 0.00
45
+ ATOM 45 C PTH 1 29.88 26.83 -21.04 0.00 0.00
46
+ ATOM 46 C PTH 1 29.88 26.83 -20.04 0.00 0.00
47
+ ATOM 47 C PTH 1 29.88 26.83 -18.04 0.00 0.00
48
+ ATOM 48 C PTH 1 29.88 27.83 -24.04 0.00 0.00
49
+ ATOM 49 C PTH 1 29.88 27.83 -23.04 0.00 0.00
50
+ ATOM 50 C PTH 1 29.88 27.83 -22.04 0.00 0.00
51
+ ATOM 51 C PTH 1 29.88 27.83 -21.04 0.00 0.00
52
+ ATOM 52 C PTH 1 29.88 27.83 -20.04 0.00 0.00
53
+ ATOM 53 C PTH 1 29.88 27.83 -19.04 0.00 0.00
54
+ ATOM 54 C PTH 1 29.88 27.83 -18.04 0.00 0.00
55
+ ATOM 55 C PTH 1 29.88 28.83 -24.04 0.00 0.00
56
+ ATOM 56 C PTH 1 29.88 28.83 -23.04 0.00 0.00
57
+ ATOM 57 C PTH 1 29.88 28.83 -22.04 0.00 0.00
58
+ ATOM 58 C PTH 1 29.88 28.83 -21.04 0.00 0.00
59
+ ATOM 59 C PTH 1 29.88 28.83 -20.04 0.00 0.00
60
+ ATOM 60 C PTH 1 29.88 28.83 -19.04 0.00 0.00
61
+ ATOM 61 C PTH 1 29.88 28.83 -18.04 0.00 0.00
62
+ ATOM 62 C PTH 1 29.88 29.83 -25.04 0.00 0.00
63
+ ATOM 63 C PTH 1 29.88 29.83 -24.04 0.00 0.00
64
+ ATOM 64 C PTH 1 29.88 29.83 -23.04 0.00 0.00
65
+ ATOM 65 C PTH 1 29.88 29.83 -22.04 0.00 0.00
66
+ ATOM 66 C PTH 1 29.88 29.83 -21.04 0.00 0.00
67
+ ATOM 67 C PTH 1 29.88 29.83 -20.04 0.00 0.00
68
+ ATOM 68 C PTH 1 29.88 29.83 -19.04 0.00 0.00
69
+ ATOM 69 C PTH 1 29.88 29.83 -18.04 0.00 0.00
70
+ ATOM 70 C PTH 1 29.88 30.83 -24.04 0.00 0.00
71
+ ATOM 71 C PTH 1 29.88 30.83 -23.04 0.00 0.00
72
+ ATOM 72 C PTH 1 29.88 30.83 -22.04 0.00 0.00
73
+ ATOM 73 C PTH 1 29.88 30.83 -21.04 0.00 0.00
74
+ ATOM 74 C PTH 1 29.88 30.83 -20.04 0.00 0.00
75
+ ATOM 75 C PTH 1 29.88 30.83 -19.04 0.00 0.00
76
+ ATOM 76 C PTH 1 29.88 30.83 -18.04 0.00 0.00
77
+ ATOM 77 C PTH 1 29.88 31.83 -23.04 0.00 0.00
78
+ ATOM 78 C PTH 1 29.88 31.83 -22.04 0.00 0.00
79
+ ATOM 79 C PTH 1 29.88 31.83 -21.04 0.00 0.00
80
+ ATOM 80 C PTH 1 29.88 31.83 -20.04 0.00 0.00
81
+ ATOM 81 C PTH 1 29.88 32.83 -24.04 0.00 0.00
82
+ ATOM 82 C PTH 1 29.88 32.83 -23.04 0.00 0.00
83
+ ATOM 83 C PTH 1 29.88 32.83 -22.04 0.00 0.00
84
+ ATOM 84 C PTH 1 29.88 32.83 -21.04 0.00 0.00
85
+ ATOM 85 C PTH 1 30.88 26.83 -24.04 0.00 0.00
86
+ ATOM 86 C PTH 1 30.88 26.83 -23.04 0.00 0.00
87
+ ATOM 87 C PTH 1 30.88 26.83 -22.04 0.00 0.00
88
+ ATOM 88 C PTH 1 30.88 26.83 -21.04 0.00 0.00
89
+ ATOM 89 C PTH 1 30.88 26.83 -20.04 0.00 0.00
90
+ ATOM 90 C PTH 1 30.88 26.83 -19.04 0.00 0.00
91
+ ATOM 91 C PTH 1 30.88 26.83 -18.04 0.00 0.00
92
+ ATOM 92 C PTH 1 30.88 27.83 -24.04 0.00 0.00
93
+ ATOM 93 C PTH 1 30.88 27.83 -23.04 0.00 0.00
94
+ ATOM 94 C PTH 1 30.88 27.83 -22.04 0.00 0.00
95
+ ATOM 95 C PTH 1 30.88 27.83 -21.04 0.00 0.00
96
+ ATOM 96 C PTH 1 30.88 27.83 -20.04 0.00 0.00
97
+ ATOM 97 C PTH 1 30.88 27.83 -19.04 0.00 0.00
98
+ ATOM 98 C PTH 1 30.88 27.83 -18.04 0.00 0.00
99
+ ATOM 99 C PTH 1 30.88 28.83 -24.04 0.00 0.00
100
+ ATOM 100 C PTH 1 30.88 28.83 -23.04 0.00 0.00
101
+ ATOM 101 C PTH 1 30.88 28.83 -22.04 0.00 0.00
102
+ ATOM 102 C PTH 1 30.88 28.83 -21.04 0.00 0.00
103
+ ATOM 103 C PTH 1 30.88 28.83 -20.04 0.00 0.00
104
+ ATOM 104 C PTH 1 30.88 28.83 -19.04 0.00 0.00
105
+ ATOM 105 C PTH 1 30.88 28.83 -18.04 0.00 0.00
106
+ ATOM 106 C PTH 1 30.88 29.83 -24.04 0.00 0.00
107
+ ATOM 107 C PTH 1 30.88 29.83 -23.04 0.00 0.00
108
+ ATOM 108 C PTH 1 30.88 29.83 -22.04 0.00 0.00
109
+ ATOM 109 C PTH 1 30.88 29.83 -21.04 0.00 0.00
110
+ ATOM 110 C PTH 1 30.88 29.83 -20.04 0.00 0.00
111
+ ATOM 111 C PTH 1 30.88 29.83 -19.04 0.00 0.00
112
+ ATOM 112 C PTH 1 30.88 29.83 -18.04 0.00 0.00
113
+ ATOM 113 C PTH 1 30.88 30.83 -23.04 0.00 0.00
114
+ ATOM 114 C PTH 1 30.88 30.83 -22.04 0.00 0.00
115
+ ATOM 115 C PTH 1 30.88 30.83 -21.04 0.00 0.00
116
+ ATOM 116 C PTH 1 30.88 30.83 -20.04 0.00 0.00
117
+ ATOM 117 C PTH 1 30.88 30.83 -19.04 0.00 0.00
118
+ ATOM 118 C PTH 1 30.88 31.83 -23.04 0.00 0.00
119
+ ATOM 119 C PTH 1 30.88 31.83 -22.04 0.00 0.00
120
+ ATOM 120 C PTH 1 30.88 31.83 -21.04 0.00 0.00
121
+ ATOM 121 C PTH 1 30.88 31.83 -20.04 0.00 0.00
122
+ ATOM 122 C PTH 1 31.88 25.83 -23.04 0.00 0.00
123
+ ATOM 123 C PTH 1 31.88 26.83 -24.04 0.00 0.00
124
+ ATOM 124 C PTH 1 31.88 26.83 -23.04 0.00 0.00
125
+ ATOM 125 C PTH 1 31.88 26.83 -22.04 0.00 0.00
126
+ ATOM 126 C PTH 1 31.88 26.83 -21.04 0.00 0.00
127
+ ATOM 127 C PTH 1 31.88 26.83 -20.04 0.00 0.00
128
+ ATOM 128 C PTH 1 31.88 26.83 -19.04 0.00 0.00
129
+ ATOM 129 C PTH 1 31.88 26.83 -18.04 0.00 0.00
130
+ ATOM 130 C PTH 1 31.88 27.83 -24.04 0.00 0.00
131
+ ATOM 131 C PTH 1 31.88 27.83 -23.04 0.00 0.00
132
+ ATOM 132 C PTH 1 31.88 27.83 -22.04 0.00 0.00
133
+ ATOM 133 C PTH 1 31.88 27.83 -21.04 0.00 0.00
134
+ ATOM 134 C PTH 1 31.88 27.83 -20.04 0.00 0.00
135
+ ATOM 135 C PTH 1 31.88 27.83 -19.04 0.00 0.00
136
+ ATOM 136 C PTH 1 31.88 27.83 -18.04 0.00 0.00
137
+ ATOM 137 C PTH 1 31.88 28.83 -24.04 0.00 0.00
138
+ ATOM 138 C PTH 1 31.88 28.83 -23.04 0.00 0.00
139
+ ATOM 139 C PTH 1 31.88 28.83 -22.04 0.00 0.00
140
+ ATOM 140 C PTH 1 31.88 28.83 -21.04 0.00 0.00
141
+ ATOM 141 C PTH 1 31.88 28.83 -20.04 0.00 0.00
142
+ ATOM 142 C PTH 1 31.88 28.83 -19.04 0.00 0.00
143
+ ATOM 143 C PTH 1 31.88 28.83 -18.04 0.00 0.00
144
+ ATOM 144 C PTH 1 31.88 29.83 -24.04 0.00 0.00
145
+ ATOM 145 C PTH 1 31.88 29.83 -23.04 0.00 0.00
146
+ ATOM 146 C PTH 1 31.88 29.83 -22.04 0.00 0.00
147
+ ATOM 147 C PTH 1 31.88 29.83 -21.04 0.00 0.00
148
+ ATOM 148 C PTH 1 31.88 29.83 -20.04 0.00 0.00
149
+ ATOM 149 C PTH 1 31.88 29.83 -19.04 0.00 0.00
150
+ ATOM 150 C PTH 1 31.88 30.83 -22.04 0.00 0.00
151
+ ATOM 151 C PTH 1 31.88 30.83 -21.04 0.00 0.00
152
+ ATOM 152 C PTH 1 31.88 30.83 -20.04 0.00 0.00
153
+ ATOM 153 C PTH 1 31.88 30.83 -19.04 0.00 0.00
154
+ ATOM 154 C PTH 1 31.88 31.83 -22.04 0.00 0.00
155
+ ATOM 155 C PTH 1 32.88 25.83 -24.04 0.00 0.00
156
+ ATOM 156 C PTH 1 32.88 25.83 -23.04 0.00 0.00
157
+ ATOM 157 C PTH 1 32.88 26.83 -24.04 0.00 0.00
158
+ ATOM 158 C PTH 1 32.88 26.83 -23.04 0.00 0.00
159
+ ATOM 159 C PTH 1 32.88 26.83 -22.04 0.00 0.00
160
+ ATOM 160 C PTH 1 32.88 26.83 -21.04 0.00 0.00
161
+ ATOM 161 C PTH 1 32.88 27.83 -24.04 0.00 0.00
162
+ ATOM 162 C PTH 1 32.88 27.83 -23.04 0.00 0.00
163
+ ATOM 163 C PTH 1 32.88 27.83 -22.04 0.00 0.00
164
+ ATOM 164 C PTH 1 32.88 27.83 -21.04 0.00 0.00
165
+ ATOM 165 C PTH 1 32.88 28.83 -24.04 0.00 0.00
166
+ ATOM 166 C PTH 1 32.88 28.83 -23.04 0.00 0.00
167
+ ATOM 167 C PTH 1 32.88 28.83 -22.04 0.00 0.00
168
+ ATOM 168 C PTH 1 32.88 28.83 -21.04 0.00 0.00
169
+ ATOM 169 C PTH 1 32.88 29.83 -23.04 0.00 0.00
170
+ ATOM 170 C PTH 1 32.88 29.83 -22.04 0.00 0.00
171
+ ATOM 171 C PTH 1 32.88 29.83 -21.04 0.00 0.00
172
+ ATOM 172 C PTH 1 33.88 24.83 -25.04 0.00 0.00
173
+ ATOM 173 C PTH 1 33.88 24.83 -24.04 0.00 0.00
174
+ ATOM 174 C PTH 1 33.88 24.83 -23.04 0.00 0.00
175
+ ATOM 175 C PTH 1 33.88 25.83 -25.04 0.00 0.00
176
+ ATOM 176 C PTH 1 33.88 25.83 -24.04 0.00 0.00
177
+ ATOM 177 C PTH 1 33.88 25.83 -23.04 0.00 0.00
178
+ ATOM 178 C PTH 1 33.88 25.83 -22.04 0.00 0.00
179
+ ATOM 179 C PTH 1 33.88 26.83 -25.04 0.00 0.00
180
+ ATOM 180 C PTH 1 33.88 26.83 -24.04 0.00 0.00
181
+ ATOM 181 C PTH 1 33.88 26.83 -23.04 0.00 0.00
182
+ ATOM 182 C PTH 1 33.88 26.83 -22.04 0.00 0.00
183
+ ATOM 183 C PTH 1 33.88 26.83 -21.04 0.00 0.00
184
+ ATOM 184 C PTH 1 33.88 27.83 -24.04 0.00 0.00
185
+ ATOM 185 C PTH 1 33.88 27.83 -23.04 0.00 0.00
186
+ ATOM 186 C PTH 1 33.88 27.83 -22.04 0.00 0.00
187
+ ATOM 187 C PTH 1 33.88 27.83 -21.04 0.00 0.00
188
+ ATOM 188 C PTH 1 33.88 28.83 -24.04 0.00 0.00
189
+ ATOM 189 C PTH 1 33.88 28.83 -23.04 0.00 0.00
190
+ ATOM 190 C PTH 1 33.88 28.83 -22.04 0.00 0.00
191
+ ATOM 191 C PTH 1 33.88 28.83 -21.04 0.00 0.00
192
+ ATOM 192 C PTH 1 33.88 29.83 -21.04 0.00 0.00
193
+ ATOM 193 C PTH 1 34.88 24.83 -25.04 0.00 0.00
194
+ ATOM 194 C PTH 1 34.88 24.83 -24.04 0.00 0.00
195
+ ATOM 195 C PTH 1 34.88 24.83 -23.04 0.00 0.00
196
+ ATOM 196 C PTH 1 34.88 25.83 -25.04 0.00 0.00
197
+ ATOM 197 C PTH 1 34.88 25.83 -24.04 0.00 0.00
198
+ ATOM 198 C PTH 1 34.88 25.83 -23.04 0.00 0.00
199
+ ATOM 199 C PTH 1 34.88 25.83 -22.04 0.00 0.00
200
+ ATOM 200 C PTH 1 34.88 26.83 -25.04 0.00 0.00
201
+ ATOM 201 C PTH 1 34.88 26.83 -24.04 0.00 0.00
202
+ ATOM 202 C PTH 1 34.88 26.83 -23.04 0.00 0.00
203
+ ATOM 203 C PTH 1 34.88 26.83 -22.04 0.00 0.00
204
+ ATOM 204 C PTH 1 34.88 26.83 -21.04 0.00 0.00
205
+ ATOM 205 C PTH 1 34.88 27.83 -25.04 0.00 0.00
206
+ ATOM 206 C PTH 1 34.88 27.83 -24.04 0.00 0.00
207
+ ATOM 207 C PTH 1 34.88 27.83 -23.04 0.00 0.00
208
+ ATOM 208 C PTH 1 34.88 27.83 -22.04 0.00 0.00
209
+ ATOM 209 C PTH 1 34.88 27.83 -21.04 0.00 0.00
210
+ ATOM 210 C PTH 1 34.88 28.83 -24.04 0.00 0.00
211
+ ATOM 211 C PTH 1 34.88 28.83 -23.04 0.00 0.00
212
+ ATOM 212 C PTH 1 34.88 28.83 -22.04 0.00 0.00
213
+ ATOM 213 C PTH 1 34.88 28.83 -21.04 0.00 0.00
214
+ ATOM 214 C PTH 1 34.88 29.83 -22.04 0.00 0.00
215
+ ATOM 215 C PTH 1 35.88 24.83 -24.04 0.00 0.00
216
+ ATOM 216 C PTH 1 35.88 24.83 -23.04 0.00 0.00
217
+ ATOM 217 C PTH 1 35.88 25.83 -25.04 0.00 0.00
218
+ ATOM 218 C PTH 1 35.88 25.83 -24.04 0.00 0.00
219
+ ATOM 219 C PTH 1 35.88 25.83 -23.04 0.00 0.00
220
+ ATOM 220 C PTH 1 35.88 25.83 -22.04 0.00 0.00
221
+ ATOM 221 C PTH 1 35.88 26.83 -25.04 0.00 0.00
222
+ ATOM 222 C PTH 1 35.88 26.83 -24.04 0.00 0.00
223
+ ATOM 223 C PTH 1 35.88 26.83 -23.04 0.00 0.00
224
+ ATOM 224 C PTH 1 35.88 26.83 -22.04 0.00 0.00
225
+ ATOM 225 C PTH 1 35.88 26.83 -21.04 0.00 0.00
226
+ ATOM 226 C PTH 1 35.88 27.83 -25.04 0.00 0.00
227
+ ATOM 227 C PTH 1 35.88 27.83 -24.04 0.00 0.00
228
+ ATOM 228 C PTH 1 35.88 27.83 -23.04 0.00 0.00
229
+ ATOM 229 C PTH 1 35.88 27.83 -22.04 0.00 0.00
230
+ ATOM 230 C PTH 1 35.88 27.83 -21.04 0.00 0.00
231
+ ATOM 231 C PTH 1 35.88 28.83 -24.04 0.00 0.00
232
+ ATOM 232 C PTH 1 35.88 28.83 -23.04 0.00 0.00
233
+ ATOM 233 C PTH 1 35.88 28.83 -22.04 0.00 0.00
234
+ ATOM 234 C PTH 1 35.88 28.83 -21.04 0.00 0.00
235
+ ATOM 235 C PTH 1 36.88 25.83 -25.04 0.00 0.00
236
+ ATOM 236 C PTH 1 36.88 25.83 -24.04 0.00 0.00
237
+ ATOM 237 C PTH 1 36.88 25.83 -23.04 0.00 0.00
238
+ ATOM 238 C PTH 1 36.88 26.83 -25.04 0.00 0.00
239
+ ATOM 239 C PTH 1 36.88 26.83 -24.04 0.00 0.00
240
+ ATOM 240 C PTH 1 36.88 26.83 -23.04 0.00 0.00
241
+ ATOM 241 C PTH 1 36.88 26.83 -22.04 0.00 0.00
242
+ ATOM 242 C PTH 1 36.88 27.83 -25.04 0.00 0.00
243
+ ATOM 243 C PTH 1 36.88 27.83 -24.04 0.00 0.00
244
+ ATOM 244 C PTH 1 36.88 27.83 -23.04 0.00 0.00
245
+ ATOM 245 C PTH 1 36.88 27.83 -22.04 0.00 0.00
246
+ ATOM 246 C PTH 1 36.88 28.83 -25.04 0.00 0.00
247
+ ATOM 247 C PTH 1 36.88 28.83 -24.04 0.00 0.00
248
+ ATOM 248 C PTH 1 36.88 28.83 -23.04 0.00 0.00
249
+ ATOM 249 C PTH 1 36.88 28.83 -22.04 0.00 0.00
250
+ ATOM 250 C PTH 1 37.88 26.83 -25.04 0.00 0.00
251
+ ATOM 251 C PTH 1 37.88 26.83 -24.04 0.00 0.00
252
+ ATOM 252 C PTH 1 37.88 27.83 -25.04 0.00 0.00
253
+ ATOM 253 C PTH 1 37.88 27.83 -24.04 0.00 0.00
data/files/A000K/pocket_04.pdb ADDED
@@ -0,0 +1,226 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 21.88 35.83 -28.04 0.00 0.00
2
+ ATOM 2 C PTH 1 21.88 35.83 -27.04 0.00 0.00
3
+ ATOM 3 C PTH 1 21.88 36.83 -27.04 0.00 0.00
4
+ ATOM 4 C PTH 1 21.88 36.83 -26.04 0.00 0.00
5
+ ATOM 5 C PTH 1 21.88 37.83 -27.04 0.00 0.00
6
+ ATOM 6 C PTH 1 21.88 37.83 -26.04 0.00 0.00
7
+ ATOM 7 C PTH 1 21.88 38.83 -26.04 0.00 0.00
8
+ ATOM 8 C PTH 1 22.88 34.83 -29.04 0.00 0.00
9
+ ATOM 9 C PTH 1 22.88 34.83 -28.04 0.00 0.00
10
+ ATOM 10 C PTH 1 22.88 34.83 -27.04 0.00 0.00
11
+ ATOM 11 C PTH 1 22.88 35.83 -30.04 0.00 0.00
12
+ ATOM 12 C PTH 1 22.88 35.83 -29.04 0.00 0.00
13
+ ATOM 13 C PTH 1 22.88 35.83 -28.04 0.00 0.00
14
+ ATOM 14 C PTH 1 22.88 35.83 -27.04 0.00 0.00
15
+ ATOM 15 C PTH 1 22.88 36.83 -30.04 0.00 0.00
16
+ ATOM 16 C PTH 1 22.88 36.83 -29.04 0.00 0.00
17
+ ATOM 17 C PTH 1 22.88 36.83 -28.04 0.00 0.00
18
+ ATOM 18 C PTH 1 22.88 36.83 -27.04 0.00 0.00
19
+ ATOM 19 C PTH 1 22.88 36.83 -26.04 0.00 0.00
20
+ ATOM 20 C PTH 1 22.88 37.83 -29.04 0.00 0.00
21
+ ATOM 21 C PTH 1 22.88 37.83 -28.04 0.00 0.00
22
+ ATOM 22 C PTH 1 22.88 37.83 -27.04 0.00 0.00
23
+ ATOM 23 C PTH 1 22.88 37.83 -26.04 0.00 0.00
24
+ ATOM 24 C PTH 1 22.88 38.83 -28.04 0.00 0.00
25
+ ATOM 25 C PTH 1 22.88 38.83 -27.04 0.00 0.00
26
+ ATOM 26 C PTH 1 22.88 38.83 -26.04 0.00 0.00
27
+ ATOM 27 C PTH 1 22.88 39.83 -27.04 0.00 0.00
28
+ ATOM 28 C PTH 1 22.88 39.83 -26.04 0.00 0.00
29
+ ATOM 29 C PTH 1 23.88 34.83 -29.04 0.00 0.00
30
+ ATOM 30 C PTH 1 23.88 34.83 -28.04 0.00 0.00
31
+ ATOM 31 C PTH 1 23.88 34.83 -27.04 0.00 0.00
32
+ ATOM 32 C PTH 1 23.88 35.83 -30.04 0.00 0.00
33
+ ATOM 33 C PTH 1 23.88 35.83 -29.04 0.00 0.00
34
+ ATOM 34 C PTH 1 23.88 35.83 -28.04 0.00 0.00
35
+ ATOM 35 C PTH 1 23.88 35.83 -27.04 0.00 0.00
36
+ ATOM 36 C PTH 1 23.88 36.83 -31.04 0.00 0.00
37
+ ATOM 37 C PTH 1 23.88 36.83 -30.04 0.00 0.00
38
+ ATOM 38 C PTH 1 23.88 36.83 -29.04 0.00 0.00
39
+ ATOM 39 C PTH 1 23.88 36.83 -28.04 0.00 0.00
40
+ ATOM 40 C PTH 1 23.88 36.83 -27.04 0.00 0.00
41
+ ATOM 41 C PTH 1 23.88 36.83 -26.04 0.00 0.00
42
+ ATOM 42 C PTH 1 23.88 37.83 -31.04 0.00 0.00
43
+ ATOM 43 C PTH 1 23.88 37.83 -30.04 0.00 0.00
44
+ ATOM 44 C PTH 1 23.88 37.83 -29.04 0.00 0.00
45
+ ATOM 45 C PTH 1 23.88 37.83 -28.04 0.00 0.00
46
+ ATOM 46 C PTH 1 23.88 37.83 -27.04 0.00 0.00
47
+ ATOM 47 C PTH 1 23.88 37.83 -26.04 0.00 0.00
48
+ ATOM 48 C PTH 1 23.88 38.83 -31.04 0.00 0.00
49
+ ATOM 49 C PTH 1 23.88 38.83 -30.04 0.00 0.00
50
+ ATOM 50 C PTH 1 23.88 38.83 -29.04 0.00 0.00
51
+ ATOM 51 C PTH 1 23.88 38.83 -28.04 0.00 0.00
52
+ ATOM 52 C PTH 1 23.88 38.83 -27.04 0.00 0.00
53
+ ATOM 53 C PTH 1 23.88 38.83 -26.04 0.00 0.00
54
+ ATOM 54 C PTH 1 23.88 39.83 -30.04 0.00 0.00
55
+ ATOM 55 C PTH 1 23.88 39.83 -29.04 0.00 0.00
56
+ ATOM 56 C PTH 1 23.88 39.83 -28.04 0.00 0.00
57
+ ATOM 57 C PTH 1 23.88 39.83 -27.04 0.00 0.00
58
+ ATOM 58 C PTH 1 23.88 39.83 -26.04 0.00 0.00
59
+ ATOM 59 C PTH 1 23.88 40.83 -28.04 0.00 0.00
60
+ ATOM 60 C PTH 1 23.88 40.83 -27.04 0.00 0.00
61
+ ATOM 61 C PTH 1 24.88 34.83 -28.04 0.00 0.00
62
+ ATOM 62 C PTH 1 24.88 35.83 -30.04 0.00 0.00
63
+ ATOM 63 C PTH 1 24.88 35.83 -29.04 0.00 0.00
64
+ ATOM 64 C PTH 1 24.88 35.83 -28.04 0.00 0.00
65
+ ATOM 65 C PTH 1 24.88 35.83 -27.04 0.00 0.00
66
+ ATOM 66 C PTH 1 24.88 36.83 -31.04 0.00 0.00
67
+ ATOM 67 C PTH 1 24.88 36.83 -30.04 0.00 0.00
68
+ ATOM 68 C PTH 1 24.88 36.83 -29.04 0.00 0.00
69
+ ATOM 69 C PTH 1 24.88 36.83 -28.04 0.00 0.00
70
+ ATOM 70 C PTH 1 24.88 36.83 -27.04 0.00 0.00
71
+ ATOM 71 C PTH 1 24.88 37.83 -31.04 0.00 0.00
72
+ ATOM 72 C PTH 1 24.88 37.83 -30.04 0.00 0.00
73
+ ATOM 73 C PTH 1 24.88 37.83 -29.04 0.00 0.00
74
+ ATOM 74 C PTH 1 24.88 37.83 -28.04 0.00 0.00
75
+ ATOM 75 C PTH 1 24.88 37.83 -27.04 0.00 0.00
76
+ ATOM 76 C PTH 1 24.88 37.83 -26.04 0.00 0.00
77
+ ATOM 77 C PTH 1 24.88 38.83 -31.04 0.00 0.00
78
+ ATOM 78 C PTH 1 24.88 38.83 -30.04 0.00 0.00
79
+ ATOM 79 C PTH 1 24.88 38.83 -29.04 0.00 0.00
80
+ ATOM 80 C PTH 1 24.88 38.83 -28.04 0.00 0.00
81
+ ATOM 81 C PTH 1 24.88 38.83 -27.04 0.00 0.00
82
+ ATOM 82 C PTH 1 24.88 38.83 -26.04 0.00 0.00
83
+ ATOM 83 C PTH 1 24.88 39.83 -31.04 0.00 0.00
84
+ ATOM 84 C PTH 1 24.88 39.83 -30.04 0.00 0.00
85
+ ATOM 85 C PTH 1 24.88 39.83 -29.04 0.00 0.00
86
+ ATOM 86 C PTH 1 24.88 39.83 -28.04 0.00 0.00
87
+ ATOM 87 C PTH 1 24.88 39.83 -27.04 0.00 0.00
88
+ ATOM 88 C PTH 1 24.88 39.83 -26.04 0.00 0.00
89
+ ATOM 89 C PTH 1 24.88 40.83 -29.04 0.00 0.00
90
+ ATOM 90 C PTH 1 24.88 40.83 -28.04 0.00 0.00
91
+ ATOM 91 C PTH 1 24.88 40.83 -27.04 0.00 0.00
92
+ ATOM 92 C PTH 1 24.88 40.83 -26.04 0.00 0.00
93
+ ATOM 93 C PTH 1 24.88 41.83 -27.04 0.00 0.00
94
+ ATOM 94 C PTH 1 24.88 41.83 -26.04 0.00 0.00
95
+ ATOM 95 C PTH 1 25.88 35.83 -30.04 0.00 0.00
96
+ ATOM 96 C PTH 1 25.88 35.83 -29.04 0.00 0.00
97
+ ATOM 97 C PTH 1 25.88 35.83 -28.04 0.00 0.00
98
+ ATOM 98 C PTH 1 25.88 36.83 -32.04 0.00 0.00
99
+ ATOM 99 C PTH 1 25.88 36.83 -31.04 0.00 0.00
100
+ ATOM 100 C PTH 1 25.88 36.83 -30.04 0.00 0.00
101
+ ATOM 101 C PTH 1 25.88 36.83 -29.04 0.00 0.00
102
+ ATOM 102 C PTH 1 25.88 36.83 -28.04 0.00 0.00
103
+ ATOM 103 C PTH 1 25.88 36.83 -27.04 0.00 0.00
104
+ ATOM 104 C PTH 1 25.88 37.83 -32.04 0.00 0.00
105
+ ATOM 105 C PTH 1 25.88 37.83 -31.04 0.00 0.00
106
+ ATOM 106 C PTH 1 25.88 37.83 -30.04 0.00 0.00
107
+ ATOM 107 C PTH 1 25.88 37.83 -29.04 0.00 0.00
108
+ ATOM 108 C PTH 1 25.88 37.83 -28.04 0.00 0.00
109
+ ATOM 109 C PTH 1 25.88 37.83 -27.04 0.00 0.00
110
+ ATOM 110 C PTH 1 25.88 38.83 -32.04 0.00 0.00
111
+ ATOM 111 C PTH 1 25.88 38.83 -31.04 0.00 0.00
112
+ ATOM 112 C PTH 1 25.88 38.83 -30.04 0.00 0.00
113
+ ATOM 113 C PTH 1 25.88 38.83 -29.04 0.00 0.00
114
+ ATOM 114 C PTH 1 25.88 38.83 -28.04 0.00 0.00
115
+ ATOM 115 C PTH 1 25.88 38.83 -27.04 0.00 0.00
116
+ ATOM 116 C PTH 1 25.88 39.83 -31.04 0.00 0.00
117
+ ATOM 117 C PTH 1 25.88 39.83 -30.04 0.00 0.00
118
+ ATOM 118 C PTH 1 25.88 39.83 -29.04 0.00 0.00
119
+ ATOM 119 C PTH 1 25.88 39.83 -28.04 0.00 0.00
120
+ ATOM 120 C PTH 1 25.88 39.83 -27.04 0.00 0.00
121
+ ATOM 121 C PTH 1 25.88 39.83 -26.04 0.00 0.00
122
+ ATOM 122 C PTH 1 25.88 40.83 -29.04 0.00 0.00
123
+ ATOM 123 C PTH 1 25.88 40.83 -28.04 0.00 0.00
124
+ ATOM 124 C PTH 1 25.88 40.83 -27.04 0.00 0.00
125
+ ATOM 125 C PTH 1 25.88 40.83 -26.04 0.00 0.00
126
+ ATOM 126 C PTH 1 25.88 41.83 -27.04 0.00 0.00
127
+ ATOM 127 C PTH 1 25.88 41.83 -26.04 0.00 0.00
128
+ ATOM 128 C PTH 1 26.88 36.83 -32.04 0.00 0.00
129
+ ATOM 129 C PTH 1 26.88 36.83 -31.04 0.00 0.00
130
+ ATOM 130 C PTH 1 26.88 36.83 -30.04 0.00 0.00
131
+ ATOM 131 C PTH 1 26.88 36.83 -29.04 0.00 0.00
132
+ ATOM 132 C PTH 1 26.88 36.83 -28.04 0.00 0.00
133
+ ATOM 133 C PTH 1 26.88 37.83 -32.04 0.00 0.00
134
+ ATOM 134 C PTH 1 26.88 37.83 -31.04 0.00 0.00
135
+ ATOM 135 C PTH 1 26.88 37.83 -30.04 0.00 0.00
136
+ ATOM 136 C PTH 1 26.88 37.83 -29.04 0.00 0.00
137
+ ATOM 137 C PTH 1 26.88 37.83 -28.04 0.00 0.00
138
+ ATOM 138 C PTH 1 26.88 37.83 -27.04 0.00 0.00
139
+ ATOM 139 C PTH 1 26.88 38.83 -32.04 0.00 0.00
140
+ ATOM 140 C PTH 1 26.88 38.83 -31.04 0.00 0.00
141
+ ATOM 141 C PTH 1 26.88 38.83 -30.04 0.00 0.00
142
+ ATOM 142 C PTH 1 26.88 38.83 -29.04 0.00 0.00
143
+ ATOM 143 C PTH 1 26.88 38.83 -28.04 0.00 0.00
144
+ ATOM 144 C PTH 1 26.88 38.83 -27.04 0.00 0.00
145
+ ATOM 145 C PTH 1 26.88 39.83 -32.04 0.00 0.00
146
+ ATOM 146 C PTH 1 26.88 39.83 -31.04 0.00 0.00
147
+ ATOM 147 C PTH 1 26.88 39.83 -30.04 0.00 0.00
148
+ ATOM 148 C PTH 1 26.88 39.83 -29.04 0.00 0.00
149
+ ATOM 149 C PTH 1 26.88 39.83 -28.04 0.00 0.00
150
+ ATOM 150 C PTH 1 26.88 39.83 -27.04 0.00 0.00
151
+ ATOM 151 C PTH 1 26.88 40.83 -30.04 0.00 0.00
152
+ ATOM 152 C PTH 1 26.88 40.83 -29.04 0.00 0.00
153
+ ATOM 153 C PTH 1 26.88 40.83 -28.04 0.00 0.00
154
+ ATOM 154 C PTH 1 26.88 40.83 -27.04 0.00 0.00
155
+ ATOM 155 C PTH 1 26.88 40.83 -26.04 0.00 0.00
156
+ ATOM 156 C PTH 1 27.88 36.83 -32.04 0.00 0.00
157
+ ATOM 157 C PTH 1 27.88 36.83 -31.04 0.00 0.00
158
+ ATOM 158 C PTH 1 27.88 37.83 -32.04 0.00 0.00
159
+ ATOM 159 C PTH 1 27.88 37.83 -31.04 0.00 0.00
160
+ ATOM 160 C PTH 1 27.88 37.83 -30.04 0.00 0.00
161
+ ATOM 161 C PTH 1 27.88 37.83 -29.04 0.00 0.00
162
+ ATOM 162 C PTH 1 27.88 37.83 -28.04 0.00 0.00
163
+ ATOM 163 C PTH 1 27.88 38.83 -32.04 0.00 0.00
164
+ ATOM 164 C PTH 1 27.88 38.83 -31.04 0.00 0.00
165
+ ATOM 165 C PTH 1 27.88 38.83 -30.04 0.00 0.00
166
+ ATOM 166 C PTH 1 27.88 38.83 -29.04 0.00 0.00
167
+ ATOM 167 C PTH 1 27.88 38.83 -28.04 0.00 0.00
168
+ ATOM 168 C PTH 1 27.88 39.83 -32.04 0.00 0.00
169
+ ATOM 169 C PTH 1 27.88 39.83 -31.04 0.00 0.00
170
+ ATOM 170 C PTH 1 27.88 39.83 -30.04 0.00 0.00
171
+ ATOM 171 C PTH 1 27.88 39.83 -29.04 0.00 0.00
172
+ ATOM 172 C PTH 1 27.88 39.83 -28.04 0.00 0.00
173
+ ATOM 173 C PTH 1 27.88 40.83 -31.04 0.00 0.00
174
+ ATOM 174 C PTH 1 27.88 40.83 -30.04 0.00 0.00
175
+ ATOM 175 C PTH 1 27.88 40.83 -29.04 0.00 0.00
176
+ ATOM 176 C PTH 1 27.88 40.83 -28.04 0.00 0.00
177
+ ATOM 177 C PTH 1 27.88 40.83 -27.04 0.00 0.00
178
+ ATOM 178 C PTH 1 28.88 36.83 -31.04 0.00 0.00
179
+ ATOM 179 C PTH 1 28.88 37.83 -32.04 0.00 0.00
180
+ ATOM 180 C PTH 1 28.88 37.83 -31.04 0.00 0.00
181
+ ATOM 181 C PTH 1 28.88 37.83 -30.04 0.00 0.00
182
+ ATOM 182 C PTH 1 28.88 37.83 -29.04 0.00 0.00
183
+ ATOM 183 C PTH 1 28.88 38.83 -32.04 0.00 0.00
184
+ ATOM 184 C PTH 1 28.88 38.83 -31.04 0.00 0.00
185
+ ATOM 185 C PTH 1 28.88 38.83 -30.04 0.00 0.00
186
+ ATOM 186 C PTH 1 28.88 38.83 -29.04 0.00 0.00
187
+ ATOM 187 C PTH 1 28.88 39.83 -32.04 0.00 0.00
188
+ ATOM 188 C PTH 1 28.88 39.83 -31.04 0.00 0.00
189
+ ATOM 189 C PTH 1 28.88 39.83 -30.04 0.00 0.00
190
+ ATOM 190 C PTH 1 28.88 39.83 -29.04 0.00 0.00
191
+ ATOM 191 C PTH 1 28.88 39.83 -28.04 0.00 0.00
192
+ ATOM 192 C PTH 1 28.88 40.83 -32.04 0.00 0.00
193
+ ATOM 193 C PTH 1 28.88 40.83 -31.04 0.00 0.00
194
+ ATOM 194 C PTH 1 28.88 40.83 -30.04 0.00 0.00
195
+ ATOM 195 C PTH 1 28.88 40.83 -29.04 0.00 0.00
196
+ ATOM 196 C PTH 1 28.88 40.83 -28.04 0.00 0.00
197
+ ATOM 197 C PTH 1 29.88 37.83 -32.04 0.00 0.00
198
+ ATOM 198 C PTH 1 29.88 37.83 -31.04 0.00 0.00
199
+ ATOM 199 C PTH 1 29.88 37.83 -30.04 0.00 0.00
200
+ ATOM 200 C PTH 1 29.88 37.83 -29.04 0.00 0.00
201
+ ATOM 201 C PTH 1 29.88 38.83 -32.04 0.00 0.00
202
+ ATOM 202 C PTH 1 29.88 38.83 -31.04 0.00 0.00
203
+ ATOM 203 C PTH 1 29.88 38.83 -30.04 0.00 0.00
204
+ ATOM 204 C PTH 1 29.88 38.83 -29.04 0.00 0.00
205
+ ATOM 205 C PTH 1 29.88 39.83 -32.04 0.00 0.00
206
+ ATOM 206 C PTH 1 29.88 39.83 -31.04 0.00 0.00
207
+ ATOM 207 C PTH 1 29.88 39.83 -30.04 0.00 0.00
208
+ ATOM 208 C PTH 1 29.88 39.83 -29.04 0.00 0.00
209
+ ATOM 209 C PTH 1 29.88 40.83 -32.04 0.00 0.00
210
+ ATOM 210 C PTH 1 29.88 40.83 -31.04 0.00 0.00
211
+ ATOM 211 C PTH 1 29.88 40.83 -30.04 0.00 0.00
212
+ ATOM 212 C PTH 1 29.88 40.83 -29.04 0.00 0.00
213
+ ATOM 213 C PTH 1 29.88 41.83 -32.04 0.00 0.00
214
+ ATOM 214 C PTH 1 29.88 41.83 -31.04 0.00 0.00
215
+ ATOM 215 C PTH 1 30.88 38.83 -32.04 0.00 0.00
216
+ ATOM 216 C PTH 1 30.88 38.83 -31.04 0.00 0.00
217
+ ATOM 217 C PTH 1 30.88 38.83 -30.04 0.00 0.00
218
+ ATOM 218 C PTH 1 30.88 39.83 -32.04 0.00 0.00
219
+ ATOM 219 C PTH 1 30.88 39.83 -31.04 0.00 0.00
220
+ ATOM 220 C PTH 1 30.88 39.83 -30.04 0.00 0.00
221
+ ATOM 221 C PTH 1 30.88 39.83 -29.04 0.00 0.00
222
+ ATOM 222 C PTH 1 30.88 40.83 -32.04 0.00 0.00
223
+ ATOM 223 C PTH 1 30.88 40.83 -31.04 0.00 0.00
224
+ ATOM 224 C PTH 1 30.88 40.83 -30.04 0.00 0.00
225
+ ATOM 225 C PTH 1 30.88 41.83 -32.04 0.00 0.00
226
+ ATOM 226 C PTH 1 30.88 41.83 -31.04 0.00 0.00
data/files/A000K/pocket_05.pdb ADDED
@@ -0,0 +1,182 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 15.88 38.83 -5.04 0.00 0.00
2
+ ATOM 2 C PTH 1 15.88 38.83 -4.04 0.00 0.00
3
+ ATOM 3 C PTH 1 15.88 39.83 -5.04 0.00 0.00
4
+ ATOM 4 C PTH 1 15.88 39.83 -4.04 0.00 0.00
5
+ ATOM 5 C PTH 1 15.88 39.83 -3.04 0.00 0.00
6
+ ATOM 6 C PTH 1 15.88 40.83 -5.04 0.00 0.00
7
+ ATOM 7 C PTH 1 15.88 40.83 -4.04 0.00 0.00
8
+ ATOM 8 C PTH 1 15.88 40.83 -3.04 0.00 0.00
9
+ ATOM 9 C PTH 1 15.88 41.83 -5.04 0.00 0.00
10
+ ATOM 10 C PTH 1 16.88 38.83 -5.04 0.00 0.00
11
+ ATOM 11 C PTH 1 16.88 38.83 -4.04 0.00 0.00
12
+ ATOM 12 C PTH 1 16.88 38.83 -3.04 0.00 0.00
13
+ ATOM 13 C PTH 1 16.88 39.83 -6.04 0.00 0.00
14
+ ATOM 14 C PTH 1 16.88 39.83 -5.04 0.00 0.00
15
+ ATOM 15 C PTH 1 16.88 39.83 -4.04 0.00 0.00
16
+ ATOM 16 C PTH 1 16.88 39.83 -3.04 0.00 0.00
17
+ ATOM 17 C PTH 1 16.88 40.83 -8.04 0.00 0.00
18
+ ATOM 18 C PTH 1 16.88 40.83 -7.04 0.00 0.00
19
+ ATOM 19 C PTH 1 16.88 40.83 -6.04 0.00 0.00
20
+ ATOM 20 C PTH 1 16.88 40.83 -5.04 0.00 0.00
21
+ ATOM 21 C PTH 1 16.88 40.83 -4.04 0.00 0.00
22
+ ATOM 22 C PTH 1 16.88 40.83 -3.04 0.00 0.00
23
+ ATOM 23 C PTH 1 16.88 41.83 -9.04 0.00 0.00
24
+ ATOM 24 C PTH 1 16.88 41.83 -8.04 0.00 0.00
25
+ ATOM 25 C PTH 1 16.88 41.83 -7.04 0.00 0.00
26
+ ATOM 26 C PTH 1 16.88 41.83 -6.04 0.00 0.00
27
+ ATOM 27 C PTH 1 16.88 41.83 -5.04 0.00 0.00
28
+ ATOM 28 C PTH 1 16.88 41.83 -4.04 0.00 0.00
29
+ ATOM 29 C PTH 1 16.88 42.83 -11.04 0.00 0.00
30
+ ATOM 30 C PTH 1 16.88 42.83 -9.04 0.00 0.00
31
+ ATOM 31 C PTH 1 16.88 42.83 -8.04 0.00 0.00
32
+ ATOM 32 C PTH 1 16.88 42.83 -7.04 0.00 0.00
33
+ ATOM 33 C PTH 1 16.88 42.83 -6.04 0.00 0.00
34
+ ATOM 34 C PTH 1 16.88 42.83 -5.04 0.00 0.00
35
+ ATOM 35 C PTH 1 16.88 43.83 -7.04 0.00 0.00
36
+ ATOM 36 C PTH 1 16.88 43.83 -6.04 0.00 0.00
37
+ ATOM 37 C PTH 1 16.88 43.83 -5.04 0.00 0.00
38
+ ATOM 38 C PTH 1 17.88 38.83 -5.04 0.00 0.00
39
+ ATOM 39 C PTH 1 17.88 39.83 -10.04 0.00 0.00
40
+ ATOM 40 C PTH 1 17.88 39.83 -9.04 0.00 0.00
41
+ ATOM 41 C PTH 1 17.88 39.83 -8.04 0.00 0.00
42
+ ATOM 42 C PTH 1 17.88 39.83 -7.04 0.00 0.00
43
+ ATOM 43 C PTH 1 17.88 39.83 -6.04 0.00 0.00
44
+ ATOM 44 C PTH 1 17.88 39.83 -5.04 0.00 0.00
45
+ ATOM 45 C PTH 1 17.88 39.83 -4.04 0.00 0.00
46
+ ATOM 46 C PTH 1 17.88 39.83 -3.04 0.00 0.00
47
+ ATOM 47 C PTH 1 17.88 40.83 -14.04 0.00 0.00
48
+ ATOM 48 C PTH 1 17.88 40.83 -13.04 0.00 0.00
49
+ ATOM 49 C PTH 1 17.88 40.83 -12.04 0.00 0.00
50
+ ATOM 50 C PTH 1 17.88 40.83 -11.04 0.00 0.00
51
+ ATOM 51 C PTH 1 17.88 40.83 -10.04 0.00 0.00
52
+ ATOM 52 C PTH 1 17.88 40.83 -9.04 0.00 0.00
53
+ ATOM 53 C PTH 1 17.88 40.83 -8.04 0.00 0.00
54
+ ATOM 54 C PTH 1 17.88 40.83 -7.04 0.00 0.00
55
+ ATOM 55 C PTH 1 17.88 40.83 -6.04 0.00 0.00
56
+ ATOM 56 C PTH 1 17.88 40.83 -5.04 0.00 0.00
57
+ ATOM 57 C PTH 1 17.88 40.83 -4.04 0.00 0.00
58
+ ATOM 58 C PTH 1 17.88 40.83 -3.04 0.00 0.00
59
+ ATOM 59 C PTH 1 17.88 41.83 -14.04 0.00 0.00
60
+ ATOM 60 C PTH 1 17.88 41.83 -13.04 0.00 0.00
61
+ ATOM 61 C PTH 1 17.88 41.83 -12.04 0.00 0.00
62
+ ATOM 62 C PTH 1 17.88 41.83 -11.04 0.00 0.00
63
+ ATOM 63 C PTH 1 17.88 41.83 -10.04 0.00 0.00
64
+ ATOM 64 C PTH 1 17.88 41.83 -9.04 0.00 0.00
65
+ ATOM 65 C PTH 1 17.88 41.83 -8.04 0.00 0.00
66
+ ATOM 66 C PTH 1 17.88 41.83 -7.04 0.00 0.00
67
+ ATOM 67 C PTH 1 17.88 41.83 -6.04 0.00 0.00
68
+ ATOM 68 C PTH 1 17.88 41.83 -5.04 0.00 0.00
69
+ ATOM 69 C PTH 1 17.88 41.83 -4.04 0.00 0.00
70
+ ATOM 70 C PTH 1 17.88 42.83 -14.04 0.00 0.00
71
+ ATOM 71 C PTH 1 17.88 42.83 -13.04 0.00 0.00
72
+ ATOM 72 C PTH 1 17.88 42.83 -12.04 0.00 0.00
73
+ ATOM 73 C PTH 1 17.88 42.83 -11.04 0.00 0.00
74
+ ATOM 74 C PTH 1 17.88 42.83 -10.04 0.00 0.00
75
+ ATOM 75 C PTH 1 17.88 42.83 -9.04 0.00 0.00
76
+ ATOM 76 C PTH 1 17.88 42.83 -8.04 0.00 0.00
77
+ ATOM 77 C PTH 1 17.88 42.83 -7.04 0.00 0.00
78
+ ATOM 78 C PTH 1 17.88 42.83 -6.04 0.00 0.00
79
+ ATOM 79 C PTH 1 17.88 42.83 -5.04 0.00 0.00
80
+ ATOM 80 C PTH 1 17.88 43.83 -13.04 0.00 0.00
81
+ ATOM 81 C PTH 1 17.88 43.83 -12.04 0.00 0.00
82
+ ATOM 82 C PTH 1 17.88 43.83 -11.04 0.00 0.00
83
+ ATOM 83 C PTH 1 17.88 43.83 -10.04 0.00 0.00
84
+ ATOM 84 C PTH 1 17.88 43.83 -8.04 0.00 0.00
85
+ ATOM 85 C PTH 1 17.88 43.83 -7.04 0.00 0.00
86
+ ATOM 86 C PTH 1 17.88 43.83 -6.04 0.00 0.00
87
+ ATOM 87 C PTH 1 17.88 43.83 -5.04 0.00 0.00
88
+ ATOM 88 C PTH 1 18.88 39.83 -10.04 0.00 0.00
89
+ ATOM 89 C PTH 1 18.88 39.83 -9.04 0.00 0.00
90
+ ATOM 90 C PTH 1 18.88 39.83 -8.04 0.00 0.00
91
+ ATOM 91 C PTH 1 18.88 39.83 -7.04 0.00 0.00
92
+ ATOM 92 C PTH 1 18.88 39.83 -6.04 0.00 0.00
93
+ ATOM 93 C PTH 1 18.88 39.83 -5.04 0.00 0.00
94
+ ATOM 94 C PTH 1 18.88 39.83 -4.04 0.00 0.00
95
+ ATOM 95 C PTH 1 18.88 39.83 -3.04 0.00 0.00
96
+ ATOM 96 C PTH 1 18.88 40.83 -14.04 0.00 0.00
97
+ ATOM 97 C PTH 1 18.88 40.83 -13.04 0.00 0.00
98
+ ATOM 98 C PTH 1 18.88 40.83 -12.04 0.00 0.00
99
+ ATOM 99 C PTH 1 18.88 40.83 -11.04 0.00 0.00
100
+ ATOM 100 C PTH 1 18.88 40.83 -10.04 0.00 0.00
101
+ ATOM 101 C PTH 1 18.88 40.83 -9.04 0.00 0.00
102
+ ATOM 102 C PTH 1 18.88 40.83 -8.04 0.00 0.00
103
+ ATOM 103 C PTH 1 18.88 40.83 -7.04 0.00 0.00
104
+ ATOM 104 C PTH 1 18.88 40.83 -6.04 0.00 0.00
105
+ ATOM 105 C PTH 1 18.88 40.83 -5.04 0.00 0.00
106
+ ATOM 106 C PTH 1 18.88 40.83 -4.04 0.00 0.00
107
+ ATOM 107 C PTH 1 18.88 40.83 -3.04 0.00 0.00
108
+ ATOM 108 C PTH 1 18.88 41.83 -14.04 0.00 0.00
109
+ ATOM 109 C PTH 1 18.88 41.83 -13.04 0.00 0.00
110
+ ATOM 110 C PTH 1 18.88 41.83 -12.04 0.00 0.00
111
+ ATOM 111 C PTH 1 18.88 41.83 -11.04 0.00 0.00
112
+ ATOM 112 C PTH 1 18.88 41.83 -10.04 0.00 0.00
113
+ ATOM 113 C PTH 1 18.88 41.83 -9.04 0.00 0.00
114
+ ATOM 114 C PTH 1 18.88 41.83 -8.04 0.00 0.00
115
+ ATOM 115 C PTH 1 18.88 41.83 -7.04 0.00 0.00
116
+ ATOM 116 C PTH 1 18.88 41.83 -6.04 0.00 0.00
117
+ ATOM 117 C PTH 1 18.88 41.83 -5.04 0.00 0.00
118
+ ATOM 118 C PTH 1 18.88 41.83 -4.04 0.00 0.00
119
+ ATOM 119 C PTH 1 18.88 42.83 -14.04 0.00 0.00
120
+ ATOM 120 C PTH 1 18.88 42.83 -13.04 0.00 0.00
121
+ ATOM 121 C PTH 1 18.88 42.83 -12.04 0.00 0.00
122
+ ATOM 122 C PTH 1 18.88 42.83 -11.04 0.00 0.00
123
+ ATOM 123 C PTH 1 18.88 42.83 -10.04 0.00 0.00
124
+ ATOM 124 C PTH 1 18.88 42.83 -9.04 0.00 0.00
125
+ ATOM 125 C PTH 1 18.88 42.83 -8.04 0.00 0.00
126
+ ATOM 126 C PTH 1 18.88 42.83 -7.04 0.00 0.00
127
+ ATOM 127 C PTH 1 18.88 42.83 -6.04 0.00 0.00
128
+ ATOM 128 C PTH 1 18.88 42.83 -5.04 0.00 0.00
129
+ ATOM 129 C PTH 1 18.88 42.83 -4.04 0.00 0.00
130
+ ATOM 130 C PTH 1 18.88 43.83 -14.04 0.00 0.00
131
+ ATOM 131 C PTH 1 18.88 43.83 -13.04 0.00 0.00
132
+ ATOM 132 C PTH 1 18.88 43.83 -12.04 0.00 0.00
133
+ ATOM 133 C PTH 1 18.88 43.83 -11.04 0.00 0.00
134
+ ATOM 134 C PTH 1 18.88 43.83 -10.04 0.00 0.00
135
+ ATOM 135 C PTH 1 18.88 43.83 -9.04 0.00 0.00
136
+ ATOM 136 C PTH 1 19.88 40.83 -13.04 0.00 0.00
137
+ ATOM 137 C PTH 1 19.88 40.83 -12.04 0.00 0.00
138
+ ATOM 138 C PTH 1 19.88 40.83 -11.04 0.00 0.00
139
+ ATOM 139 C PTH 1 19.88 40.83 -10.04 0.00 0.00
140
+ ATOM 140 C PTH 1 19.88 40.83 -9.04 0.00 0.00
141
+ ATOM 141 C PTH 1 19.88 40.83 -8.04 0.00 0.00
142
+ ATOM 142 C PTH 1 19.88 40.83 -7.04 0.00 0.00
143
+ ATOM 143 C PTH 1 19.88 40.83 -6.04 0.00 0.00
144
+ ATOM 144 C PTH 1 19.88 40.83 -5.04 0.00 0.00
145
+ ATOM 145 C PTH 1 19.88 40.83 -4.04 0.00 0.00
146
+ ATOM 146 C PTH 1 19.88 41.83 -14.04 0.00 0.00
147
+ ATOM 147 C PTH 1 19.88 41.83 -13.04 0.00 0.00
148
+ ATOM 148 C PTH 1 19.88 41.83 -12.04 0.00 0.00
149
+ ATOM 149 C PTH 1 19.88 41.83 -11.04 0.00 0.00
150
+ ATOM 150 C PTH 1 19.88 41.83 -10.04 0.00 0.00
151
+ ATOM 151 C PTH 1 19.88 41.83 -9.04 0.00 0.00
152
+ ATOM 152 C PTH 1 19.88 41.83 -8.04 0.00 0.00
153
+ ATOM 153 C PTH 1 19.88 41.83 -7.04 0.00 0.00
154
+ ATOM 154 C PTH 1 19.88 41.83 -6.04 0.00 0.00
155
+ ATOM 155 C PTH 1 19.88 41.83 -5.04 0.00 0.00
156
+ ATOM 156 C PTH 1 19.88 42.83 -14.04 0.00 0.00
157
+ ATOM 157 C PTH 1 19.88 42.83 -13.04 0.00 0.00
158
+ ATOM 158 C PTH 1 19.88 42.83 -12.04 0.00 0.00
159
+ ATOM 159 C PTH 1 19.88 42.83 -11.04 0.00 0.00
160
+ ATOM 160 C PTH 1 19.88 42.83 -10.04 0.00 0.00
161
+ ATOM 161 C PTH 1 19.88 42.83 -9.04 0.00 0.00
162
+ ATOM 162 C PTH 1 19.88 42.83 -8.04 0.00 0.00
163
+ ATOM 163 C PTH 1 19.88 42.83 -7.04 0.00 0.00
164
+ ATOM 164 C PTH 1 19.88 42.83 -6.04 0.00 0.00
165
+ ATOM 165 C PTH 1 19.88 42.83 -5.04 0.00 0.00
166
+ ATOM 166 C PTH 1 19.88 42.83 -4.04 0.00 0.00
167
+ ATOM 167 C PTH 1 19.88 43.83 -14.04 0.00 0.00
168
+ ATOM 168 C PTH 1 19.88 43.83 -13.04 0.00 0.00
169
+ ATOM 169 C PTH 1 19.88 43.83 -12.04 0.00 0.00
170
+ ATOM 170 C PTH 1 19.88 43.83 -11.04 0.00 0.00
171
+ ATOM 171 C PTH 1 19.88 43.83 -9.04 0.00 0.00
172
+ ATOM 172 C PTH 1 20.88 40.83 -9.04 0.00 0.00
173
+ ATOM 173 C PTH 1 20.88 41.83 -11.04 0.00 0.00
174
+ ATOM 174 C PTH 1 20.88 41.83 -10.04 0.00 0.00
175
+ ATOM 175 C PTH 1 20.88 41.83 -9.04 0.00 0.00
176
+ ATOM 176 C PTH 1 20.88 41.83 -8.04 0.00 0.00
177
+ ATOM 177 C PTH 1 20.88 41.83 -7.04 0.00 0.00
178
+ ATOM 178 C PTH 1 20.88 42.83 -13.04 0.00 0.00
179
+ ATOM 179 C PTH 1 20.88 42.83 -8.04 0.00 0.00
180
+ ATOM 180 C PTH 1 20.88 42.83 -7.04 0.00 0.00
181
+ ATOM 181 C PTH 1 20.88 42.83 -6.04 0.00 0.00
182
+ ATOM 182 C PTH 1 20.88 43.83 -13.04 0.00 0.00
data/files/A000K/pocket_06.pdb ADDED
@@ -0,0 +1,175 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 5.88 14.83 -20.04 0.00 0.00
2
+ ATOM 2 C PTH 1 5.88 14.83 -19.04 0.00 0.00
3
+ ATOM 3 C PTH 1 5.88 14.83 -18.04 0.00 0.00
4
+ ATOM 4 C PTH 1 5.88 15.83 -20.04 0.00 0.00
5
+ ATOM 5 C PTH 1 5.88 15.83 -19.04 0.00 0.00
6
+ ATOM 6 C PTH 1 5.88 15.83 -18.04 0.00 0.00
7
+ ATOM 7 C PTH 1 5.88 16.83 -20.04 0.00 0.00
8
+ ATOM 8 C PTH 1 5.88 16.83 -19.04 0.00 0.00
9
+ ATOM 9 C PTH 1 5.88 16.83 -18.04 0.00 0.00
10
+ ATOM 10 C PTH 1 5.88 17.83 -19.04 0.00 0.00
11
+ ATOM 11 C PTH 1 5.88 17.83 -18.04 0.00 0.00
12
+ ATOM 12 C PTH 1 5.88 18.83 -19.04 0.00 0.00
13
+ ATOM 13 C PTH 1 5.88 18.83 -18.04 0.00 0.00
14
+ ATOM 14 C PTH 1 5.88 19.83 -19.04 0.00 0.00
15
+ ATOM 15 C PTH 1 5.88 19.83 -18.04 0.00 0.00
16
+ ATOM 16 C PTH 1 5.88 19.83 -17.04 0.00 0.00
17
+ ATOM 17 C PTH 1 5.88 20.83 -19.04 0.00 0.00
18
+ ATOM 18 C PTH 1 5.88 20.83 -18.04 0.00 0.00
19
+ ATOM 19 C PTH 1 6.88 14.83 -20.04 0.00 0.00
20
+ ATOM 20 C PTH 1 6.88 14.83 -19.04 0.00 0.00
21
+ ATOM 21 C PTH 1 6.88 14.83 -18.04 0.00 0.00
22
+ ATOM 22 C PTH 1 6.88 15.83 -20.04 0.00 0.00
23
+ ATOM 23 C PTH 1 6.88 15.83 -19.04 0.00 0.00
24
+ ATOM 24 C PTH 1 6.88 15.83 -18.04 0.00 0.00
25
+ ATOM 25 C PTH 1 6.88 16.83 -20.04 0.00 0.00
26
+ ATOM 26 C PTH 1 6.88 16.83 -19.04 0.00 0.00
27
+ ATOM 27 C PTH 1 6.88 16.83 -18.04 0.00 0.00
28
+ ATOM 28 C PTH 1 6.88 16.83 -17.04 0.00 0.00
29
+ ATOM 29 C PTH 1 6.88 17.83 -20.04 0.00 0.00
30
+ ATOM 30 C PTH 1 6.88 17.83 -19.04 0.00 0.00
31
+ ATOM 31 C PTH 1 6.88 17.83 -18.04 0.00 0.00
32
+ ATOM 32 C PTH 1 6.88 17.83 -17.04 0.00 0.00
33
+ ATOM 33 C PTH 1 6.88 18.83 -20.04 0.00 0.00
34
+ ATOM 34 C PTH 1 6.88 18.83 -19.04 0.00 0.00
35
+ ATOM 35 C PTH 1 6.88 18.83 -18.04 0.00 0.00
36
+ ATOM 36 C PTH 1 6.88 18.83 -17.04 0.00 0.00
37
+ ATOM 37 C PTH 1 6.88 19.83 -20.04 0.00 0.00
38
+ ATOM 38 C PTH 1 6.88 19.83 -19.04 0.00 0.00
39
+ ATOM 39 C PTH 1 6.88 19.83 -18.04 0.00 0.00
40
+ ATOM 40 C PTH 1 6.88 19.83 -17.04 0.00 0.00
41
+ ATOM 41 C PTH 1 6.88 20.83 -20.04 0.00 0.00
42
+ ATOM 42 C PTH 1 6.88 20.83 -19.04 0.00 0.00
43
+ ATOM 43 C PTH 1 6.88 20.83 -18.04 0.00 0.00
44
+ ATOM 44 C PTH 1 6.88 20.83 -17.04 0.00 0.00
45
+ ATOM 45 C PTH 1 6.88 21.83 -21.04 0.00 0.00
46
+ ATOM 46 C PTH 1 6.88 21.83 -20.04 0.00 0.00
47
+ ATOM 47 C PTH 1 6.88 21.83 -19.04 0.00 0.00
48
+ ATOM 48 C PTH 1 7.88 14.83 -19.04 0.00 0.00
49
+ ATOM 49 C PTH 1 7.88 14.83 -18.04 0.00 0.00
50
+ ATOM 50 C PTH 1 7.88 15.83 -20.04 0.00 0.00
51
+ ATOM 51 C PTH 1 7.88 15.83 -19.04 0.00 0.00
52
+ ATOM 52 C PTH 1 7.88 15.83 -18.04 0.00 0.00
53
+ ATOM 53 C PTH 1 7.88 15.83 -17.04 0.00 0.00
54
+ ATOM 54 C PTH 1 7.88 16.83 -20.04 0.00 0.00
55
+ ATOM 55 C PTH 1 7.88 16.83 -19.04 0.00 0.00
56
+ ATOM 56 C PTH 1 7.88 16.83 -18.04 0.00 0.00
57
+ ATOM 57 C PTH 1 7.88 16.83 -17.04 0.00 0.00
58
+ ATOM 58 C PTH 1 7.88 17.83 -21.04 0.00 0.00
59
+ ATOM 59 C PTH 1 7.88 17.83 -20.04 0.00 0.00
60
+ ATOM 60 C PTH 1 7.88 17.83 -19.04 0.00 0.00
61
+ ATOM 61 C PTH 1 7.88 17.83 -18.04 0.00 0.00
62
+ ATOM 62 C PTH 1 7.88 17.83 -17.04 0.00 0.00
63
+ ATOM 63 C PTH 1 7.88 17.83 -16.04 0.00 0.00
64
+ ATOM 64 C PTH 1 7.88 18.83 -20.04 0.00 0.00
65
+ ATOM 65 C PTH 1 7.88 18.83 -19.04 0.00 0.00
66
+ ATOM 66 C PTH 1 7.88 18.83 -18.04 0.00 0.00
67
+ ATOM 67 C PTH 1 7.88 18.83 -17.04 0.00 0.00
68
+ ATOM 68 C PTH 1 7.88 18.83 -16.04 0.00 0.00
69
+ ATOM 69 C PTH 1 7.88 19.83 -20.04 0.00 0.00
70
+ ATOM 70 C PTH 1 7.88 19.83 -19.04 0.00 0.00
71
+ ATOM 71 C PTH 1 7.88 19.83 -18.04 0.00 0.00
72
+ ATOM 72 C PTH 1 7.88 19.83 -17.04 0.00 0.00
73
+ ATOM 73 C PTH 1 7.88 19.83 -16.04 0.00 0.00
74
+ ATOM 74 C PTH 1 7.88 20.83 -21.04 0.00 0.00
75
+ ATOM 75 C PTH 1 7.88 20.83 -20.04 0.00 0.00
76
+ ATOM 76 C PTH 1 7.88 20.83 -19.04 0.00 0.00
77
+ ATOM 77 C PTH 1 7.88 20.83 -18.04 0.00 0.00
78
+ ATOM 78 C PTH 1 7.88 20.83 -17.04 0.00 0.00
79
+ ATOM 79 C PTH 1 7.88 21.83 -21.04 0.00 0.00
80
+ ATOM 80 C PTH 1 7.88 21.83 -20.04 0.00 0.00
81
+ ATOM 81 C PTH 1 7.88 21.83 -19.04 0.00 0.00
82
+ ATOM 82 C PTH 1 8.88 14.83 -19.04 0.00 0.00
83
+ ATOM 83 C PTH 1 8.88 15.83 -20.04 0.00 0.00
84
+ ATOM 84 C PTH 1 8.88 15.83 -19.04 0.00 0.00
85
+ ATOM 85 C PTH 1 8.88 15.83 -18.04 0.00 0.00
86
+ ATOM 86 C PTH 1 8.88 15.83 -17.04 0.00 0.00
87
+ ATOM 87 C PTH 1 8.88 16.83 -21.04 0.00 0.00
88
+ ATOM 88 C PTH 1 8.88 16.83 -20.04 0.00 0.00
89
+ ATOM 89 C PTH 1 8.88 16.83 -19.04 0.00 0.00
90
+ ATOM 90 C PTH 1 8.88 16.83 -18.04 0.00 0.00
91
+ ATOM 91 C PTH 1 8.88 16.83 -17.04 0.00 0.00
92
+ ATOM 92 C PTH 1 8.88 16.83 -16.04 0.00 0.00
93
+ ATOM 93 C PTH 1 8.88 17.83 -21.04 0.00 0.00
94
+ ATOM 94 C PTH 1 8.88 17.83 -20.04 0.00 0.00
95
+ ATOM 95 C PTH 1 8.88 17.83 -19.04 0.00 0.00
96
+ ATOM 96 C PTH 1 8.88 17.83 -18.04 0.00 0.00
97
+ ATOM 97 C PTH 1 8.88 17.83 -17.04 0.00 0.00
98
+ ATOM 98 C PTH 1 8.88 17.83 -16.04 0.00 0.00
99
+ ATOM 99 C PTH 1 8.88 17.83 -15.04 0.00 0.00
100
+ ATOM 100 C PTH 1 8.88 18.83 -20.04 0.00 0.00
101
+ ATOM 101 C PTH 1 8.88 18.83 -19.04 0.00 0.00
102
+ ATOM 102 C PTH 1 8.88 18.83 -18.04 0.00 0.00
103
+ ATOM 103 C PTH 1 8.88 18.83 -17.04 0.00 0.00
104
+ ATOM 104 C PTH 1 8.88 18.83 -16.04 0.00 0.00
105
+ ATOM 105 C PTH 1 8.88 18.83 -15.04 0.00 0.00
106
+ ATOM 106 C PTH 1 8.88 18.83 -14.04 0.00 0.00
107
+ ATOM 107 C PTH 1 8.88 19.83 -20.04 0.00 0.00
108
+ ATOM 108 C PTH 1 8.88 19.83 -19.04 0.00 0.00
109
+ ATOM 109 C PTH 1 8.88 19.83 -18.04 0.00 0.00
110
+ ATOM 110 C PTH 1 8.88 19.83 -17.04 0.00 0.00
111
+ ATOM 111 C PTH 1 8.88 19.83 -16.04 0.00 0.00
112
+ ATOM 112 C PTH 1 8.88 19.83 -15.04 0.00 0.00
113
+ ATOM 113 C PTH 1 8.88 20.83 -21.04 0.00 0.00
114
+ ATOM 114 C PTH 1 8.88 20.83 -20.04 0.00 0.00
115
+ ATOM 115 C PTH 1 8.88 20.83 -19.04 0.00 0.00
116
+ ATOM 116 C PTH 1 8.88 20.83 -18.04 0.00 0.00
117
+ ATOM 117 C PTH 1 8.88 20.83 -17.04 0.00 0.00
118
+ ATOM 118 C PTH 1 8.88 20.83 -16.04 0.00 0.00
119
+ ATOM 119 C PTH 1 8.88 21.83 -20.04 0.00 0.00
120
+ ATOM 120 C PTH 1 8.88 21.83 -19.04 0.00 0.00
121
+ ATOM 121 C PTH 1 8.88 21.83 -18.04 0.00 0.00
122
+ ATOM 122 C PTH 1 9.88 15.83 -19.04 0.00 0.00
123
+ ATOM 123 C PTH 1 9.88 15.83 -18.04 0.00 0.00
124
+ ATOM 124 C PTH 1 9.88 16.83 -20.04 0.00 0.00
125
+ ATOM 125 C PTH 1 9.88 16.83 -19.04 0.00 0.00
126
+ ATOM 126 C PTH 1 9.88 16.83 -18.04 0.00 0.00
127
+ ATOM 127 C PTH 1 9.88 16.83 -17.04 0.00 0.00
128
+ ATOM 128 C PTH 1 9.88 16.83 -16.04 0.00 0.00
129
+ ATOM 129 C PTH 1 9.88 17.83 -20.04 0.00 0.00
130
+ ATOM 130 C PTH 1 9.88 17.83 -19.04 0.00 0.00
131
+ ATOM 131 C PTH 1 9.88 17.83 -18.04 0.00 0.00
132
+ ATOM 132 C PTH 1 9.88 17.83 -17.04 0.00 0.00
133
+ ATOM 133 C PTH 1 9.88 17.83 -16.04 0.00 0.00
134
+ ATOM 134 C PTH 1 9.88 17.83 -15.04 0.00 0.00
135
+ ATOM 135 C PTH 1 9.88 18.83 -20.04 0.00 0.00
136
+ ATOM 136 C PTH 1 9.88 18.83 -19.04 0.00 0.00
137
+ ATOM 137 C PTH 1 9.88 18.83 -18.04 0.00 0.00
138
+ ATOM 138 C PTH 1 9.88 18.83 -17.04 0.00 0.00
139
+ ATOM 139 C PTH 1 9.88 18.83 -16.04 0.00 0.00
140
+ ATOM 140 C PTH 1 9.88 18.83 -15.04 0.00 0.00
141
+ ATOM 141 C PTH 1 9.88 18.83 -14.04 0.00 0.00
142
+ ATOM 142 C PTH 1 9.88 19.83 -19.04 0.00 0.00
143
+ ATOM 143 C PTH 1 9.88 19.83 -18.04 0.00 0.00
144
+ ATOM 144 C PTH 1 9.88 19.83 -17.04 0.00 0.00
145
+ ATOM 145 C PTH 1 9.88 19.83 -16.04 0.00 0.00
146
+ ATOM 146 C PTH 1 9.88 19.83 -15.04 0.00 0.00
147
+ ATOM 147 C PTH 1 9.88 19.83 -14.04 0.00 0.00
148
+ ATOM 148 C PTH 1 9.88 20.83 -20.04 0.00 0.00
149
+ ATOM 149 C PTH 1 9.88 20.83 -19.04 0.00 0.00
150
+ ATOM 150 C PTH 1 9.88 20.83 -18.04 0.00 0.00
151
+ ATOM 151 C PTH 1 9.88 20.83 -17.04 0.00 0.00
152
+ ATOM 152 C PTH 1 9.88 20.83 -16.04 0.00 0.00
153
+ ATOM 153 C PTH 1 9.88 20.83 -15.04 0.00 0.00
154
+ ATOM 154 C PTH 1 9.88 20.83 -14.04 0.00 0.00
155
+ ATOM 155 C PTH 1 9.88 21.83 -19.04 0.00 0.00
156
+ ATOM 156 C PTH 1 9.88 21.83 -18.04 0.00 0.00
157
+ ATOM 157 C PTH 1 10.88 17.83 -17.04 0.00 0.00
158
+ ATOM 158 C PTH 1 10.88 17.83 -16.04 0.00 0.00
159
+ ATOM 159 C PTH 1 10.88 17.83 -15.04 0.00 0.00
160
+ ATOM 160 C PTH 1 10.88 18.83 -17.04 0.00 0.00
161
+ ATOM 161 C PTH 1 10.88 18.83 -16.04 0.00 0.00
162
+ ATOM 162 C PTH 1 10.88 18.83 -15.04 0.00 0.00
163
+ ATOM 163 C PTH 1 10.88 18.83 -14.04 0.00 0.00
164
+ ATOM 164 C PTH 1 10.88 19.83 -18.04 0.00 0.00
165
+ ATOM 165 C PTH 1 10.88 19.83 -17.04 0.00 0.00
166
+ ATOM 166 C PTH 1 10.88 19.83 -16.04 0.00 0.00
167
+ ATOM 167 C PTH 1 10.88 19.83 -15.04 0.00 0.00
168
+ ATOM 168 C PTH 1 10.88 19.83 -14.04 0.00 0.00
169
+ ATOM 169 C PTH 1 10.88 20.83 -18.04 0.00 0.00
170
+ ATOM 170 C PTH 1 10.88 20.83 -17.04 0.00 0.00
171
+ ATOM 171 C PTH 1 10.88 20.83 -16.04 0.00 0.00
172
+ ATOM 172 C PTH 1 10.88 20.83 -15.04 0.00 0.00
173
+ ATOM 173 C PTH 1 10.88 20.83 -14.04 0.00 0.00
174
+ ATOM 174 C PTH 1 10.88 21.83 -18.04 0.00 0.00
175
+ ATOM 175 C PTH 1 11.88 20.83 -17.04 0.00 0.00
data/files/A000K/pocket_07.pdb ADDED
@@ -0,0 +1,138 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 15.88 42.83 -23.04 0.00 0.00
2
+ ATOM 2 C PTH 1 15.88 42.83 -22.04 0.00 0.00
3
+ ATOM 3 C PTH 1 15.88 42.83 -21.04 0.00 0.00
4
+ ATOM 4 C PTH 1 15.88 43.83 -23.04 0.00 0.00
5
+ ATOM 5 C PTH 1 15.88 43.83 -22.04 0.00 0.00
6
+ ATOM 6 C PTH 1 15.88 43.83 -21.04 0.00 0.00
7
+ ATOM 7 C PTH 1 15.88 43.83 -20.04 0.00 0.00
8
+ ATOM 8 C PTH 1 15.88 44.83 -22.04 0.00 0.00
9
+ ATOM 9 C PTH 1 15.88 44.83 -21.04 0.00 0.00
10
+ ATOM 10 C PTH 1 15.88 44.83 -20.04 0.00 0.00
11
+ ATOM 11 C PTH 1 16.88 40.83 -20.04 0.00 0.00
12
+ ATOM 12 C PTH 1 16.88 40.83 -19.04 0.00 0.00
13
+ ATOM 13 C PTH 1 16.88 40.83 -18.04 0.00 0.00
14
+ ATOM 14 C PTH 1 16.88 41.83 -22.04 0.00 0.00
15
+ ATOM 15 C PTH 1 16.88 41.83 -21.04 0.00 0.00
16
+ ATOM 16 C PTH 1 16.88 41.83 -20.04 0.00 0.00
17
+ ATOM 17 C PTH 1 16.88 41.83 -19.04 0.00 0.00
18
+ ATOM 18 C PTH 1 16.88 41.83 -18.04 0.00 0.00
19
+ ATOM 19 C PTH 1 16.88 42.83 -23.04 0.00 0.00
20
+ ATOM 20 C PTH 1 16.88 42.83 -22.04 0.00 0.00
21
+ ATOM 21 C PTH 1 16.88 42.83 -21.04 0.00 0.00
22
+ ATOM 22 C PTH 1 16.88 42.83 -20.04 0.00 0.00
23
+ ATOM 23 C PTH 1 16.88 42.83 -19.04 0.00 0.00
24
+ ATOM 24 C PTH 1 16.88 42.83 -18.04 0.00 0.00
25
+ ATOM 25 C PTH 1 16.88 43.83 -23.04 0.00 0.00
26
+ ATOM 26 C PTH 1 16.88 43.83 -22.04 0.00 0.00
27
+ ATOM 27 C PTH 1 16.88 43.83 -21.04 0.00 0.00
28
+ ATOM 28 C PTH 1 16.88 43.83 -20.04 0.00 0.00
29
+ ATOM 29 C PTH 1 16.88 43.83 -19.04 0.00 0.00
30
+ ATOM 30 C PTH 1 16.88 43.83 -18.04 0.00 0.00
31
+ ATOM 31 C PTH 1 16.88 44.83 -21.04 0.00 0.00
32
+ ATOM 32 C PTH 1 16.88 44.83 -20.04 0.00 0.00
33
+ ATOM 33 C PTH 1 17.88 39.83 -20.04 0.00 0.00
34
+ ATOM 34 C PTH 1 17.88 39.83 -19.04 0.00 0.00
35
+ ATOM 35 C PTH 1 17.88 39.83 -18.04 0.00 0.00
36
+ ATOM 36 C PTH 1 17.88 39.83 -17.04 0.00 0.00
37
+ ATOM 37 C PTH 1 17.88 40.83 -20.04 0.00 0.00
38
+ ATOM 38 C PTH 1 17.88 40.83 -19.04 0.00 0.00
39
+ ATOM 39 C PTH 1 17.88 40.83 -18.04 0.00 0.00
40
+ ATOM 40 C PTH 1 17.88 40.83 -17.04 0.00 0.00
41
+ ATOM 41 C PTH 1 17.88 40.83 -16.04 0.00 0.00
42
+ ATOM 42 C PTH 1 17.88 41.83 -22.04 0.00 0.00
43
+ ATOM 43 C PTH 1 17.88 41.83 -21.04 0.00 0.00
44
+ ATOM 44 C PTH 1 17.88 41.83 -20.04 0.00 0.00
45
+ ATOM 45 C PTH 1 17.88 41.83 -19.04 0.00 0.00
46
+ ATOM 46 C PTH 1 17.88 41.83 -18.04 0.00 0.00
47
+ ATOM 47 C PTH 1 17.88 41.83 -17.04 0.00 0.00
48
+ ATOM 48 C PTH 1 17.88 41.83 -16.04 0.00 0.00
49
+ ATOM 49 C PTH 1 17.88 42.83 -23.04 0.00 0.00
50
+ ATOM 50 C PTH 1 17.88 42.83 -22.04 0.00 0.00
51
+ ATOM 51 C PTH 1 17.88 42.83 -21.04 0.00 0.00
52
+ ATOM 52 C PTH 1 17.88 42.83 -20.04 0.00 0.00
53
+ ATOM 53 C PTH 1 17.88 42.83 -19.04 0.00 0.00
54
+ ATOM 54 C PTH 1 17.88 42.83 -18.04 0.00 0.00
55
+ ATOM 55 C PTH 1 17.88 42.83 -17.04 0.00 0.00
56
+ ATOM 56 C PTH 1 17.88 42.83 -16.04 0.00 0.00
57
+ ATOM 57 C PTH 1 17.88 43.83 -23.04 0.00 0.00
58
+ ATOM 58 C PTH 1 17.88 43.83 -22.04 0.00 0.00
59
+ ATOM 59 C PTH 1 17.88 43.83 -21.04 0.00 0.00
60
+ ATOM 60 C PTH 1 17.88 43.83 -20.04 0.00 0.00
61
+ ATOM 61 C PTH 1 17.88 43.83 -19.04 0.00 0.00
62
+ ATOM 62 C PTH 1 17.88 43.83 -18.04 0.00 0.00
63
+ ATOM 63 C PTH 1 17.88 44.83 -22.04 0.00 0.00
64
+ ATOM 64 C PTH 1 17.88 44.83 -21.04 0.00 0.00
65
+ ATOM 65 C PTH 1 17.88 44.83 -20.04 0.00 0.00
66
+ ATOM 66 C PTH 1 17.88 44.83 -19.04 0.00 0.00
67
+ ATOM 67 C PTH 1 18.88 38.83 -20.04 0.00 0.00
68
+ ATOM 68 C PTH 1 18.88 38.83 -19.04 0.00 0.00
69
+ ATOM 69 C PTH 1 18.88 38.83 -18.04 0.00 0.00
70
+ ATOM 70 C PTH 1 18.88 38.83 -17.04 0.00 0.00
71
+ ATOM 71 C PTH 1 18.88 38.83 -16.04 0.00 0.00
72
+ ATOM 72 C PTH 1 18.88 39.83 -20.04 0.00 0.00
73
+ ATOM 73 C PTH 1 18.88 39.83 -19.04 0.00 0.00
74
+ ATOM 74 C PTH 1 18.88 39.83 -18.04 0.00 0.00
75
+ ATOM 75 C PTH 1 18.88 39.83 -17.04 0.00 0.00
76
+ ATOM 76 C PTH 1 18.88 39.83 -16.04 0.00 0.00
77
+ ATOM 77 C PTH 1 18.88 40.83 -20.04 0.00 0.00
78
+ ATOM 78 C PTH 1 18.88 40.83 -19.04 0.00 0.00
79
+ ATOM 79 C PTH 1 18.88 40.83 -18.04 0.00 0.00
80
+ ATOM 80 C PTH 1 18.88 40.83 -17.04 0.00 0.00
81
+ ATOM 81 C PTH 1 18.88 40.83 -16.04 0.00 0.00
82
+ ATOM 82 C PTH 1 18.88 41.83 -22.04 0.00 0.00
83
+ ATOM 83 C PTH 1 18.88 41.83 -21.04 0.00 0.00
84
+ ATOM 84 C PTH 1 18.88 41.83 -20.04 0.00 0.00
85
+ ATOM 85 C PTH 1 18.88 41.83 -19.04 0.00 0.00
86
+ ATOM 86 C PTH 1 18.88 41.83 -18.04 0.00 0.00
87
+ ATOM 87 C PTH 1 18.88 41.83 -17.04 0.00 0.00
88
+ ATOM 88 C PTH 1 18.88 41.83 -16.04 0.00 0.00
89
+ ATOM 89 C PTH 1 18.88 42.83 -23.04 0.00 0.00
90
+ ATOM 90 C PTH 1 18.88 42.83 -22.04 0.00 0.00
91
+ ATOM 91 C PTH 1 18.88 42.83 -21.04 0.00 0.00
92
+ ATOM 92 C PTH 1 18.88 42.83 -20.04 0.00 0.00
93
+ ATOM 93 C PTH 1 18.88 42.83 -19.04 0.00 0.00
94
+ ATOM 94 C PTH 1 18.88 42.83 -18.04 0.00 0.00
95
+ ATOM 95 C PTH 1 18.88 42.83 -17.04 0.00 0.00
96
+ ATOM 96 C PTH 1 18.88 42.83 -16.04 0.00 0.00
97
+ ATOM 97 C PTH 1 18.88 43.83 -22.04 0.00 0.00
98
+ ATOM 98 C PTH 1 18.88 43.83 -21.04 0.00 0.00
99
+ ATOM 99 C PTH 1 18.88 43.83 -20.04 0.00 0.00
100
+ ATOM 100 C PTH 1 18.88 43.83 -19.04 0.00 0.00
101
+ ATOM 101 C PTH 1 18.88 43.83 -18.04 0.00 0.00
102
+ ATOM 102 C PTH 1 18.88 43.83 -17.04 0.00 0.00
103
+ ATOM 103 C PTH 1 18.88 44.83 -22.04 0.00 0.00
104
+ ATOM 104 C PTH 1 18.88 44.83 -21.04 0.00 0.00
105
+ ATOM 105 C PTH 1 18.88 44.83 -20.04 0.00 0.00
106
+ ATOM 106 C PTH 1 18.88 44.83 -19.04 0.00 0.00
107
+ ATOM 107 C PTH 1 19.88 38.83 -19.04 0.00 0.00
108
+ ATOM 108 C PTH 1 19.88 38.83 -18.04 0.00 0.00
109
+ ATOM 109 C PTH 1 19.88 38.83 -17.04 0.00 0.00
110
+ ATOM 110 C PTH 1 19.88 38.83 -16.04 0.00 0.00
111
+ ATOM 111 C PTH 1 19.88 39.83 -20.04 0.00 0.00
112
+ ATOM 112 C PTH 1 19.88 39.83 -19.04 0.00 0.00
113
+ ATOM 113 C PTH 1 19.88 39.83 -18.04 0.00 0.00
114
+ ATOM 114 C PTH 1 19.88 39.83 -17.04 0.00 0.00
115
+ ATOM 115 C PTH 1 19.88 39.83 -16.04 0.00 0.00
116
+ ATOM 116 C PTH 1 19.88 40.83 -20.04 0.00 0.00
117
+ ATOM 117 C PTH 1 19.88 40.83 -19.04 0.00 0.00
118
+ ATOM 118 C PTH 1 19.88 40.83 -18.04 0.00 0.00
119
+ ATOM 119 C PTH 1 19.88 40.83 -17.04 0.00 0.00
120
+ ATOM 120 C PTH 1 19.88 40.83 -16.04 0.00 0.00
121
+ ATOM 121 C PTH 1 19.88 41.83 -20.04 0.00 0.00
122
+ ATOM 122 C PTH 1 19.88 41.83 -19.04 0.00 0.00
123
+ ATOM 123 C PTH 1 19.88 41.83 -18.04 0.00 0.00
124
+ ATOM 124 C PTH 1 19.88 41.83 -17.04 0.00 0.00
125
+ ATOM 125 C PTH 1 19.88 41.83 -16.04 0.00 0.00
126
+ ATOM 126 C PTH 1 19.88 42.83 -23.04 0.00 0.00
127
+ ATOM 127 C PTH 1 19.88 42.83 -19.04 0.00 0.00
128
+ ATOM 128 C PTH 1 19.88 42.83 -18.04 0.00 0.00
129
+ ATOM 129 C PTH 1 19.88 43.83 -23.04 0.00 0.00
130
+ ATOM 130 C PTH 1 19.88 43.83 -22.04 0.00 0.00
131
+ ATOM 131 C PTH 1 20.88 38.83 -19.04 0.00 0.00
132
+ ATOM 132 C PTH 1 20.88 38.83 -18.04 0.00 0.00
133
+ ATOM 133 C PTH 1 20.88 38.83 -17.04 0.00 0.00
134
+ ATOM 134 C PTH 1 20.88 39.83 -18.04 0.00 0.00
135
+ ATOM 135 C PTH 1 20.88 39.83 -17.04 0.00 0.00
136
+ ATOM 136 C PTH 1 20.88 39.83 -16.04 0.00 0.00
137
+ ATOM 137 C PTH 1 20.88 40.83 -18.04 0.00 0.00
138
+ ATOM 138 C PTH 1 20.88 40.83 -17.04 0.00 0.00
data/files/A000K/pocket_08.pdb ADDED
@@ -0,0 +1,128 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 8.88 22.83 -37.04 0.00 0.00
2
+ ATOM 2 C PTH 1 8.88 22.83 -36.04 0.00 0.00
3
+ ATOM 3 C PTH 1 8.88 22.83 -35.04 0.00 0.00
4
+ ATOM 4 C PTH 1 8.88 23.83 -38.04 0.00 0.00
5
+ ATOM 5 C PTH 1 8.88 23.83 -37.04 0.00 0.00
6
+ ATOM 6 C PTH 1 8.88 23.83 -36.04 0.00 0.00
7
+ ATOM 7 C PTH 1 8.88 24.83 -38.04 0.00 0.00
8
+ ATOM 8 C PTH 1 8.88 24.83 -37.04 0.00 0.00
9
+ ATOM 9 C PTH 1 9.88 21.83 -38.04 0.00 0.00
10
+ ATOM 10 C PTH 1 9.88 21.83 -37.04 0.00 0.00
11
+ ATOM 11 C PTH 1 9.88 21.83 -36.04 0.00 0.00
12
+ ATOM 12 C PTH 1 9.88 21.83 -35.04 0.00 0.00
13
+ ATOM 13 C PTH 1 9.88 22.83 -39.04 0.00 0.00
14
+ ATOM 14 C PTH 1 9.88 22.83 -38.04 0.00 0.00
15
+ ATOM 15 C PTH 1 9.88 22.83 -37.04 0.00 0.00
16
+ ATOM 16 C PTH 1 9.88 22.83 -36.04 0.00 0.00
17
+ ATOM 17 C PTH 1 9.88 22.83 -35.04 0.00 0.00
18
+ ATOM 18 C PTH 1 9.88 23.83 -39.04 0.00 0.00
19
+ ATOM 19 C PTH 1 9.88 23.83 -38.04 0.00 0.00
20
+ ATOM 20 C PTH 1 9.88 23.83 -37.04 0.00 0.00
21
+ ATOM 21 C PTH 1 9.88 23.83 -36.04 0.00 0.00
22
+ ATOM 22 C PTH 1 9.88 23.83 -35.04 0.00 0.00
23
+ ATOM 23 C PTH 1 9.88 24.83 -39.04 0.00 0.00
24
+ ATOM 24 C PTH 1 9.88 24.83 -38.04 0.00 0.00
25
+ ATOM 25 C PTH 1 9.88 24.83 -37.04 0.00 0.00
26
+ ATOM 26 C PTH 1 9.88 24.83 -36.04 0.00 0.00
27
+ ATOM 27 C PTH 1 9.88 24.83 -35.04 0.00 0.00
28
+ ATOM 28 C PTH 1 9.88 25.83 -38.04 0.00 0.00
29
+ ATOM 29 C PTH 1 9.88 25.83 -37.04 0.00 0.00
30
+ ATOM 30 C PTH 1 9.88 25.83 -36.04 0.00 0.00
31
+ ATOM 31 C PTH 1 9.88 25.83 -35.04 0.00 0.00
32
+ ATOM 32 C PTH 1 10.88 20.83 -37.04 0.00 0.00
33
+ ATOM 33 C PTH 1 10.88 20.83 -36.04 0.00 0.00
34
+ ATOM 34 C PTH 1 10.88 21.83 -38.04 0.00 0.00
35
+ ATOM 35 C PTH 1 10.88 21.83 -37.04 0.00 0.00
36
+ ATOM 36 C PTH 1 10.88 21.83 -36.04 0.00 0.00
37
+ ATOM 37 C PTH 1 10.88 21.83 -35.04 0.00 0.00
38
+ ATOM 38 C PTH 1 10.88 22.83 -39.04 0.00 0.00
39
+ ATOM 39 C PTH 1 10.88 22.83 -38.04 0.00 0.00
40
+ ATOM 40 C PTH 1 10.88 22.83 -37.04 0.00 0.00
41
+ ATOM 41 C PTH 1 10.88 22.83 -36.04 0.00 0.00
42
+ ATOM 42 C PTH 1 10.88 22.83 -35.04 0.00 0.00
43
+ ATOM 43 C PTH 1 10.88 22.83 -34.04 0.00 0.00
44
+ ATOM 44 C PTH 1 10.88 23.83 -39.04 0.00 0.00
45
+ ATOM 45 C PTH 1 10.88 23.83 -38.04 0.00 0.00
46
+ ATOM 46 C PTH 1 10.88 23.83 -37.04 0.00 0.00
47
+ ATOM 47 C PTH 1 10.88 23.83 -36.04 0.00 0.00
48
+ ATOM 48 C PTH 1 10.88 23.83 -35.04 0.00 0.00
49
+ ATOM 49 C PTH 1 10.88 23.83 -34.04 0.00 0.00
50
+ ATOM 50 C PTH 1 10.88 24.83 -39.04 0.00 0.00
51
+ ATOM 51 C PTH 1 10.88 24.83 -38.04 0.00 0.00
52
+ ATOM 52 C PTH 1 10.88 24.83 -37.04 0.00 0.00
53
+ ATOM 53 C PTH 1 10.88 24.83 -36.04 0.00 0.00
54
+ ATOM 54 C PTH 1 10.88 24.83 -35.04 0.00 0.00
55
+ ATOM 55 C PTH 1 10.88 24.83 -34.04 0.00 0.00
56
+ ATOM 56 C PTH 1 10.88 25.83 -38.04 0.00 0.00
57
+ ATOM 57 C PTH 1 10.88 25.83 -37.04 0.00 0.00
58
+ ATOM 58 C PTH 1 10.88 25.83 -36.04 0.00 0.00
59
+ ATOM 59 C PTH 1 10.88 25.83 -35.04 0.00 0.00
60
+ ATOM 60 C PTH 1 10.88 25.83 -34.04 0.00 0.00
61
+ ATOM 61 C PTH 1 11.88 20.83 -37.04 0.00 0.00
62
+ ATOM 62 C PTH 1 11.88 20.83 -36.04 0.00 0.00
63
+ ATOM 63 C PTH 1 11.88 21.83 -38.04 0.00 0.00
64
+ ATOM 64 C PTH 1 11.88 21.83 -37.04 0.00 0.00
65
+ ATOM 65 C PTH 1 11.88 21.83 -36.04 0.00 0.00
66
+ ATOM 66 C PTH 1 11.88 21.83 -35.04 0.00 0.00
67
+ ATOM 67 C PTH 1 11.88 21.83 -34.04 0.00 0.00
68
+ ATOM 68 C PTH 1 11.88 22.83 -39.04 0.00 0.00
69
+ ATOM 69 C PTH 1 11.88 22.83 -38.04 0.00 0.00
70
+ ATOM 70 C PTH 1 11.88 22.83 -37.04 0.00 0.00
71
+ ATOM 71 C PTH 1 11.88 22.83 -36.04 0.00 0.00
72
+ ATOM 72 C PTH 1 11.88 22.83 -35.04 0.00 0.00
73
+ ATOM 73 C PTH 1 11.88 22.83 -34.04 0.00 0.00
74
+ ATOM 74 C PTH 1 11.88 23.83 -39.04 0.00 0.00
75
+ ATOM 75 C PTH 1 11.88 23.83 -38.04 0.00 0.00
76
+ ATOM 76 C PTH 1 11.88 23.83 -37.04 0.00 0.00
77
+ ATOM 77 C PTH 1 11.88 23.83 -36.04 0.00 0.00
78
+ ATOM 78 C PTH 1 11.88 23.83 -35.04 0.00 0.00
79
+ ATOM 79 C PTH 1 11.88 23.83 -34.04 0.00 0.00
80
+ ATOM 80 C PTH 1 11.88 24.83 -39.04 0.00 0.00
81
+ ATOM 81 C PTH 1 11.88 24.83 -38.04 0.00 0.00
82
+ ATOM 82 C PTH 1 11.88 24.83 -37.04 0.00 0.00
83
+ ATOM 83 C PTH 1 11.88 24.83 -36.04 0.00 0.00
84
+ ATOM 84 C PTH 1 11.88 24.83 -35.04 0.00 0.00
85
+ ATOM 85 C PTH 1 11.88 24.83 -34.04 0.00 0.00
86
+ ATOM 86 C PTH 1 11.88 25.83 -38.04 0.00 0.00
87
+ ATOM 87 C PTH 1 11.88 25.83 -37.04 0.00 0.00
88
+ ATOM 88 C PTH 1 11.88 25.83 -36.04 0.00 0.00
89
+ ATOM 89 C PTH 1 11.88 25.83 -35.04 0.00 0.00
90
+ ATOM 90 C PTH 1 12.88 20.83 -37.04 0.00 0.00
91
+ ATOM 91 C PTH 1 12.88 20.83 -36.04 0.00 0.00
92
+ ATOM 92 C PTH 1 12.88 21.83 -38.04 0.00 0.00
93
+ ATOM 93 C PTH 1 12.88 21.83 -37.04 0.00 0.00
94
+ ATOM 94 C PTH 1 12.88 21.83 -36.04 0.00 0.00
95
+ ATOM 95 C PTH 1 12.88 21.83 -35.04 0.00 0.00
96
+ ATOM 96 C PTH 1 12.88 21.83 -34.04 0.00 0.00
97
+ ATOM 97 C PTH 1 12.88 22.83 -38.04 0.00 0.00
98
+ ATOM 98 C PTH 1 12.88 22.83 -37.04 0.00 0.00
99
+ ATOM 99 C PTH 1 12.88 22.83 -36.04 0.00 0.00
100
+ ATOM 100 C PTH 1 12.88 22.83 -35.04 0.00 0.00
101
+ ATOM 101 C PTH 1 12.88 22.83 -34.04 0.00 0.00
102
+ ATOM 102 C PTH 1 12.88 23.83 -38.04 0.00 0.00
103
+ ATOM 103 C PTH 1 12.88 23.83 -37.04 0.00 0.00
104
+ ATOM 104 C PTH 1 12.88 23.83 -36.04 0.00 0.00
105
+ ATOM 105 C PTH 1 12.88 23.83 -35.04 0.00 0.00
106
+ ATOM 106 C PTH 1 12.88 23.83 -34.04 0.00 0.00
107
+ ATOM 107 C PTH 1 12.88 24.83 -38.04 0.00 0.00
108
+ ATOM 108 C PTH 1 12.88 24.83 -37.04 0.00 0.00
109
+ ATOM 109 C PTH 1 12.88 24.83 -36.04 0.00 0.00
110
+ ATOM 110 C PTH 1 12.88 24.83 -35.04 0.00 0.00
111
+ ATOM 111 C PTH 1 12.88 25.83 -38.04 0.00 0.00
112
+ ATOM 112 C PTH 1 12.88 25.83 -37.04 0.00 0.00
113
+ ATOM 113 C PTH 1 12.88 25.83 -36.04 0.00 0.00
114
+ ATOM 114 C PTH 1 13.88 20.83 -37.04 0.00 0.00
115
+ ATOM 115 C PTH 1 13.88 20.83 -36.04 0.00 0.00
116
+ ATOM 116 C PTH 1 13.88 20.83 -35.04 0.00 0.00
117
+ ATOM 117 C PTH 1 13.88 21.83 -37.04 0.00 0.00
118
+ ATOM 118 C PTH 1 13.88 21.83 -36.04 0.00 0.00
119
+ ATOM 119 C PTH 1 13.88 21.83 -35.04 0.00 0.00
120
+ ATOM 120 C PTH 1 13.88 21.83 -34.04 0.00 0.00
121
+ ATOM 121 C PTH 1 13.88 22.83 -38.04 0.00 0.00
122
+ ATOM 122 C PTH 1 13.88 22.83 -37.04 0.00 0.00
123
+ ATOM 123 C PTH 1 13.88 22.83 -36.04 0.00 0.00
124
+ ATOM 124 C PTH 1 13.88 22.83 -35.04 0.00 0.00
125
+ ATOM 125 C PTH 1 13.88 22.83 -34.04 0.00 0.00
126
+ ATOM 126 C PTH 1 13.88 23.83 -37.04 0.00 0.00
127
+ ATOM 127 C PTH 1 13.88 23.83 -36.04 0.00 0.00
128
+ ATOM 128 C PTH 1 13.88 23.83 -35.04 0.00 0.00
data/files/A000K/pocket_09.pdb ADDED
@@ -0,0 +1,115 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 4.88 42.83 -6.04 0.00 0.00
2
+ ATOM 2 C PTH 1 4.88 42.83 -5.04 0.00 0.00
3
+ ATOM 3 C PTH 1 4.88 43.83 -8.04 0.00 0.00
4
+ ATOM 4 C PTH 1 4.88 43.83 -7.04 0.00 0.00
5
+ ATOM 5 C PTH 1 4.88 43.83 -6.04 0.00 0.00
6
+ ATOM 6 C PTH 1 4.88 43.83 -5.04 0.00 0.00
7
+ ATOM 7 C PTH 1 4.88 44.83 -8.04 0.00 0.00
8
+ ATOM 8 C PTH 1 4.88 44.83 -7.04 0.00 0.00
9
+ ATOM 9 C PTH 1 4.88 44.83 -6.04 0.00 0.00
10
+ ATOM 10 C PTH 1 4.88 44.83 -5.04 0.00 0.00
11
+ ATOM 11 C PTH 1 4.88 45.83 -8.04 0.00 0.00
12
+ ATOM 12 C PTH 1 4.88 45.83 -7.04 0.00 0.00
13
+ ATOM 13 C PTH 1 4.88 45.83 -6.04 0.00 0.00
14
+ ATOM 14 C PTH 1 5.88 41.83 -6.04 0.00 0.00
15
+ ATOM 15 C PTH 1 5.88 41.83 -5.04 0.00 0.00
16
+ ATOM 16 C PTH 1 5.88 41.83 -4.04 0.00 0.00
17
+ ATOM 17 C PTH 1 5.88 42.83 -7.04 0.00 0.00
18
+ ATOM 18 C PTH 1 5.88 42.83 -6.04 0.00 0.00
19
+ ATOM 19 C PTH 1 5.88 42.83 -5.04 0.00 0.00
20
+ ATOM 20 C PTH 1 5.88 42.83 -4.04 0.00 0.00
21
+ ATOM 21 C PTH 1 5.88 43.83 -8.04 0.00 0.00
22
+ ATOM 22 C PTH 1 5.88 43.83 -7.04 0.00 0.00
23
+ ATOM 23 C PTH 1 5.88 43.83 -6.04 0.00 0.00
24
+ ATOM 24 C PTH 1 5.88 43.83 -5.04 0.00 0.00
25
+ ATOM 25 C PTH 1 5.88 44.83 -8.04 0.00 0.00
26
+ ATOM 26 C PTH 1 5.88 44.83 -7.04 0.00 0.00
27
+ ATOM 27 C PTH 1 5.88 44.83 -6.04 0.00 0.00
28
+ ATOM 28 C PTH 1 5.88 44.83 -5.04 0.00 0.00
29
+ ATOM 29 C PTH 1 5.88 45.83 -7.04 0.00 0.00
30
+ ATOM 30 C PTH 1 5.88 45.83 -6.04 0.00 0.00
31
+ ATOM 31 C PTH 1 6.88 41.83 -6.04 0.00 0.00
32
+ ATOM 32 C PTH 1 6.88 41.83 -5.04 0.00 0.00
33
+ ATOM 33 C PTH 1 6.88 41.83 -4.04 0.00 0.00
34
+ ATOM 34 C PTH 1 6.88 41.83 -3.04 0.00 0.00
35
+ ATOM 35 C PTH 1 6.88 42.83 -7.04 0.00 0.00
36
+ ATOM 36 C PTH 1 6.88 42.83 -6.04 0.00 0.00
37
+ ATOM 37 C PTH 1 6.88 42.83 -5.04 0.00 0.00
38
+ ATOM 38 C PTH 1 6.88 42.83 -4.04 0.00 0.00
39
+ ATOM 39 C PTH 1 6.88 42.83 -3.04 0.00 0.00
40
+ ATOM 40 C PTH 1 6.88 43.83 -8.04 0.00 0.00
41
+ ATOM 41 C PTH 1 6.88 43.83 -7.04 0.00 0.00
42
+ ATOM 42 C PTH 1 6.88 43.83 -6.04 0.00 0.00
43
+ ATOM 43 C PTH 1 6.88 43.83 -5.04 0.00 0.00
44
+ ATOM 44 C PTH 1 6.88 43.83 -4.04 0.00 0.00
45
+ ATOM 45 C PTH 1 6.88 43.83 -3.04 0.00 0.00
46
+ ATOM 46 C PTH 1 6.88 44.83 -7.04 0.00 0.00
47
+ ATOM 47 C PTH 1 6.88 44.83 -6.04 0.00 0.00
48
+ ATOM 48 C PTH 1 6.88 44.83 -5.04 0.00 0.00
49
+ ATOM 49 C PTH 1 6.88 44.83 -4.04 0.00 0.00
50
+ ATOM 50 C PTH 1 7.88 41.83 -6.04 0.00 0.00
51
+ ATOM 51 C PTH 1 7.88 41.83 -5.04 0.00 0.00
52
+ ATOM 52 C PTH 1 7.88 41.83 -4.04 0.00 0.00
53
+ ATOM 53 C PTH 1 7.88 41.83 -3.04 0.00 0.00
54
+ ATOM 54 C PTH 1 7.88 41.83 -2.04 0.00 0.00
55
+ ATOM 55 C PTH 1 7.88 42.83 -7.04 0.00 0.00
56
+ ATOM 56 C PTH 1 7.88 42.83 -6.04 0.00 0.00
57
+ ATOM 57 C PTH 1 7.88 42.83 -5.04 0.00 0.00
58
+ ATOM 58 C PTH 1 7.88 42.83 -4.04 0.00 0.00
59
+ ATOM 59 C PTH 1 7.88 42.83 -3.04 0.00 0.00
60
+ ATOM 60 C PTH 1 7.88 42.83 -2.04 0.00 0.00
61
+ ATOM 61 C PTH 1 7.88 43.83 -7.04 0.00 0.00
62
+ ATOM 62 C PTH 1 7.88 43.83 -6.04 0.00 0.00
63
+ ATOM 63 C PTH 1 7.88 43.83 -5.04 0.00 0.00
64
+ ATOM 64 C PTH 1 7.88 43.83 -4.04 0.00 0.00
65
+ ATOM 65 C PTH 1 7.88 43.83 -3.04 0.00 0.00
66
+ ATOM 66 C PTH 1 7.88 43.83 -2.04 0.00 0.00
67
+ ATOM 67 C PTH 1 7.88 44.83 -7.04 0.00 0.00
68
+ ATOM 68 C PTH 1 7.88 44.83 -6.04 0.00 0.00
69
+ ATOM 69 C PTH 1 7.88 44.83 -5.04 0.00 0.00
70
+ ATOM 70 C PTH 1 7.88 44.83 -4.04 0.00 0.00
71
+ ATOM 71 C PTH 1 7.88 44.83 -3.04 0.00 0.00
72
+ ATOM 72 C PTH 1 7.88 45.83 -6.04 0.00 0.00
73
+ ATOM 73 C PTH 1 7.88 45.83 -5.04 0.00 0.00
74
+ ATOM 74 C PTH 1 8.88 41.83 -5.04 0.00 0.00
75
+ ATOM 75 C PTH 1 8.88 41.83 -4.04 0.00 0.00
76
+ ATOM 76 C PTH 1 8.88 41.83 -3.04 0.00 0.00
77
+ ATOM 77 C PTH 1 8.88 41.83 -2.04 0.00 0.00
78
+ ATOM 78 C PTH 1 8.88 42.83 -6.04 0.00 0.00
79
+ ATOM 79 C PTH 1 8.88 42.83 -5.04 0.00 0.00
80
+ ATOM 80 C PTH 1 8.88 42.83 -4.04 0.00 0.00
81
+ ATOM 81 C PTH 1 8.88 42.83 -3.04 0.00 0.00
82
+ ATOM 82 C PTH 1 8.88 42.83 -2.04 0.00 0.00
83
+ ATOM 83 C PTH 1 8.88 43.83 -7.04 0.00 0.00
84
+ ATOM 84 C PTH 1 8.88 43.83 -6.04 0.00 0.00
85
+ ATOM 85 C PTH 1 8.88 43.83 -5.04 0.00 0.00
86
+ ATOM 86 C PTH 1 8.88 43.83 -4.04 0.00 0.00
87
+ ATOM 87 C PTH 1 8.88 43.83 -3.04 0.00 0.00
88
+ ATOM 88 C PTH 1 8.88 43.83 -2.04 0.00 0.00
89
+ ATOM 89 C PTH 1 8.88 44.83 -7.04 0.00 0.00
90
+ ATOM 90 C PTH 1 8.88 44.83 -6.04 0.00 0.00
91
+ ATOM 91 C PTH 1 8.88 44.83 -5.04 0.00 0.00
92
+ ATOM 92 C PTH 1 8.88 44.83 -4.04 0.00 0.00
93
+ ATOM 93 C PTH 1 8.88 44.83 -3.04 0.00 0.00
94
+ ATOM 94 C PTH 1 8.88 45.83 -6.04 0.00 0.00
95
+ ATOM 95 C PTH 1 8.88 45.83 -5.04 0.00 0.00
96
+ ATOM 96 C PTH 1 8.88 45.83 -4.04 0.00 0.00
97
+ ATOM 97 C PTH 1 8.88 45.83 -3.04 0.00 0.00
98
+ ATOM 98 C PTH 1 9.88 41.83 -4.04 0.00 0.00
99
+ ATOM 99 C PTH 1 9.88 41.83 -3.04 0.00 0.00
100
+ ATOM 100 C PTH 1 9.88 42.83 -5.04 0.00 0.00
101
+ ATOM 101 C PTH 1 9.88 42.83 -4.04 0.00 0.00
102
+ ATOM 102 C PTH 1 9.88 42.83 -3.04 0.00 0.00
103
+ ATOM 103 C PTH 1 9.88 42.83 -2.04 0.00 0.00
104
+ ATOM 104 C PTH 1 9.88 43.83 -6.04 0.00 0.00
105
+ ATOM 105 C PTH 1 9.88 43.83 -5.04 0.00 0.00
106
+ ATOM 106 C PTH 1 9.88 43.83 -4.04 0.00 0.00
107
+ ATOM 107 C PTH 1 9.88 43.83 -3.04 0.00 0.00
108
+ ATOM 108 C PTH 1 9.88 44.83 -6.04 0.00 0.00
109
+ ATOM 109 C PTH 1 9.88 44.83 -5.04 0.00 0.00
110
+ ATOM 110 C PTH 1 9.88 44.83 -4.04 0.00 0.00
111
+ ATOM 111 C PTH 1 9.88 44.83 -3.04 0.00 0.00
112
+ ATOM 112 C PTH 1 9.88 45.83 -5.04 0.00 0.00
113
+ ATOM 113 C PTH 1 9.88 45.83 -4.04 0.00 0.00
114
+ ATOM 114 C PTH 1 9.88 45.83 -3.04 0.00 0.00
115
+ ATOM 115 C PTH 1 10.88 42.83 -2.04 0.00 0.00
data/files/A000K/pocket_10.pdb ADDED
@@ -0,0 +1,106 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 -0.12 44.83 -41.04 0.00 0.00
2
+ ATOM 2 C PTH 1 -0.12 44.83 -40.04 0.00 0.00
3
+ ATOM 3 C PTH 1 -0.12 45.83 -42.04 0.00 0.00
4
+ ATOM 4 C PTH 1 -0.12 45.83 -41.04 0.00 0.00
5
+ ATOM 5 C PTH 1 -0.12 45.83 -40.04 0.00 0.00
6
+ ATOM 6 C PTH 1 -0.12 45.83 -39.04 0.00 0.00
7
+ ATOM 7 C PTH 1 -0.12 46.83 -42.04 0.00 0.00
8
+ ATOM 8 C PTH 1 -0.12 46.83 -41.04 0.00 0.00
9
+ ATOM 9 C PTH 1 -0.12 46.83 -40.04 0.00 0.00
10
+ ATOM 10 C PTH 1 -0.12 46.83 -39.04 0.00 0.00
11
+ ATOM 11 C PTH 1 -0.12 47.83 -42.04 0.00 0.00
12
+ ATOM 12 C PTH 1 -0.12 47.83 -41.04 0.00 0.00
13
+ ATOM 13 C PTH 1 -0.12 47.83 -40.04 0.00 0.00
14
+ ATOM 14 C PTH 1 -0.12 47.83 -39.04 0.00 0.00
15
+ ATOM 15 C PTH 1 -0.12 48.83 -42.04 0.00 0.00
16
+ ATOM 16 C PTH 1 -0.12 48.83 -41.04 0.00 0.00
17
+ ATOM 17 C PTH 1 -0.12 48.83 -40.04 0.00 0.00
18
+ ATOM 18 C PTH 1 0.88 44.83 -42.04 0.00 0.00
19
+ ATOM 19 C PTH 1 0.88 44.83 -41.04 0.00 0.00
20
+ ATOM 20 C PTH 1 0.88 44.83 -40.04 0.00 0.00
21
+ ATOM 21 C PTH 1 0.88 45.83 -42.04 0.00 0.00
22
+ ATOM 22 C PTH 1 0.88 45.83 -41.04 0.00 0.00
23
+ ATOM 23 C PTH 1 0.88 45.83 -40.04 0.00 0.00
24
+ ATOM 24 C PTH 1 0.88 45.83 -39.04 0.00 0.00
25
+ ATOM 25 C PTH 1 0.88 46.83 -42.04 0.00 0.00
26
+ ATOM 26 C PTH 1 0.88 46.83 -41.04 0.00 0.00
27
+ ATOM 27 C PTH 1 0.88 46.83 -40.04 0.00 0.00
28
+ ATOM 28 C PTH 1 0.88 46.83 -39.04 0.00 0.00
29
+ ATOM 29 C PTH 1 0.88 47.83 -42.04 0.00 0.00
30
+ ATOM 30 C PTH 1 0.88 47.83 -41.04 0.00 0.00
31
+ ATOM 31 C PTH 1 0.88 47.83 -40.04 0.00 0.00
32
+ ATOM 32 C PTH 1 0.88 47.83 -39.04 0.00 0.00
33
+ ATOM 33 C PTH 1 0.88 48.83 -43.04 0.00 0.00
34
+ ATOM 34 C PTH 1 0.88 48.83 -42.04 0.00 0.00
35
+ ATOM 35 C PTH 1 0.88 48.83 -41.04 0.00 0.00
36
+ ATOM 36 C PTH 1 0.88 48.83 -40.04 0.00 0.00
37
+ ATOM 37 C PTH 1 0.88 48.83 -39.04 0.00 0.00
38
+ ATOM 38 C PTH 1 0.88 49.83 -42.04 0.00 0.00
39
+ ATOM 39 C PTH 1 0.88 49.83 -41.04 0.00 0.00
40
+ ATOM 40 C PTH 1 0.88 49.83 -40.04 0.00 0.00
41
+ ATOM 41 C PTH 1 1.88 45.83 -41.04 0.00 0.00
42
+ ATOM 42 C PTH 1 1.88 45.83 -40.04 0.00 0.00
43
+ ATOM 43 C PTH 1 1.88 45.83 -39.04 0.00 0.00
44
+ ATOM 44 C PTH 1 1.88 46.83 -42.04 0.00 0.00
45
+ ATOM 45 C PTH 1 1.88 46.83 -41.04 0.00 0.00
46
+ ATOM 46 C PTH 1 1.88 46.83 -40.04 0.00 0.00
47
+ ATOM 47 C PTH 1 1.88 46.83 -39.04 0.00 0.00
48
+ ATOM 48 C PTH 1 1.88 47.83 -42.04 0.00 0.00
49
+ ATOM 49 C PTH 1 1.88 47.83 -41.04 0.00 0.00
50
+ ATOM 50 C PTH 1 1.88 47.83 -40.04 0.00 0.00
51
+ ATOM 51 C PTH 1 1.88 47.83 -39.04 0.00 0.00
52
+ ATOM 52 C PTH 1 1.88 48.83 -43.04 0.00 0.00
53
+ ATOM 53 C PTH 1 1.88 48.83 -42.04 0.00 0.00
54
+ ATOM 54 C PTH 1 1.88 48.83 -41.04 0.00 0.00
55
+ ATOM 55 C PTH 1 1.88 48.83 -40.04 0.00 0.00
56
+ ATOM 56 C PTH 1 1.88 48.83 -39.04 0.00 0.00
57
+ ATOM 57 C PTH 1 1.88 49.83 -43.04 0.00 0.00
58
+ ATOM 58 C PTH 1 1.88 49.83 -42.04 0.00 0.00
59
+ ATOM 59 C PTH 1 1.88 49.83 -41.04 0.00 0.00
60
+ ATOM 60 C PTH 1 1.88 49.83 -40.04 0.00 0.00
61
+ ATOM 61 C PTH 1 1.88 49.83 -39.04 0.00 0.00
62
+ ATOM 62 C PTH 1 1.88 50.83 -43.04 0.00 0.00
63
+ ATOM 63 C PTH 1 1.88 50.83 -42.04 0.00 0.00
64
+ ATOM 64 C PTH 1 1.88 50.83 -41.04 0.00 0.00
65
+ ATOM 65 C PTH 1 1.88 50.83 -40.04 0.00 0.00
66
+ ATOM 66 C PTH 1 2.88 46.83 -42.04 0.00 0.00
67
+ ATOM 67 C PTH 1 2.88 46.83 -41.04 0.00 0.00
68
+ ATOM 68 C PTH 1 2.88 46.83 -40.04 0.00 0.00
69
+ ATOM 69 C PTH 1 2.88 47.83 -42.04 0.00 0.00
70
+ ATOM 70 C PTH 1 2.88 47.83 -41.04 0.00 0.00
71
+ ATOM 71 C PTH 1 2.88 47.83 -40.04 0.00 0.00
72
+ ATOM 72 C PTH 1 2.88 47.83 -39.04 0.00 0.00
73
+ ATOM 73 C PTH 1 2.88 48.83 -43.04 0.00 0.00
74
+ ATOM 74 C PTH 1 2.88 48.83 -42.04 0.00 0.00
75
+ ATOM 75 C PTH 1 2.88 48.83 -41.04 0.00 0.00
76
+ ATOM 76 C PTH 1 2.88 48.83 -40.04 0.00 0.00
77
+ ATOM 77 C PTH 1 2.88 48.83 -39.04 0.00 0.00
78
+ ATOM 78 C PTH 1 2.88 49.83 -44.04 0.00 0.00
79
+ ATOM 79 C PTH 1 2.88 49.83 -43.04 0.00 0.00
80
+ ATOM 80 C PTH 1 2.88 49.83 -42.04 0.00 0.00
81
+ ATOM 81 C PTH 1 2.88 49.83 -41.04 0.00 0.00
82
+ ATOM 82 C PTH 1 2.88 49.83 -40.04 0.00 0.00
83
+ ATOM 83 C PTH 1 2.88 49.83 -39.04 0.00 0.00
84
+ ATOM 84 C PTH 1 2.88 50.83 -44.04 0.00 0.00
85
+ ATOM 85 C PTH 1 2.88 50.83 -43.04 0.00 0.00
86
+ ATOM 86 C PTH 1 2.88 50.83 -42.04 0.00 0.00
87
+ ATOM 87 C PTH 1 2.88 50.83 -41.04 0.00 0.00
88
+ ATOM 88 C PTH 1 2.88 50.83 -40.04 0.00 0.00
89
+ ATOM 89 C PTH 1 3.88 47.83 -42.04 0.00 0.00
90
+ ATOM 90 C PTH 1 3.88 47.83 -41.04 0.00 0.00
91
+ ATOM 91 C PTH 1 3.88 47.83 -40.04 0.00 0.00
92
+ ATOM 92 C PTH 1 3.88 48.83 -43.04 0.00 0.00
93
+ ATOM 93 C PTH 1 3.88 48.83 -42.04 0.00 0.00
94
+ ATOM 94 C PTH 1 3.88 48.83 -41.04 0.00 0.00
95
+ ATOM 95 C PTH 1 3.88 48.83 -40.04 0.00 0.00
96
+ ATOM 96 C PTH 1 3.88 48.83 -39.04 0.00 0.00
97
+ ATOM 97 C PTH 1 3.88 49.83 -43.04 0.00 0.00
98
+ ATOM 98 C PTH 1 3.88 49.83 -42.04 0.00 0.00
99
+ ATOM 99 C PTH 1 3.88 49.83 -41.04 0.00 0.00
100
+ ATOM 100 C PTH 1 3.88 49.83 -40.04 0.00 0.00
101
+ ATOM 101 C PTH 1 3.88 50.83 -43.04 0.00 0.00
102
+ ATOM 102 C PTH 1 3.88 50.83 -42.04 0.00 0.00
103
+ ATOM 103 C PTH 1 3.88 50.83 -41.04 0.00 0.00
104
+ ATOM 104 C PTH 1 3.88 50.83 -40.04 0.00 0.00
105
+ ATOM 105 C PTH 1 4.88 49.83 -42.04 0.00 0.00
106
+ ATOM 106 C PTH 1 4.88 50.83 -42.04 0.00 0.00
data/files/A000K/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A000L/pocket_01.pdb ADDED
@@ -0,0 +1,259 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 82.69 81.36 40.31 0.00 0.00
2
+ ATOM 2 C PTH 1 82.69 81.36 41.31 0.00 0.00
3
+ ATOM 3 C PTH 1 82.69 82.36 40.31 0.00 0.00
4
+ ATOM 4 C PTH 1 82.69 82.36 41.31 0.00 0.00
5
+ ATOM 5 C PTH 1 82.69 82.36 42.31 0.00 0.00
6
+ ATOM 6 C PTH 1 82.69 83.36 40.31 0.00 0.00
7
+ ATOM 7 C PTH 1 82.69 83.36 41.31 0.00 0.00
8
+ ATOM 8 C PTH 1 82.69 83.36 42.31 0.00 0.00
9
+ ATOM 9 C PTH 1 83.69 76.36 40.31 0.00 0.00
10
+ ATOM 10 C PTH 1 83.69 76.36 41.31 0.00 0.00
11
+ ATOM 11 C PTH 1 83.69 77.36 40.31 0.00 0.00
12
+ ATOM 12 C PTH 1 83.69 77.36 41.31 0.00 0.00
13
+ ATOM 13 C PTH 1 83.69 80.36 41.31 0.00 0.00
14
+ ATOM 14 C PTH 1 83.69 81.36 40.31 0.00 0.00
15
+ ATOM 15 C PTH 1 83.69 81.36 41.31 0.00 0.00
16
+ ATOM 16 C PTH 1 83.69 81.36 42.31 0.00 0.00
17
+ ATOM 17 C PTH 1 83.69 81.36 43.31 0.00 0.00
18
+ ATOM 18 C PTH 1 83.69 82.36 40.31 0.00 0.00
19
+ ATOM 19 C PTH 1 83.69 82.36 41.31 0.00 0.00
20
+ ATOM 20 C PTH 1 83.69 82.36 42.31 0.00 0.00
21
+ ATOM 21 C PTH 1 83.69 82.36 43.31 0.00 0.00
22
+ ATOM 22 C PTH 1 83.69 83.36 40.31 0.00 0.00
23
+ ATOM 23 C PTH 1 83.69 83.36 41.31 0.00 0.00
24
+ ATOM 24 C PTH 1 83.69 83.36 42.31 0.00 0.00
25
+ ATOM 25 C PTH 1 83.69 83.36 43.31 0.00 0.00
26
+ ATOM 26 C PTH 1 83.69 84.36 40.31 0.00 0.00
27
+ ATOM 27 C PTH 1 83.69 84.36 41.31 0.00 0.00
28
+ ATOM 28 C PTH 1 83.69 84.36 42.31 0.00 0.00
29
+ ATOM 29 C PTH 1 83.69 85.36 40.31 0.00 0.00
30
+ ATOM 30 C PTH 1 83.69 85.36 41.31 0.00 0.00
31
+ ATOM 31 C PTH 1 83.69 85.36 42.31 0.00 0.00
32
+ ATOM 32 C PTH 1 83.69 86.36 39.31 0.00 0.00
33
+ ATOM 33 C PTH 1 83.69 86.36 40.31 0.00 0.00
34
+ ATOM 34 C PTH 1 83.69 86.36 41.31 0.00 0.00
35
+ ATOM 35 C PTH 1 83.69 87.36 40.31 0.00 0.00
36
+ ATOM 36 C PTH 1 84.69 75.36 40.31 0.00 0.00
37
+ ATOM 37 C PTH 1 84.69 75.36 41.31 0.00 0.00
38
+ ATOM 38 C PTH 1 84.69 76.36 39.31 0.00 0.00
39
+ ATOM 39 C PTH 1 84.69 76.36 40.31 0.00 0.00
40
+ ATOM 40 C PTH 1 84.69 76.36 41.31 0.00 0.00
41
+ ATOM 41 C PTH 1 84.69 76.36 42.31 0.00 0.00
42
+ ATOM 42 C PTH 1 84.69 77.36 40.31 0.00 0.00
43
+ ATOM 43 C PTH 1 84.69 77.36 41.31 0.00 0.00
44
+ ATOM 44 C PTH 1 84.69 77.36 42.31 0.00 0.00
45
+ ATOM 45 C PTH 1 84.69 78.36 40.31 0.00 0.00
46
+ ATOM 46 C PTH 1 84.69 78.36 41.31 0.00 0.00
47
+ ATOM 47 C PTH 1 84.69 78.36 42.31 0.00 0.00
48
+ ATOM 48 C PTH 1 84.69 79.36 40.31 0.00 0.00
49
+ ATOM 49 C PTH 1 84.69 79.36 41.31 0.00 0.00
50
+ ATOM 50 C PTH 1 84.69 79.36 42.31 0.00 0.00
51
+ ATOM 51 C PTH 1 84.69 79.36 43.31 0.00 0.00
52
+ ATOM 52 C PTH 1 84.69 79.36 44.31 0.00 0.00
53
+ ATOM 53 C PTH 1 84.69 80.36 40.31 0.00 0.00
54
+ ATOM 54 C PTH 1 84.69 80.36 41.31 0.00 0.00
55
+ ATOM 55 C PTH 1 84.69 80.36 42.31 0.00 0.00
56
+ ATOM 56 C PTH 1 84.69 80.36 43.31 0.00 0.00
57
+ ATOM 57 C PTH 1 84.69 80.36 44.31 0.00 0.00
58
+ ATOM 58 C PTH 1 84.69 81.36 40.31 0.00 0.00
59
+ ATOM 59 C PTH 1 84.69 81.36 41.31 0.00 0.00
60
+ ATOM 60 C PTH 1 84.69 81.36 42.31 0.00 0.00
61
+ ATOM 61 C PTH 1 84.69 81.36 43.31 0.00 0.00
62
+ ATOM 62 C PTH 1 84.69 81.36 44.31 0.00 0.00
63
+ ATOM 63 C PTH 1 84.69 82.36 40.31 0.00 0.00
64
+ ATOM 64 C PTH 1 84.69 82.36 41.31 0.00 0.00
65
+ ATOM 65 C PTH 1 84.69 82.36 42.31 0.00 0.00
66
+ ATOM 66 C PTH 1 84.69 82.36 43.31 0.00 0.00
67
+ ATOM 67 C PTH 1 84.69 82.36 44.31 0.00 0.00
68
+ ATOM 68 C PTH 1 84.69 83.36 40.31 0.00 0.00
69
+ ATOM 69 C PTH 1 84.69 83.36 41.31 0.00 0.00
70
+ ATOM 70 C PTH 1 84.69 83.36 42.31 0.00 0.00
71
+ ATOM 71 C PTH 1 84.69 83.36 43.31 0.00 0.00
72
+ ATOM 72 C PTH 1 84.69 84.36 40.31 0.00 0.00
73
+ ATOM 73 C PTH 1 84.69 84.36 41.31 0.00 0.00
74
+ ATOM 74 C PTH 1 84.69 84.36 42.31 0.00 0.00
75
+ ATOM 75 C PTH 1 84.69 84.36 43.31 0.00 0.00
76
+ ATOM 76 C PTH 1 84.69 85.36 39.31 0.00 0.00
77
+ ATOM 77 C PTH 1 84.69 85.36 40.31 0.00 0.00
78
+ ATOM 78 C PTH 1 84.69 85.36 41.31 0.00 0.00
79
+ ATOM 79 C PTH 1 84.69 85.36 42.31 0.00 0.00
80
+ ATOM 80 C PTH 1 84.69 85.36 43.31 0.00 0.00
81
+ ATOM 81 C PTH 1 84.69 86.36 39.31 0.00 0.00
82
+ ATOM 82 C PTH 1 84.69 86.36 40.31 0.00 0.00
83
+ ATOM 83 C PTH 1 84.69 86.36 41.31 0.00 0.00
84
+ ATOM 84 C PTH 1 84.69 86.36 42.31 0.00 0.00
85
+ ATOM 85 C PTH 1 84.69 87.36 39.31 0.00 0.00
86
+ ATOM 86 C PTH 1 84.69 87.36 40.31 0.00 0.00
87
+ ATOM 87 C PTH 1 84.69 87.36 41.31 0.00 0.00
88
+ ATOM 88 C PTH 1 85.69 75.36 40.31 0.00 0.00
89
+ ATOM 89 C PTH 1 85.69 75.36 41.31 0.00 0.00
90
+ ATOM 90 C PTH 1 85.69 76.36 40.31 0.00 0.00
91
+ ATOM 91 C PTH 1 85.69 76.36 41.31 0.00 0.00
92
+ ATOM 92 C PTH 1 85.69 76.36 42.31 0.00 0.00
93
+ ATOM 93 C PTH 1 85.69 77.36 40.31 0.00 0.00
94
+ ATOM 94 C PTH 1 85.69 77.36 41.31 0.00 0.00
95
+ ATOM 95 C PTH 1 85.69 77.36 42.31 0.00 0.00
96
+ ATOM 96 C PTH 1 85.69 78.36 40.31 0.00 0.00
97
+ ATOM 97 C PTH 1 85.69 78.36 41.31 0.00 0.00
98
+ ATOM 98 C PTH 1 85.69 78.36 42.31 0.00 0.00
99
+ ATOM 99 C PTH 1 85.69 78.36 43.31 0.00 0.00
100
+ ATOM 100 C PTH 1 85.69 79.36 40.31 0.00 0.00
101
+ ATOM 101 C PTH 1 85.69 79.36 41.31 0.00 0.00
102
+ ATOM 102 C PTH 1 85.69 79.36 42.31 0.00 0.00
103
+ ATOM 103 C PTH 1 85.69 79.36 43.31 0.00 0.00
104
+ ATOM 104 C PTH 1 85.69 79.36 44.31 0.00 0.00
105
+ ATOM 105 C PTH 1 85.69 80.36 40.31 0.00 0.00
106
+ ATOM 106 C PTH 1 85.69 80.36 41.31 0.00 0.00
107
+ ATOM 107 C PTH 1 85.69 80.36 42.31 0.00 0.00
108
+ ATOM 108 C PTH 1 85.69 80.36 43.31 0.00 0.00
109
+ ATOM 109 C PTH 1 85.69 80.36 44.31 0.00 0.00
110
+ ATOM 110 C PTH 1 85.69 81.36 40.31 0.00 0.00
111
+ ATOM 111 C PTH 1 85.69 81.36 41.31 0.00 0.00
112
+ ATOM 112 C PTH 1 85.69 81.36 42.31 0.00 0.00
113
+ ATOM 113 C PTH 1 85.69 81.36 43.31 0.00 0.00
114
+ ATOM 114 C PTH 1 85.69 81.36 44.31 0.00 0.00
115
+ ATOM 115 C PTH 1 85.69 82.36 40.31 0.00 0.00
116
+ ATOM 116 C PTH 1 85.69 82.36 41.31 0.00 0.00
117
+ ATOM 117 C PTH 1 85.69 82.36 42.31 0.00 0.00
118
+ ATOM 118 C PTH 1 85.69 82.36 43.31 0.00 0.00
119
+ ATOM 119 C PTH 1 85.69 82.36 44.31 0.00 0.00
120
+ ATOM 120 C PTH 1 85.69 83.36 40.31 0.00 0.00
121
+ ATOM 121 C PTH 1 85.69 83.36 41.31 0.00 0.00
122
+ ATOM 122 C PTH 1 85.69 83.36 42.31 0.00 0.00
123
+ ATOM 123 C PTH 1 85.69 83.36 43.31 0.00 0.00
124
+ ATOM 124 C PTH 1 85.69 83.36 44.31 0.00 0.00
125
+ ATOM 125 C PTH 1 85.69 84.36 40.31 0.00 0.00
126
+ ATOM 126 C PTH 1 85.69 84.36 41.31 0.00 0.00
127
+ ATOM 127 C PTH 1 85.69 84.36 42.31 0.00 0.00
128
+ ATOM 128 C PTH 1 85.69 84.36 43.31 0.00 0.00
129
+ ATOM 129 C PTH 1 85.69 84.36 44.31 0.00 0.00
130
+ ATOM 130 C PTH 1 85.69 85.36 39.31 0.00 0.00
131
+ ATOM 131 C PTH 1 85.69 85.36 40.31 0.00 0.00
132
+ ATOM 132 C PTH 1 85.69 85.36 41.31 0.00 0.00
133
+ ATOM 133 C PTH 1 85.69 85.36 42.31 0.00 0.00
134
+ ATOM 134 C PTH 1 85.69 85.36 43.31 0.00 0.00
135
+ ATOM 135 C PTH 1 85.69 86.36 39.31 0.00 0.00
136
+ ATOM 136 C PTH 1 85.69 86.36 40.31 0.00 0.00
137
+ ATOM 137 C PTH 1 85.69 86.36 41.31 0.00 0.00
138
+ ATOM 138 C PTH 1 85.69 86.36 42.31 0.00 0.00
139
+ ATOM 139 C PTH 1 85.69 87.36 39.31 0.00 0.00
140
+ ATOM 140 C PTH 1 85.69 87.36 40.31 0.00 0.00
141
+ ATOM 141 C PTH 1 85.69 87.36 41.31 0.00 0.00
142
+ ATOM 142 C PTH 1 86.69 75.36 39.31 0.00 0.00
143
+ ATOM 143 C PTH 1 86.69 75.36 40.31 0.00 0.00
144
+ ATOM 144 C PTH 1 86.69 75.36 41.31 0.00 0.00
145
+ ATOM 145 C PTH 1 86.69 75.36 42.31 0.00 0.00
146
+ ATOM 146 C PTH 1 86.69 76.36 39.31 0.00 0.00
147
+ ATOM 147 C PTH 1 86.69 76.36 40.31 0.00 0.00
148
+ ATOM 148 C PTH 1 86.69 76.36 41.31 0.00 0.00
149
+ ATOM 149 C PTH 1 86.69 76.36 42.31 0.00 0.00
150
+ ATOM 150 C PTH 1 86.69 77.36 39.31 0.00 0.00
151
+ ATOM 151 C PTH 1 86.69 77.36 40.31 0.00 0.00
152
+ ATOM 152 C PTH 1 86.69 77.36 41.31 0.00 0.00
153
+ ATOM 153 C PTH 1 86.69 77.36 42.31 0.00 0.00
154
+ ATOM 154 C PTH 1 86.69 78.36 40.31 0.00 0.00
155
+ ATOM 155 C PTH 1 86.69 78.36 41.31 0.00 0.00
156
+ ATOM 156 C PTH 1 86.69 78.36 42.31 0.00 0.00
157
+ ATOM 157 C PTH 1 86.69 78.36 43.31 0.00 0.00
158
+ ATOM 158 C PTH 1 86.69 79.36 40.31 0.00 0.00
159
+ ATOM 159 C PTH 1 86.69 79.36 41.31 0.00 0.00
160
+ ATOM 160 C PTH 1 86.69 79.36 42.31 0.00 0.00
161
+ ATOM 161 C PTH 1 86.69 79.36 43.31 0.00 0.00
162
+ ATOM 162 C PTH 1 86.69 79.36 44.31 0.00 0.00
163
+ ATOM 163 C PTH 1 86.69 80.36 41.31 0.00 0.00
164
+ ATOM 164 C PTH 1 86.69 80.36 42.31 0.00 0.00
165
+ ATOM 165 C PTH 1 86.69 80.36 43.31 0.00 0.00
166
+ ATOM 166 C PTH 1 86.69 80.36 44.31 0.00 0.00
167
+ ATOM 167 C PTH 1 86.69 81.36 41.31 0.00 0.00
168
+ ATOM 168 C PTH 1 86.69 81.36 42.31 0.00 0.00
169
+ ATOM 169 C PTH 1 86.69 81.36 43.31 0.00 0.00
170
+ ATOM 170 C PTH 1 86.69 81.36 44.31 0.00 0.00
171
+ ATOM 171 C PTH 1 86.69 82.36 40.31 0.00 0.00
172
+ ATOM 172 C PTH 1 86.69 82.36 41.31 0.00 0.00
173
+ ATOM 173 C PTH 1 86.69 82.36 42.31 0.00 0.00
174
+ ATOM 174 C PTH 1 86.69 82.36 43.31 0.00 0.00
175
+ ATOM 175 C PTH 1 86.69 82.36 44.31 0.00 0.00
176
+ ATOM 176 C PTH 1 86.69 82.36 45.31 0.00 0.00
177
+ ATOM 177 C PTH 1 86.69 83.36 40.31 0.00 0.00
178
+ ATOM 178 C PTH 1 86.69 83.36 41.31 0.00 0.00
179
+ ATOM 179 C PTH 1 86.69 83.36 42.31 0.00 0.00
180
+ ATOM 180 C PTH 1 86.69 83.36 43.31 0.00 0.00
181
+ ATOM 181 C PTH 1 86.69 83.36 44.31 0.00 0.00
182
+ ATOM 182 C PTH 1 86.69 83.36 45.31 0.00 0.00
183
+ ATOM 183 C PTH 1 86.69 84.36 40.31 0.00 0.00
184
+ ATOM 184 C PTH 1 86.69 84.36 41.31 0.00 0.00
185
+ ATOM 185 C PTH 1 86.69 84.36 42.31 0.00 0.00
186
+ ATOM 186 C PTH 1 86.69 84.36 43.31 0.00 0.00
187
+ ATOM 187 C PTH 1 86.69 84.36 44.31 0.00 0.00
188
+ ATOM 188 C PTH 1 86.69 85.36 39.31 0.00 0.00
189
+ ATOM 189 C PTH 1 86.69 85.36 40.31 0.00 0.00
190
+ ATOM 190 C PTH 1 86.69 85.36 41.31 0.00 0.00
191
+ ATOM 191 C PTH 1 86.69 85.36 42.31 0.00 0.00
192
+ ATOM 192 C PTH 1 86.69 85.36 43.31 0.00 0.00
193
+ ATOM 193 C PTH 1 86.69 85.36 44.31 0.00 0.00
194
+ ATOM 194 C PTH 1 86.69 86.36 39.31 0.00 0.00
195
+ ATOM 195 C PTH 1 86.69 86.36 40.31 0.00 0.00
196
+ ATOM 196 C PTH 1 86.69 86.36 41.31 0.00 0.00
197
+ ATOM 197 C PTH 1 86.69 86.36 42.31 0.00 0.00
198
+ ATOM 198 C PTH 1 86.69 86.36 43.31 0.00 0.00
199
+ ATOM 199 C PTH 1 86.69 87.36 39.31 0.00 0.00
200
+ ATOM 200 C PTH 1 86.69 87.36 40.31 0.00 0.00
201
+ ATOM 201 C PTH 1 86.69 87.36 41.31 0.00 0.00
202
+ ATOM 202 C PTH 1 86.69 87.36 42.31 0.00 0.00
203
+ ATOM 203 C PTH 1 87.69 75.36 40.31 0.00 0.00
204
+ ATOM 204 C PTH 1 87.69 75.36 41.31 0.00 0.00
205
+ ATOM 205 C PTH 1 87.69 76.36 40.31 0.00 0.00
206
+ ATOM 206 C PTH 1 87.69 76.36 41.31 0.00 0.00
207
+ ATOM 207 C PTH 1 87.69 76.36 42.31 0.00 0.00
208
+ ATOM 208 C PTH 1 87.69 77.36 40.31 0.00 0.00
209
+ ATOM 209 C PTH 1 87.69 77.36 41.31 0.00 0.00
210
+ ATOM 210 C PTH 1 87.69 77.36 42.31 0.00 0.00
211
+ ATOM 211 C PTH 1 87.69 77.36 43.31 0.00 0.00
212
+ ATOM 212 C PTH 1 87.69 78.36 41.31 0.00 0.00
213
+ ATOM 213 C PTH 1 87.69 78.36 42.31 0.00 0.00
214
+ ATOM 214 C PTH 1 87.69 78.36 43.31 0.00 0.00
215
+ ATOM 215 C PTH 1 87.69 78.36 44.31 0.00 0.00
216
+ ATOM 216 C PTH 1 87.69 79.36 41.31 0.00 0.00
217
+ ATOM 217 C PTH 1 87.69 79.36 42.31 0.00 0.00
218
+ ATOM 218 C PTH 1 87.69 79.36 43.31 0.00 0.00
219
+ ATOM 219 C PTH 1 87.69 79.36 44.31 0.00 0.00
220
+ ATOM 220 C PTH 1 87.69 80.36 41.31 0.00 0.00
221
+ ATOM 221 C PTH 1 87.69 80.36 42.31 0.00 0.00
222
+ ATOM 222 C PTH 1 87.69 80.36 43.31 0.00 0.00
223
+ ATOM 223 C PTH 1 87.69 80.36 44.31 0.00 0.00
224
+ ATOM 224 C PTH 1 87.69 81.36 41.31 0.00 0.00
225
+ ATOM 225 C PTH 1 87.69 81.36 42.31 0.00 0.00
226
+ ATOM 226 C PTH 1 87.69 81.36 43.31 0.00 0.00
227
+ ATOM 227 C PTH 1 87.69 81.36 44.31 0.00 0.00
228
+ ATOM 228 C PTH 1 87.69 82.36 41.31 0.00 0.00
229
+ ATOM 229 C PTH 1 87.69 82.36 42.31 0.00 0.00
230
+ ATOM 230 C PTH 1 87.69 82.36 43.31 0.00 0.00
231
+ ATOM 231 C PTH 1 87.69 82.36 44.31 0.00 0.00
232
+ ATOM 232 C PTH 1 87.69 83.36 41.31 0.00 0.00
233
+ ATOM 233 C PTH 1 87.69 83.36 42.31 0.00 0.00
234
+ ATOM 234 C PTH 1 87.69 83.36 43.31 0.00 0.00
235
+ ATOM 235 C PTH 1 87.69 83.36 44.31 0.00 0.00
236
+ ATOM 236 C PTH 1 87.69 83.36 45.31 0.00 0.00
237
+ ATOM 237 C PTH 1 87.69 84.36 41.31 0.00 0.00
238
+ ATOM 238 C PTH 1 87.69 84.36 42.31 0.00 0.00
239
+ ATOM 239 C PTH 1 87.69 84.36 43.31 0.00 0.00
240
+ ATOM 240 C PTH 1 87.69 84.36 44.31 0.00 0.00
241
+ ATOM 241 C PTH 1 87.69 85.36 41.31 0.00 0.00
242
+ ATOM 242 C PTH 1 87.69 85.36 42.31 0.00 0.00
243
+ ATOM 243 C PTH 1 87.69 85.36 43.31 0.00 0.00
244
+ ATOM 244 C PTH 1 88.69 77.36 41.31 0.00 0.00
245
+ ATOM 245 C PTH 1 88.69 77.36 42.31 0.00 0.00
246
+ ATOM 246 C PTH 1 88.69 77.36 43.31 0.00 0.00
247
+ ATOM 247 C PTH 1 88.69 78.36 41.31 0.00 0.00
248
+ ATOM 248 C PTH 1 88.69 78.36 42.31 0.00 0.00
249
+ ATOM 249 C PTH 1 88.69 78.36 43.31 0.00 0.00
250
+ ATOM 250 C PTH 1 88.69 78.36 44.31 0.00 0.00
251
+ ATOM 251 C PTH 1 88.69 79.36 41.31 0.00 0.00
252
+ ATOM 252 C PTH 1 88.69 79.36 42.31 0.00 0.00
253
+ ATOM 253 C PTH 1 88.69 79.36 43.31 0.00 0.00
254
+ ATOM 254 C PTH 1 88.69 79.36 44.31 0.00 0.00
255
+ ATOM 255 C PTH 1 88.69 80.36 42.31 0.00 0.00
256
+ ATOM 256 C PTH 1 88.69 80.36 43.31 0.00 0.00
257
+ ATOM 257 C PTH 1 88.69 80.36 44.31 0.00 0.00
258
+ ATOM 258 C PTH 1 88.69 81.36 43.31 0.00 0.00
259
+ ATOM 259 C PTH 1 88.69 81.36 44.31 0.00 0.00
data/files/A000L/pocket_02.pdb ADDED
@@ -0,0 +1,141 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 83.69 80.36 33.31 0.00 0.00
2
+ ATOM 2 C PTH 1 83.69 81.36 29.31 0.00 0.00
3
+ ATOM 3 C PTH 1 83.69 82.36 29.31 0.00 0.00
4
+ ATOM 4 C PTH 1 83.69 82.36 30.31 0.00 0.00
5
+ ATOM 5 C PTH 1 83.69 82.36 31.31 0.00 0.00
6
+ ATOM 6 C PTH 1 83.69 82.36 32.31 0.00 0.00
7
+ ATOM 7 C PTH 1 83.69 83.36 30.31 0.00 0.00
8
+ ATOM 8 C PTH 1 84.69 78.36 31.31 0.00 0.00
9
+ ATOM 9 C PTH 1 84.69 78.36 32.31 0.00 0.00
10
+ ATOM 10 C PTH 1 84.69 79.36 30.31 0.00 0.00
11
+ ATOM 11 C PTH 1 84.69 79.36 31.31 0.00 0.00
12
+ ATOM 12 C PTH 1 84.69 79.36 32.31 0.00 0.00
13
+ ATOM 13 C PTH 1 84.69 79.36 33.31 0.00 0.00
14
+ ATOM 14 C PTH 1 84.69 80.36 29.31 0.00 0.00
15
+ ATOM 15 C PTH 1 84.69 80.36 30.31 0.00 0.00
16
+ ATOM 16 C PTH 1 84.69 80.36 31.31 0.00 0.00
17
+ ATOM 17 C PTH 1 84.69 80.36 32.31 0.00 0.00
18
+ ATOM 18 C PTH 1 84.69 80.36 33.31 0.00 0.00
19
+ ATOM 19 C PTH 1 84.69 81.36 29.31 0.00 0.00
20
+ ATOM 20 C PTH 1 84.69 81.36 30.31 0.00 0.00
21
+ ATOM 21 C PTH 1 84.69 81.36 31.31 0.00 0.00
22
+ ATOM 22 C PTH 1 84.69 81.36 32.31 0.00 0.00
23
+ ATOM 23 C PTH 1 84.69 81.36 33.31 0.00 0.00
24
+ ATOM 24 C PTH 1 84.69 82.36 29.31 0.00 0.00
25
+ ATOM 25 C PTH 1 84.69 82.36 30.31 0.00 0.00
26
+ ATOM 26 C PTH 1 84.69 82.36 31.31 0.00 0.00
27
+ ATOM 27 C PTH 1 84.69 82.36 32.31 0.00 0.00
28
+ ATOM 28 C PTH 1 84.69 83.36 30.31 0.00 0.00
29
+ ATOM 29 C PTH 1 85.69 78.36 30.31 0.00 0.00
30
+ ATOM 30 C PTH 1 85.69 78.36 31.31 0.00 0.00
31
+ ATOM 31 C PTH 1 85.69 78.36 32.31 0.00 0.00
32
+ ATOM 32 C PTH 1 85.69 79.36 29.31 0.00 0.00
33
+ ATOM 33 C PTH 1 85.69 79.36 30.31 0.00 0.00
34
+ ATOM 34 C PTH 1 85.69 79.36 31.31 0.00 0.00
35
+ ATOM 35 C PTH 1 85.69 79.36 32.31 0.00 0.00
36
+ ATOM 36 C PTH 1 85.69 79.36 33.31 0.00 0.00
37
+ ATOM 37 C PTH 1 85.69 80.36 29.31 0.00 0.00
38
+ ATOM 38 C PTH 1 85.69 80.36 30.31 0.00 0.00
39
+ ATOM 39 C PTH 1 85.69 80.36 31.31 0.00 0.00
40
+ ATOM 40 C PTH 1 85.69 80.36 32.31 0.00 0.00
41
+ ATOM 41 C PTH 1 85.69 80.36 33.31 0.00 0.00
42
+ ATOM 42 C PTH 1 85.69 81.36 28.31 0.00 0.00
43
+ ATOM 43 C PTH 1 85.69 81.36 29.31 0.00 0.00
44
+ ATOM 44 C PTH 1 85.69 81.36 30.31 0.00 0.00
45
+ ATOM 45 C PTH 1 85.69 81.36 31.31 0.00 0.00
46
+ ATOM 46 C PTH 1 85.69 81.36 32.31 0.00 0.00
47
+ ATOM 47 C PTH 1 85.69 81.36 33.31 0.00 0.00
48
+ ATOM 48 C PTH 1 85.69 82.36 29.31 0.00 0.00
49
+ ATOM 49 C PTH 1 85.69 82.36 30.31 0.00 0.00
50
+ ATOM 50 C PTH 1 85.69 82.36 31.31 0.00 0.00
51
+ ATOM 51 C PTH 1 85.69 82.36 32.31 0.00 0.00
52
+ ATOM 52 C PTH 1 86.69 78.36 29.31 0.00 0.00
53
+ ATOM 53 C PTH 1 86.69 78.36 30.31 0.00 0.00
54
+ ATOM 54 C PTH 1 86.69 78.36 31.31 0.00 0.00
55
+ ATOM 55 C PTH 1 86.69 78.36 32.31 0.00 0.00
56
+ ATOM 56 C PTH 1 86.69 79.36 28.31 0.00 0.00
57
+ ATOM 57 C PTH 1 86.69 79.36 29.31 0.00 0.00
58
+ ATOM 58 C PTH 1 86.69 79.36 30.31 0.00 0.00
59
+ ATOM 59 C PTH 1 86.69 79.36 31.31 0.00 0.00
60
+ ATOM 60 C PTH 1 86.69 79.36 32.31 0.00 0.00
61
+ ATOM 61 C PTH 1 86.69 80.36 28.31 0.00 0.00
62
+ ATOM 62 C PTH 1 86.69 80.36 29.31 0.00 0.00
63
+ ATOM 63 C PTH 1 86.69 80.36 30.31 0.00 0.00
64
+ ATOM 64 C PTH 1 86.69 80.36 31.31 0.00 0.00
65
+ ATOM 65 C PTH 1 86.69 80.36 32.31 0.00 0.00
66
+ ATOM 66 C PTH 1 86.69 81.36 28.31 0.00 0.00
67
+ ATOM 67 C PTH 1 86.69 81.36 29.31 0.00 0.00
68
+ ATOM 68 C PTH 1 86.69 81.36 30.31 0.00 0.00
69
+ ATOM 69 C PTH 1 86.69 81.36 31.31 0.00 0.00
70
+ ATOM 70 C PTH 1 86.69 81.36 32.31 0.00 0.00
71
+ ATOM 71 C PTH 1 86.69 82.36 29.31 0.00 0.00
72
+ ATOM 72 C PTH 1 86.69 82.36 30.31 0.00 0.00
73
+ ATOM 73 C PTH 1 86.69 82.36 31.31 0.00 0.00
74
+ ATOM 74 C PTH 1 86.69 82.36 32.31 0.00 0.00
75
+ ATOM 75 C PTH 1 87.69 78.36 29.31 0.00 0.00
76
+ ATOM 76 C PTH 1 87.69 78.36 30.31 0.00 0.00
77
+ ATOM 77 C PTH 1 87.69 78.36 31.31 0.00 0.00
78
+ ATOM 78 C PTH 1 87.69 78.36 32.31 0.00 0.00
79
+ ATOM 79 C PTH 1 87.69 79.36 28.31 0.00 0.00
80
+ ATOM 80 C PTH 1 87.69 79.36 29.31 0.00 0.00
81
+ ATOM 81 C PTH 1 87.69 79.36 30.31 0.00 0.00
82
+ ATOM 82 C PTH 1 87.69 79.36 31.31 0.00 0.00
83
+ ATOM 83 C PTH 1 87.69 79.36 32.31 0.00 0.00
84
+ ATOM 84 C PTH 1 87.69 80.36 28.31 0.00 0.00
85
+ ATOM 85 C PTH 1 87.69 80.36 29.31 0.00 0.00
86
+ ATOM 86 C PTH 1 87.69 80.36 30.31 0.00 0.00
87
+ ATOM 87 C PTH 1 87.69 80.36 31.31 0.00 0.00
88
+ ATOM 88 C PTH 1 87.69 80.36 32.31 0.00 0.00
89
+ ATOM 89 C PTH 1 87.69 81.36 28.31 0.00 0.00
90
+ ATOM 90 C PTH 1 87.69 81.36 29.31 0.00 0.00
91
+ ATOM 91 C PTH 1 87.69 81.36 30.31 0.00 0.00
92
+ ATOM 92 C PTH 1 87.69 81.36 31.31 0.00 0.00
93
+ ATOM 93 C PTH 1 87.69 81.36 32.31 0.00 0.00
94
+ ATOM 94 C PTH 1 87.69 82.36 29.31 0.00 0.00
95
+ ATOM 95 C PTH 1 87.69 82.36 30.31 0.00 0.00
96
+ ATOM 96 C PTH 1 87.69 82.36 31.31 0.00 0.00
97
+ ATOM 97 C PTH 1 88.69 78.36 29.31 0.00 0.00
98
+ ATOM 98 C PTH 1 88.69 78.36 30.31 0.00 0.00
99
+ ATOM 99 C PTH 1 88.69 78.36 31.31 0.00 0.00
100
+ ATOM 100 C PTH 1 88.69 78.36 32.31 0.00 0.00
101
+ ATOM 101 C PTH 1 88.69 79.36 28.31 0.00 0.00
102
+ ATOM 102 C PTH 1 88.69 79.36 29.31 0.00 0.00
103
+ ATOM 103 C PTH 1 88.69 79.36 30.31 0.00 0.00
104
+ ATOM 104 C PTH 1 88.69 79.36 31.31 0.00 0.00
105
+ ATOM 105 C PTH 1 88.69 79.36 32.31 0.00 0.00
106
+ ATOM 106 C PTH 1 88.69 80.36 27.31 0.00 0.00
107
+ ATOM 107 C PTH 1 88.69 80.36 28.31 0.00 0.00
108
+ ATOM 108 C PTH 1 88.69 80.36 29.31 0.00 0.00
109
+ ATOM 109 C PTH 1 88.69 80.36 30.31 0.00 0.00
110
+ ATOM 110 C PTH 1 88.69 80.36 31.31 0.00 0.00
111
+ ATOM 111 C PTH 1 88.69 80.36 32.31 0.00 0.00
112
+ ATOM 112 C PTH 1 88.69 81.36 28.31 0.00 0.00
113
+ ATOM 113 C PTH 1 88.69 81.36 29.31 0.00 0.00
114
+ ATOM 114 C PTH 1 88.69 81.36 30.31 0.00 0.00
115
+ ATOM 115 C PTH 1 88.69 81.36 31.31 0.00 0.00
116
+ ATOM 116 C PTH 1 88.69 81.36 32.31 0.00 0.00
117
+ ATOM 117 C PTH 1 88.69 82.36 29.31 0.00 0.00
118
+ ATOM 118 C PTH 1 88.69 82.36 30.31 0.00 0.00
119
+ ATOM 119 C PTH 1 88.69 82.36 31.31 0.00 0.00
120
+ ATOM 120 C PTH 1 89.69 79.36 29.31 0.00 0.00
121
+ ATOM 121 C PTH 1 89.69 79.36 30.31 0.00 0.00
122
+ ATOM 122 C PTH 1 89.69 79.36 31.31 0.00 0.00
123
+ ATOM 123 C PTH 1 89.69 79.36 32.31 0.00 0.00
124
+ ATOM 124 C PTH 1 89.69 80.36 28.31 0.00 0.00
125
+ ATOM 125 C PTH 1 89.69 80.36 29.31 0.00 0.00
126
+ ATOM 126 C PTH 1 89.69 80.36 30.31 0.00 0.00
127
+ ATOM 127 C PTH 1 89.69 80.36 31.31 0.00 0.00
128
+ ATOM 128 C PTH 1 89.69 80.36 32.31 0.00 0.00
129
+ ATOM 129 C PTH 1 89.69 81.36 28.31 0.00 0.00
130
+ ATOM 130 C PTH 1 89.69 81.36 29.31 0.00 0.00
131
+ ATOM 131 C PTH 1 89.69 81.36 30.31 0.00 0.00
132
+ ATOM 132 C PTH 1 89.69 81.36 31.31 0.00 0.00
133
+ ATOM 133 C PTH 1 89.69 82.36 28.31 0.00 0.00
134
+ ATOM 134 C PTH 1 89.69 82.36 29.31 0.00 0.00
135
+ ATOM 135 C PTH 1 89.69 82.36 30.31 0.00 0.00
136
+ ATOM 136 C PTH 1 90.69 80.36 29.31 0.00 0.00
137
+ ATOM 137 C PTH 1 90.69 80.36 30.31 0.00 0.00
138
+ ATOM 138 C PTH 1 90.69 80.36 31.31 0.00 0.00
139
+ ATOM 139 C PTH 1 90.69 81.36 29.31 0.00 0.00
140
+ ATOM 140 C PTH 1 90.69 81.36 30.31 0.00 0.00
141
+ ATOM 141 C PTH 1 90.69 81.36 31.31 0.00 0.00
data/files/A000L/pocket_03.pdb ADDED
@@ -0,0 +1,117 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 74.69 80.36 24.31 0.00 0.00
2
+ ATOM 2 C PTH 1 74.69 80.36 26.31 0.00 0.00
3
+ ATOM 3 C PTH 1 74.69 81.36 24.31 0.00 0.00
4
+ ATOM 4 C PTH 1 74.69 81.36 25.31 0.00 0.00
5
+ ATOM 5 C PTH 1 74.69 81.36 26.31 0.00 0.00
6
+ ATOM 6 C PTH 1 74.69 82.36 24.31 0.00 0.00
7
+ ATOM 7 C PTH 1 74.69 82.36 25.31 0.00 0.00
8
+ ATOM 8 C PTH 1 74.69 82.36 26.31 0.00 0.00
9
+ ATOM 9 C PTH 1 75.69 79.36 24.31 0.00 0.00
10
+ ATOM 10 C PTH 1 75.69 79.36 25.31 0.00 0.00
11
+ ATOM 11 C PTH 1 75.69 79.36 26.31 0.00 0.00
12
+ ATOM 12 C PTH 1 75.69 80.36 23.31 0.00 0.00
13
+ ATOM 13 C PTH 1 75.69 80.36 24.31 0.00 0.00
14
+ ATOM 14 C PTH 1 75.69 80.36 25.31 0.00 0.00
15
+ ATOM 15 C PTH 1 75.69 80.36 26.31 0.00 0.00
16
+ ATOM 16 C PTH 1 75.69 81.36 23.31 0.00 0.00
17
+ ATOM 17 C PTH 1 75.69 81.36 24.31 0.00 0.00
18
+ ATOM 18 C PTH 1 75.69 81.36 25.31 0.00 0.00
19
+ ATOM 19 C PTH 1 75.69 81.36 26.31 0.00 0.00
20
+ ATOM 20 C PTH 1 75.69 81.36 27.31 0.00 0.00
21
+ ATOM 21 C PTH 1 75.69 82.36 23.31 0.00 0.00
22
+ ATOM 22 C PTH 1 75.69 82.36 24.31 0.00 0.00
23
+ ATOM 23 C PTH 1 75.69 82.36 25.31 0.00 0.00
24
+ ATOM 24 C PTH 1 75.69 82.36 26.31 0.00 0.00
25
+ ATOM 25 C PTH 1 75.69 82.36 27.31 0.00 0.00
26
+ ATOM 26 C PTH 1 75.69 83.36 24.31 0.00 0.00
27
+ ATOM 27 C PTH 1 75.69 83.36 25.31 0.00 0.00
28
+ ATOM 28 C PTH 1 75.69 83.36 26.31 0.00 0.00
29
+ ATOM 29 C PTH 1 75.69 83.36 27.31 0.00 0.00
30
+ ATOM 30 C PTH 1 76.69 79.36 24.31 0.00 0.00
31
+ ATOM 31 C PTH 1 76.69 79.36 25.31 0.00 0.00
32
+ ATOM 32 C PTH 1 76.69 79.36 26.31 0.00 0.00
33
+ ATOM 33 C PTH 1 76.69 79.36 27.31 0.00 0.00
34
+ ATOM 34 C PTH 1 76.69 80.36 23.31 0.00 0.00
35
+ ATOM 35 C PTH 1 76.69 80.36 24.31 0.00 0.00
36
+ ATOM 36 C PTH 1 76.69 80.36 25.31 0.00 0.00
37
+ ATOM 37 C PTH 1 76.69 80.36 26.31 0.00 0.00
38
+ ATOM 38 C PTH 1 76.69 80.36 27.31 0.00 0.00
39
+ ATOM 39 C PTH 1 76.69 81.36 23.31 0.00 0.00
40
+ ATOM 40 C PTH 1 76.69 81.36 24.31 0.00 0.00
41
+ ATOM 41 C PTH 1 76.69 81.36 25.31 0.00 0.00
42
+ ATOM 42 C PTH 1 76.69 81.36 26.31 0.00 0.00
43
+ ATOM 43 C PTH 1 76.69 81.36 27.31 0.00 0.00
44
+ ATOM 44 C PTH 1 76.69 82.36 24.31 0.00 0.00
45
+ ATOM 45 C PTH 1 76.69 82.36 25.31 0.00 0.00
46
+ ATOM 46 C PTH 1 76.69 82.36 26.31 0.00 0.00
47
+ ATOM 47 C PTH 1 76.69 82.36 27.31 0.00 0.00
48
+ ATOM 48 C PTH 1 76.69 83.36 25.31 0.00 0.00
49
+ ATOM 49 C PTH 1 76.69 83.36 26.31 0.00 0.00
50
+ ATOM 50 C PTH 1 76.69 83.36 27.31 0.00 0.00
51
+ ATOM 51 C PTH 1 76.69 84.36 26.31 0.00 0.00
52
+ ATOM 52 C PTH 1 76.69 84.36 27.31 0.00 0.00
53
+ ATOM 53 C PTH 1 77.69 78.36 24.31 0.00 0.00
54
+ ATOM 54 C PTH 1 77.69 78.36 25.31 0.00 0.00
55
+ ATOM 55 C PTH 1 77.69 79.36 24.31 0.00 0.00
56
+ ATOM 56 C PTH 1 77.69 79.36 25.31 0.00 0.00
57
+ ATOM 57 C PTH 1 77.69 79.36 26.31 0.00 0.00
58
+ ATOM 58 C PTH 1 77.69 79.36 27.31 0.00 0.00
59
+ ATOM 59 C PTH 1 77.69 80.36 24.31 0.00 0.00
60
+ ATOM 60 C PTH 1 77.69 80.36 25.31 0.00 0.00
61
+ ATOM 61 C PTH 1 77.69 80.36 26.31 0.00 0.00
62
+ ATOM 62 C PTH 1 77.69 80.36 27.31 0.00 0.00
63
+ ATOM 63 C PTH 1 77.69 81.36 24.31 0.00 0.00
64
+ ATOM 64 C PTH 1 77.69 81.36 25.31 0.00 0.00
65
+ ATOM 65 C PTH 1 77.69 81.36 26.31 0.00 0.00
66
+ ATOM 66 C PTH 1 77.69 81.36 27.31 0.00 0.00
67
+ ATOM 67 C PTH 1 77.69 81.36 28.31 0.00 0.00
68
+ ATOM 68 C PTH 1 77.69 82.36 24.31 0.00 0.00
69
+ ATOM 69 C PTH 1 77.69 82.36 25.31 0.00 0.00
70
+ ATOM 70 C PTH 1 77.69 82.36 26.31 0.00 0.00
71
+ ATOM 71 C PTH 1 77.69 82.36 27.31 0.00 0.00
72
+ ATOM 72 C PTH 1 77.69 82.36 28.31 0.00 0.00
73
+ ATOM 73 C PTH 1 77.69 83.36 25.31 0.00 0.00
74
+ ATOM 74 C PTH 1 77.69 83.36 26.31 0.00 0.00
75
+ ATOM 75 C PTH 1 77.69 83.36 27.31 0.00 0.00
76
+ ATOM 76 C PTH 1 77.69 84.36 26.31 0.00 0.00
77
+ ATOM 77 C PTH 1 77.69 84.36 27.31 0.00 0.00
78
+ ATOM 78 C PTH 1 78.69 78.36 24.31 0.00 0.00
79
+ ATOM 79 C PTH 1 78.69 78.36 25.31 0.00 0.00
80
+ ATOM 80 C PTH 1 78.69 78.36 26.31 0.00 0.00
81
+ ATOM 81 C PTH 1 78.69 79.36 24.31 0.00 0.00
82
+ ATOM 82 C PTH 1 78.69 79.36 25.31 0.00 0.00
83
+ ATOM 83 C PTH 1 78.69 79.36 26.31 0.00 0.00
84
+ ATOM 84 C PTH 1 78.69 79.36 27.31 0.00 0.00
85
+ ATOM 85 C PTH 1 78.69 80.36 25.31 0.00 0.00
86
+ ATOM 86 C PTH 1 78.69 80.36 26.31 0.00 0.00
87
+ ATOM 87 C PTH 1 78.69 80.36 27.31 0.00 0.00
88
+ ATOM 88 C PTH 1 78.69 80.36 28.31 0.00 0.00
89
+ ATOM 89 C PTH 1 78.69 81.36 25.31 0.00 0.00
90
+ ATOM 90 C PTH 1 78.69 81.36 26.31 0.00 0.00
91
+ ATOM 91 C PTH 1 78.69 81.36 27.31 0.00 0.00
92
+ ATOM 92 C PTH 1 78.69 81.36 28.31 0.00 0.00
93
+ ATOM 93 C PTH 1 78.69 82.36 25.31 0.00 0.00
94
+ ATOM 94 C PTH 1 78.69 82.36 26.31 0.00 0.00
95
+ ATOM 95 C PTH 1 78.69 82.36 27.31 0.00 0.00
96
+ ATOM 96 C PTH 1 78.69 82.36 28.31 0.00 0.00
97
+ ATOM 97 C PTH 1 78.69 83.36 26.31 0.00 0.00
98
+ ATOM 98 C PTH 1 78.69 83.36 27.31 0.00 0.00
99
+ ATOM 99 C PTH 1 78.69 83.36 28.31 0.00 0.00
100
+ ATOM 100 C PTH 1 79.69 78.36 24.31 0.00 0.00
101
+ ATOM 101 C PTH 1 79.69 78.36 25.31 0.00 0.00
102
+ ATOM 102 C PTH 1 79.69 78.36 26.31 0.00 0.00
103
+ ATOM 103 C PTH 1 79.69 79.36 25.31 0.00 0.00
104
+ ATOM 104 C PTH 1 79.69 79.36 26.31 0.00 0.00
105
+ ATOM 105 C PTH 1 79.69 79.36 27.31 0.00 0.00
106
+ ATOM 106 C PTH 1 79.69 80.36 26.31 0.00 0.00
107
+ ATOM 107 C PTH 1 79.69 80.36 27.31 0.00 0.00
108
+ ATOM 108 C PTH 1 79.69 80.36 28.31 0.00 0.00
109
+ ATOM 109 C PTH 1 79.69 81.36 26.31 0.00 0.00
110
+ ATOM 110 C PTH 1 79.69 81.36 27.31 0.00 0.00
111
+ ATOM 111 C PTH 1 79.69 81.36 28.31 0.00 0.00
112
+ ATOM 112 C PTH 1 79.69 82.36 26.31 0.00 0.00
113
+ ATOM 113 C PTH 1 79.69 82.36 27.31 0.00 0.00
114
+ ATOM 114 C PTH 1 79.69 82.36 28.31 0.00 0.00
115
+ ATOM 115 C PTH 1 79.69 83.36 26.31 0.00 0.00
116
+ ATOM 116 C PTH 1 79.69 83.36 27.31 0.00 0.00
117
+ ATOM 117 C PTH 1 79.69 83.36 28.31 0.00 0.00
data/files/A000L/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A000P/pocket_01.pdb ADDED
@@ -0,0 +1,391 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 69.12 65.45 39.21 0.00 0.00
2
+ ATOM 2 C PTH 1 70.12 63.45 38.21 0.00 0.00
3
+ ATOM 3 C PTH 1 70.12 63.45 39.21 0.00 0.00
4
+ ATOM 4 C PTH 1 70.12 64.45 38.21 0.00 0.00
5
+ ATOM 5 C PTH 1 70.12 64.45 39.21 0.00 0.00
6
+ ATOM 6 C PTH 1 70.12 64.45 40.21 0.00 0.00
7
+ ATOM 7 C PTH 1 70.12 65.45 38.21 0.00 0.00
8
+ ATOM 8 C PTH 1 70.12 65.45 39.21 0.00 0.00
9
+ ATOM 9 C PTH 1 70.12 65.45 40.21 0.00 0.00
10
+ ATOM 10 C PTH 1 70.12 66.45 38.21 0.00 0.00
11
+ ATOM 11 C PTH 1 70.12 66.45 39.21 0.00 0.00
12
+ ATOM 12 C PTH 1 70.12 66.45 40.21 0.00 0.00
13
+ ATOM 13 C PTH 1 70.12 67.45 38.21 0.00 0.00
14
+ ATOM 14 C PTH 1 70.12 67.45 39.21 0.00 0.00
15
+ ATOM 15 C PTH 1 70.12 67.45 40.21 0.00 0.00
16
+ ATOM 16 C PTH 1 70.12 68.45 38.21 0.00 0.00
17
+ ATOM 17 C PTH 1 70.12 68.45 39.21 0.00 0.00
18
+ ATOM 18 C PTH 1 70.12 68.45 40.21 0.00 0.00
19
+ ATOM 19 C PTH 1 70.12 69.45 39.21 0.00 0.00
20
+ ATOM 20 C PTH 1 70.12 69.45 40.21 0.00 0.00
21
+ ATOM 21 C PTH 1 70.12 69.45 41.21 0.00 0.00
22
+ ATOM 22 C PTH 1 70.12 70.45 40.21 0.00 0.00
23
+ ATOM 23 C PTH 1 70.12 70.45 41.21 0.00 0.00
24
+ ATOM 24 C PTH 1 71.12 63.45 38.21 0.00 0.00
25
+ ATOM 25 C PTH 1 71.12 63.45 39.21 0.00 0.00
26
+ ATOM 26 C PTH 1 71.12 64.45 38.21 0.00 0.00
27
+ ATOM 27 C PTH 1 71.12 64.45 39.21 0.00 0.00
28
+ ATOM 28 C PTH 1 71.12 64.45 40.21 0.00 0.00
29
+ ATOM 29 C PTH 1 71.12 65.45 37.21 0.00 0.00
30
+ ATOM 30 C PTH 1 71.12 65.45 38.21 0.00 0.00
31
+ ATOM 31 C PTH 1 71.12 65.45 39.21 0.00 0.00
32
+ ATOM 32 C PTH 1 71.12 65.45 40.21 0.00 0.00
33
+ ATOM 33 C PTH 1 71.12 66.45 37.21 0.00 0.00
34
+ ATOM 34 C PTH 1 71.12 66.45 38.21 0.00 0.00
35
+ ATOM 35 C PTH 1 71.12 66.45 39.21 0.00 0.00
36
+ ATOM 36 C PTH 1 71.12 66.45 40.21 0.00 0.00
37
+ ATOM 37 C PTH 1 71.12 66.45 41.21 0.00 0.00
38
+ ATOM 38 C PTH 1 71.12 67.45 37.21 0.00 0.00
39
+ ATOM 39 C PTH 1 71.12 67.45 38.21 0.00 0.00
40
+ ATOM 40 C PTH 1 71.12 67.45 39.21 0.00 0.00
41
+ ATOM 41 C PTH 1 71.12 67.45 40.21 0.00 0.00
42
+ ATOM 42 C PTH 1 71.12 67.45 41.21 0.00 0.00
43
+ ATOM 43 C PTH 1 71.12 68.45 37.21 0.00 0.00
44
+ ATOM 44 C PTH 1 71.12 68.45 38.21 0.00 0.00
45
+ ATOM 45 C PTH 1 71.12 68.45 39.21 0.00 0.00
46
+ ATOM 46 C PTH 1 71.12 68.45 40.21 0.00 0.00
47
+ ATOM 47 C PTH 1 71.12 68.45 41.21 0.00 0.00
48
+ ATOM 48 C PTH 1 71.12 69.45 37.21 0.00 0.00
49
+ ATOM 49 C PTH 1 71.12 69.45 38.21 0.00 0.00
50
+ ATOM 50 C PTH 1 71.12 69.45 39.21 0.00 0.00
51
+ ATOM 51 C PTH 1 71.12 69.45 40.21 0.00 0.00
52
+ ATOM 52 C PTH 1 71.12 69.45 41.21 0.00 0.00
53
+ ATOM 53 C PTH 1 71.12 69.45 42.21 0.00 0.00
54
+ ATOM 54 C PTH 1 71.12 70.45 38.21 0.00 0.00
55
+ ATOM 55 C PTH 1 71.12 70.45 39.21 0.00 0.00
56
+ ATOM 56 C PTH 1 71.12 70.45 40.21 0.00 0.00
57
+ ATOM 57 C PTH 1 71.12 70.45 41.21 0.00 0.00
58
+ ATOM 58 C PTH 1 71.12 70.45 42.21 0.00 0.00
59
+ ATOM 59 C PTH 1 71.12 71.45 38.21 0.00 0.00
60
+ ATOM 60 C PTH 1 71.12 71.45 39.21 0.00 0.00
61
+ ATOM 61 C PTH 1 71.12 71.45 40.21 0.00 0.00
62
+ ATOM 62 C PTH 1 71.12 71.45 41.21 0.00 0.00
63
+ ATOM 63 C PTH 1 71.12 71.45 42.21 0.00 0.00
64
+ ATOM 64 C PTH 1 71.12 72.45 41.21 0.00 0.00
65
+ ATOM 65 C PTH 1 71.12 75.45 44.21 0.00 0.00
66
+ ATOM 66 C PTH 1 72.12 64.45 38.21 0.00 0.00
67
+ ATOM 67 C PTH 1 72.12 64.45 39.21 0.00 0.00
68
+ ATOM 68 C PTH 1 72.12 64.45 40.21 0.00 0.00
69
+ ATOM 69 C PTH 1 72.12 65.45 37.21 0.00 0.00
70
+ ATOM 70 C PTH 1 72.12 65.45 38.21 0.00 0.00
71
+ ATOM 71 C PTH 1 72.12 65.45 39.21 0.00 0.00
72
+ ATOM 72 C PTH 1 72.12 65.45 40.21 0.00 0.00
73
+ ATOM 73 C PTH 1 72.12 66.45 36.21 0.00 0.00
74
+ ATOM 74 C PTH 1 72.12 66.45 37.21 0.00 0.00
75
+ ATOM 75 C PTH 1 72.12 66.45 38.21 0.00 0.00
76
+ ATOM 76 C PTH 1 72.12 66.45 39.21 0.00 0.00
77
+ ATOM 77 C PTH 1 72.12 66.45 40.21 0.00 0.00
78
+ ATOM 78 C PTH 1 72.12 66.45 41.21 0.00 0.00
79
+ ATOM 79 C PTH 1 72.12 67.45 36.21 0.00 0.00
80
+ ATOM 80 C PTH 1 72.12 67.45 37.21 0.00 0.00
81
+ ATOM 81 C PTH 1 72.12 67.45 38.21 0.00 0.00
82
+ ATOM 82 C PTH 1 72.12 67.45 39.21 0.00 0.00
83
+ ATOM 83 C PTH 1 72.12 67.45 40.21 0.00 0.00
84
+ ATOM 84 C PTH 1 72.12 67.45 41.21 0.00 0.00
85
+ ATOM 85 C PTH 1 72.12 68.45 36.21 0.00 0.00
86
+ ATOM 86 C PTH 1 72.12 68.45 37.21 0.00 0.00
87
+ ATOM 87 C PTH 1 72.12 68.45 38.21 0.00 0.00
88
+ ATOM 88 C PTH 1 72.12 68.45 39.21 0.00 0.00
89
+ ATOM 89 C PTH 1 72.12 68.45 40.21 0.00 0.00
90
+ ATOM 90 C PTH 1 72.12 68.45 41.21 0.00 0.00
91
+ ATOM 91 C PTH 1 72.12 69.45 36.21 0.00 0.00
92
+ ATOM 92 C PTH 1 72.12 69.45 37.21 0.00 0.00
93
+ ATOM 93 C PTH 1 72.12 69.45 38.21 0.00 0.00
94
+ ATOM 94 C PTH 1 72.12 69.45 39.21 0.00 0.00
95
+ ATOM 95 C PTH 1 72.12 69.45 40.21 0.00 0.00
96
+ ATOM 96 C PTH 1 72.12 69.45 41.21 0.00 0.00
97
+ ATOM 97 C PTH 1 72.12 69.45 42.21 0.00 0.00
98
+ ATOM 98 C PTH 1 72.12 70.45 37.21 0.00 0.00
99
+ ATOM 99 C PTH 1 72.12 70.45 38.21 0.00 0.00
100
+ ATOM 100 C PTH 1 72.12 70.45 39.21 0.00 0.00
101
+ ATOM 101 C PTH 1 72.12 70.45 40.21 0.00 0.00
102
+ ATOM 102 C PTH 1 72.12 70.45 41.21 0.00 0.00
103
+ ATOM 103 C PTH 1 72.12 70.45 42.21 0.00 0.00
104
+ ATOM 104 C PTH 1 72.12 70.45 43.21 0.00 0.00
105
+ ATOM 105 C PTH 1 72.12 71.45 38.21 0.00 0.00
106
+ ATOM 106 C PTH 1 72.12 71.45 39.21 0.00 0.00
107
+ ATOM 107 C PTH 1 72.12 71.45 40.21 0.00 0.00
108
+ ATOM 108 C PTH 1 72.12 71.45 41.21 0.00 0.00
109
+ ATOM 109 C PTH 1 72.12 71.45 42.21 0.00 0.00
110
+ ATOM 110 C PTH 1 72.12 71.45 43.21 0.00 0.00
111
+ ATOM 111 C PTH 1 72.12 71.45 44.21 0.00 0.00
112
+ ATOM 112 C PTH 1 72.12 72.45 38.21 0.00 0.00
113
+ ATOM 113 C PTH 1 72.12 72.45 39.21 0.00 0.00
114
+ ATOM 114 C PTH 1 72.12 72.45 40.21 0.00 0.00
115
+ ATOM 115 C PTH 1 72.12 72.45 41.21 0.00 0.00
116
+ ATOM 116 C PTH 1 72.12 72.45 42.21 0.00 0.00
117
+ ATOM 117 C PTH 1 72.12 72.45 43.21 0.00 0.00
118
+ ATOM 118 C PTH 1 72.12 72.45 44.21 0.00 0.00
119
+ ATOM 119 C PTH 1 72.12 73.45 42.21 0.00 0.00
120
+ ATOM 120 C PTH 1 72.12 73.45 43.21 0.00 0.00
121
+ ATOM 121 C PTH 1 72.12 73.45 44.21 0.00 0.00
122
+ ATOM 122 C PTH 1 72.12 73.45 45.21 0.00 0.00
123
+ ATOM 123 C PTH 1 72.12 74.45 42.21 0.00 0.00
124
+ ATOM 124 C PTH 1 72.12 74.45 43.21 0.00 0.00
125
+ ATOM 125 C PTH 1 72.12 74.45 44.21 0.00 0.00
126
+ ATOM 126 C PTH 1 72.12 75.45 44.21 0.00 0.00
127
+ ATOM 127 C PTH 1 72.12 75.45 45.21 0.00 0.00
128
+ ATOM 128 C PTH 1 73.12 64.45 39.21 0.00 0.00
129
+ ATOM 129 C PTH 1 73.12 65.45 37.21 0.00 0.00
130
+ ATOM 130 C PTH 1 73.12 65.45 38.21 0.00 0.00
131
+ ATOM 131 C PTH 1 73.12 65.45 39.21 0.00 0.00
132
+ ATOM 132 C PTH 1 73.12 65.45 40.21 0.00 0.00
133
+ ATOM 133 C PTH 1 73.12 66.45 36.21 0.00 0.00
134
+ ATOM 134 C PTH 1 73.12 66.45 37.21 0.00 0.00
135
+ ATOM 135 C PTH 1 73.12 66.45 38.21 0.00 0.00
136
+ ATOM 136 C PTH 1 73.12 66.45 39.21 0.00 0.00
137
+ ATOM 137 C PTH 1 73.12 66.45 40.21 0.00 0.00
138
+ ATOM 138 C PTH 1 73.12 67.45 36.21 0.00 0.00
139
+ ATOM 139 C PTH 1 73.12 67.45 37.21 0.00 0.00
140
+ ATOM 140 C PTH 1 73.12 67.45 38.21 0.00 0.00
141
+ ATOM 141 C PTH 1 73.12 67.45 39.21 0.00 0.00
142
+ ATOM 142 C PTH 1 73.12 67.45 40.21 0.00 0.00
143
+ ATOM 143 C PTH 1 73.12 67.45 41.21 0.00 0.00
144
+ ATOM 144 C PTH 1 73.12 68.45 35.21 0.00 0.00
145
+ ATOM 145 C PTH 1 73.12 68.45 36.21 0.00 0.00
146
+ ATOM 146 C PTH 1 73.12 68.45 37.21 0.00 0.00
147
+ ATOM 147 C PTH 1 73.12 68.45 38.21 0.00 0.00
148
+ ATOM 148 C PTH 1 73.12 68.45 39.21 0.00 0.00
149
+ ATOM 149 C PTH 1 73.12 68.45 40.21 0.00 0.00
150
+ ATOM 150 C PTH 1 73.12 68.45 41.21 0.00 0.00
151
+ ATOM 151 C PTH 1 73.12 69.45 35.21 0.00 0.00
152
+ ATOM 152 C PTH 1 73.12 69.45 36.21 0.00 0.00
153
+ ATOM 153 C PTH 1 73.12 69.45 37.21 0.00 0.00
154
+ ATOM 154 C PTH 1 73.12 69.45 38.21 0.00 0.00
155
+ ATOM 155 C PTH 1 73.12 69.45 39.21 0.00 0.00
156
+ ATOM 156 C PTH 1 73.12 69.45 40.21 0.00 0.00
157
+ ATOM 157 C PTH 1 73.12 69.45 41.21 0.00 0.00
158
+ ATOM 158 C PTH 1 73.12 69.45 42.21 0.00 0.00
159
+ ATOM 159 C PTH 1 73.12 70.45 36.21 0.00 0.00
160
+ ATOM 160 C PTH 1 73.12 70.45 37.21 0.00 0.00
161
+ ATOM 161 C PTH 1 73.12 70.45 38.21 0.00 0.00
162
+ ATOM 162 C PTH 1 73.12 70.45 39.21 0.00 0.00
163
+ ATOM 163 C PTH 1 73.12 70.45 40.21 0.00 0.00
164
+ ATOM 164 C PTH 1 73.12 70.45 41.21 0.00 0.00
165
+ ATOM 165 C PTH 1 73.12 70.45 42.21 0.00 0.00
166
+ ATOM 166 C PTH 1 73.12 70.45 43.21 0.00 0.00
167
+ ATOM 167 C PTH 1 73.12 70.45 44.21 0.00 0.00
168
+ ATOM 168 C PTH 1 73.12 70.45 45.21 0.00 0.00
169
+ ATOM 169 C PTH 1 73.12 71.45 37.21 0.00 0.00
170
+ ATOM 170 C PTH 1 73.12 71.45 38.21 0.00 0.00
171
+ ATOM 171 C PTH 1 73.12 71.45 39.21 0.00 0.00
172
+ ATOM 172 C PTH 1 73.12 71.45 40.21 0.00 0.00
173
+ ATOM 173 C PTH 1 73.12 71.45 41.21 0.00 0.00
174
+ ATOM 174 C PTH 1 73.12 71.45 42.21 0.00 0.00
175
+ ATOM 175 C PTH 1 73.12 71.45 43.21 0.00 0.00
176
+ ATOM 176 C PTH 1 73.12 71.45 44.21 0.00 0.00
177
+ ATOM 177 C PTH 1 73.12 71.45 45.21 0.00 0.00
178
+ ATOM 178 C PTH 1 73.12 72.45 37.21 0.00 0.00
179
+ ATOM 179 C PTH 1 73.12 72.45 38.21 0.00 0.00
180
+ ATOM 180 C PTH 1 73.12 72.45 39.21 0.00 0.00
181
+ ATOM 181 C PTH 1 73.12 72.45 40.21 0.00 0.00
182
+ ATOM 182 C PTH 1 73.12 72.45 41.21 0.00 0.00
183
+ ATOM 183 C PTH 1 73.12 72.45 42.21 0.00 0.00
184
+ ATOM 184 C PTH 1 73.12 72.45 43.21 0.00 0.00
185
+ ATOM 185 C PTH 1 73.12 72.45 44.21 0.00 0.00
186
+ ATOM 186 C PTH 1 73.12 72.45 45.21 0.00 0.00
187
+ ATOM 187 C PTH 1 73.12 73.45 39.21 0.00 0.00
188
+ ATOM 188 C PTH 1 73.12 73.45 40.21 0.00 0.00
189
+ ATOM 189 C PTH 1 73.12 73.45 41.21 0.00 0.00
190
+ ATOM 190 C PTH 1 73.12 73.45 42.21 0.00 0.00
191
+ ATOM 191 C PTH 1 73.12 73.45 43.21 0.00 0.00
192
+ ATOM 192 C PTH 1 73.12 73.45 44.21 0.00 0.00
193
+ ATOM 193 C PTH 1 73.12 73.45 45.21 0.00 0.00
194
+ ATOM 194 C PTH 1 73.12 74.45 40.21 0.00 0.00
195
+ ATOM 195 C PTH 1 73.12 74.45 41.21 0.00 0.00
196
+ ATOM 196 C PTH 1 73.12 74.45 42.21 0.00 0.00
197
+ ATOM 197 C PTH 1 73.12 74.45 43.21 0.00 0.00
198
+ ATOM 198 C PTH 1 73.12 74.45 44.21 0.00 0.00
199
+ ATOM 199 C PTH 1 73.12 74.45 45.21 0.00 0.00
200
+ ATOM 200 C PTH 1 73.12 75.45 44.21 0.00 0.00
201
+ ATOM 201 C PTH 1 74.12 65.45 37.21 0.00 0.00
202
+ ATOM 202 C PTH 1 74.12 65.45 38.21 0.00 0.00
203
+ ATOM 203 C PTH 1 74.12 65.45 39.21 0.00 0.00
204
+ ATOM 204 C PTH 1 74.12 66.45 36.21 0.00 0.00
205
+ ATOM 205 C PTH 1 74.12 66.45 37.21 0.00 0.00
206
+ ATOM 206 C PTH 1 74.12 66.45 38.21 0.00 0.00
207
+ ATOM 207 C PTH 1 74.12 66.45 39.21 0.00 0.00
208
+ ATOM 208 C PTH 1 74.12 66.45 40.21 0.00 0.00
209
+ ATOM 209 C PTH 1 74.12 67.45 36.21 0.00 0.00
210
+ ATOM 210 C PTH 1 74.12 67.45 37.21 0.00 0.00
211
+ ATOM 211 C PTH 1 74.12 67.45 38.21 0.00 0.00
212
+ ATOM 212 C PTH 1 74.12 67.45 39.21 0.00 0.00
213
+ ATOM 213 C PTH 1 74.12 67.45 40.21 0.00 0.00
214
+ ATOM 214 C PTH 1 74.12 68.45 35.21 0.00 0.00
215
+ ATOM 215 C PTH 1 74.12 68.45 36.21 0.00 0.00
216
+ ATOM 216 C PTH 1 74.12 68.45 37.21 0.00 0.00
217
+ ATOM 217 C PTH 1 74.12 68.45 38.21 0.00 0.00
218
+ ATOM 218 C PTH 1 74.12 68.45 39.21 0.00 0.00
219
+ ATOM 219 C PTH 1 74.12 68.45 40.21 0.00 0.00
220
+ ATOM 220 C PTH 1 74.12 68.45 41.21 0.00 0.00
221
+ ATOM 221 C PTH 1 74.12 69.45 35.21 0.00 0.00
222
+ ATOM 222 C PTH 1 74.12 69.45 36.21 0.00 0.00
223
+ ATOM 223 C PTH 1 74.12 69.45 37.21 0.00 0.00
224
+ ATOM 224 C PTH 1 74.12 69.45 38.21 0.00 0.00
225
+ ATOM 225 C PTH 1 74.12 69.45 39.21 0.00 0.00
226
+ ATOM 226 C PTH 1 74.12 69.45 40.21 0.00 0.00
227
+ ATOM 227 C PTH 1 74.12 69.45 41.21 0.00 0.00
228
+ ATOM 228 C PTH 1 74.12 69.45 42.21 0.00 0.00
229
+ ATOM 229 C PTH 1 74.12 70.45 36.21 0.00 0.00
230
+ ATOM 230 C PTH 1 74.12 70.45 37.21 0.00 0.00
231
+ ATOM 231 C PTH 1 74.12 70.45 38.21 0.00 0.00
232
+ ATOM 232 C PTH 1 74.12 70.45 39.21 0.00 0.00
233
+ ATOM 233 C PTH 1 74.12 70.45 40.21 0.00 0.00
234
+ ATOM 234 C PTH 1 74.12 70.45 41.21 0.00 0.00
235
+ ATOM 235 C PTH 1 74.12 70.45 42.21 0.00 0.00
236
+ ATOM 236 C PTH 1 74.12 70.45 43.21 0.00 0.00
237
+ ATOM 237 C PTH 1 74.12 70.45 44.21 0.00 0.00
238
+ ATOM 238 C PTH 1 74.12 70.45 45.21 0.00 0.00
239
+ ATOM 239 C PTH 1 74.12 71.45 37.21 0.00 0.00
240
+ ATOM 240 C PTH 1 74.12 71.45 38.21 0.00 0.00
241
+ ATOM 241 C PTH 1 74.12 71.45 39.21 0.00 0.00
242
+ ATOM 242 C PTH 1 74.12 71.45 40.21 0.00 0.00
243
+ ATOM 243 C PTH 1 74.12 71.45 41.21 0.00 0.00
244
+ ATOM 244 C PTH 1 74.12 71.45 42.21 0.00 0.00
245
+ ATOM 245 C PTH 1 74.12 71.45 43.21 0.00 0.00
246
+ ATOM 246 C PTH 1 74.12 71.45 44.21 0.00 0.00
247
+ ATOM 247 C PTH 1 74.12 71.45 45.21 0.00 0.00
248
+ ATOM 248 C PTH 1 74.12 72.45 37.21 0.00 0.00
249
+ ATOM 249 C PTH 1 74.12 72.45 38.21 0.00 0.00
250
+ ATOM 250 C PTH 1 74.12 72.45 39.21 0.00 0.00
251
+ ATOM 251 C PTH 1 74.12 72.45 40.21 0.00 0.00
252
+ ATOM 252 C PTH 1 74.12 72.45 41.21 0.00 0.00
253
+ ATOM 253 C PTH 1 74.12 72.45 42.21 0.00 0.00
254
+ ATOM 254 C PTH 1 74.12 72.45 43.21 0.00 0.00
255
+ ATOM 255 C PTH 1 74.12 72.45 44.21 0.00 0.00
256
+ ATOM 256 C PTH 1 74.12 72.45 45.21 0.00 0.00
257
+ ATOM 257 C PTH 1 74.12 73.45 37.21 0.00 0.00
258
+ ATOM 258 C PTH 1 74.12 73.45 38.21 0.00 0.00
259
+ ATOM 259 C PTH 1 74.12 73.45 39.21 0.00 0.00
260
+ ATOM 260 C PTH 1 74.12 73.45 40.21 0.00 0.00
261
+ ATOM 261 C PTH 1 74.12 73.45 41.21 0.00 0.00
262
+ ATOM 262 C PTH 1 74.12 73.45 42.21 0.00 0.00
263
+ ATOM 263 C PTH 1 74.12 73.45 43.21 0.00 0.00
264
+ ATOM 264 C PTH 1 74.12 73.45 44.21 0.00 0.00
265
+ ATOM 265 C PTH 1 74.12 73.45 45.21 0.00 0.00
266
+ ATOM 266 C PTH 1 74.12 74.45 37.21 0.00 0.00
267
+ ATOM 267 C PTH 1 74.12 74.45 38.21 0.00 0.00
268
+ ATOM 268 C PTH 1 74.12 74.45 39.21 0.00 0.00
269
+ ATOM 269 C PTH 1 74.12 74.45 40.21 0.00 0.00
270
+ ATOM 270 C PTH 1 74.12 74.45 41.21 0.00 0.00
271
+ ATOM 271 C PTH 1 74.12 74.45 42.21 0.00 0.00
272
+ ATOM 272 C PTH 1 74.12 74.45 43.21 0.00 0.00
273
+ ATOM 273 C PTH 1 74.12 74.45 44.21 0.00 0.00
274
+ ATOM 274 C PTH 1 74.12 74.45 45.21 0.00 0.00
275
+ ATOM 275 C PTH 1 75.12 65.45 37.21 0.00 0.00
276
+ ATOM 276 C PTH 1 75.12 65.45 38.21 0.00 0.00
277
+ ATOM 277 C PTH 1 75.12 65.45 39.21 0.00 0.00
278
+ ATOM 278 C PTH 1 75.12 66.45 36.21 0.00 0.00
279
+ ATOM 279 C PTH 1 75.12 66.45 37.21 0.00 0.00
280
+ ATOM 280 C PTH 1 75.12 66.45 38.21 0.00 0.00
281
+ ATOM 281 C PTH 1 75.12 66.45 39.21 0.00 0.00
282
+ ATOM 282 C PTH 1 75.12 67.45 36.21 0.00 0.00
283
+ ATOM 283 C PTH 1 75.12 67.45 37.21 0.00 0.00
284
+ ATOM 284 C PTH 1 75.12 67.45 38.21 0.00 0.00
285
+ ATOM 285 C PTH 1 75.12 67.45 39.21 0.00 0.00
286
+ ATOM 286 C PTH 1 75.12 67.45 40.21 0.00 0.00
287
+ ATOM 287 C PTH 1 75.12 68.45 36.21 0.00 0.00
288
+ ATOM 288 C PTH 1 75.12 68.45 37.21 0.00 0.00
289
+ ATOM 289 C PTH 1 75.12 68.45 38.21 0.00 0.00
290
+ ATOM 290 C PTH 1 75.12 68.45 39.21 0.00 0.00
291
+ ATOM 291 C PTH 1 75.12 68.45 40.21 0.00 0.00
292
+ ATOM 292 C PTH 1 75.12 69.45 36.21 0.00 0.00
293
+ ATOM 293 C PTH 1 75.12 69.45 37.21 0.00 0.00
294
+ ATOM 294 C PTH 1 75.12 69.45 38.21 0.00 0.00
295
+ ATOM 295 C PTH 1 75.12 69.45 39.21 0.00 0.00
296
+ ATOM 296 C PTH 1 75.12 69.45 40.21 0.00 0.00
297
+ ATOM 297 C PTH 1 75.12 69.45 41.21 0.00 0.00
298
+ ATOM 298 C PTH 1 75.12 69.45 42.21 0.00 0.00
299
+ ATOM 299 C PTH 1 75.12 70.45 36.21 0.00 0.00
300
+ ATOM 300 C PTH 1 75.12 70.45 37.21 0.00 0.00
301
+ ATOM 301 C PTH 1 75.12 70.45 38.21 0.00 0.00
302
+ ATOM 302 C PTH 1 75.12 70.45 39.21 0.00 0.00
303
+ ATOM 303 C PTH 1 75.12 70.45 40.21 0.00 0.00
304
+ ATOM 304 C PTH 1 75.12 70.45 41.21 0.00 0.00
305
+ ATOM 305 C PTH 1 75.12 70.45 42.21 0.00 0.00
306
+ ATOM 306 C PTH 1 75.12 70.45 43.21 0.00 0.00
307
+ ATOM 307 C PTH 1 75.12 70.45 44.21 0.00 0.00
308
+ ATOM 308 C PTH 1 75.12 70.45 45.21 0.00 0.00
309
+ ATOM 309 C PTH 1 75.12 71.45 37.21 0.00 0.00
310
+ ATOM 310 C PTH 1 75.12 71.45 38.21 0.00 0.00
311
+ ATOM 311 C PTH 1 75.12 71.45 39.21 0.00 0.00
312
+ ATOM 312 C PTH 1 75.12 71.45 40.21 0.00 0.00
313
+ ATOM 313 C PTH 1 75.12 71.45 41.21 0.00 0.00
314
+ ATOM 314 C PTH 1 75.12 71.45 42.21 0.00 0.00
315
+ ATOM 315 C PTH 1 75.12 71.45 43.21 0.00 0.00
316
+ ATOM 316 C PTH 1 75.12 71.45 44.21 0.00 0.00
317
+ ATOM 317 C PTH 1 75.12 71.45 45.21 0.00 0.00
318
+ ATOM 318 C PTH 1 75.12 72.45 37.21 0.00 0.00
319
+ ATOM 319 C PTH 1 75.12 72.45 38.21 0.00 0.00
320
+ ATOM 320 C PTH 1 75.12 72.45 39.21 0.00 0.00
321
+ ATOM 321 C PTH 1 75.12 72.45 40.21 0.00 0.00
322
+ ATOM 322 C PTH 1 75.12 72.45 41.21 0.00 0.00
323
+ ATOM 323 C PTH 1 75.12 72.45 42.21 0.00 0.00
324
+ ATOM 324 C PTH 1 75.12 72.45 43.21 0.00 0.00
325
+ ATOM 325 C PTH 1 75.12 72.45 44.21 0.00 0.00
326
+ ATOM 326 C PTH 1 75.12 72.45 45.21 0.00 0.00
327
+ ATOM 327 C PTH 1 75.12 73.45 37.21 0.00 0.00
328
+ ATOM 328 C PTH 1 75.12 73.45 38.21 0.00 0.00
329
+ ATOM 329 C PTH 1 75.12 73.45 39.21 0.00 0.00
330
+ ATOM 330 C PTH 1 75.12 73.45 40.21 0.00 0.00
331
+ ATOM 331 C PTH 1 75.12 73.45 41.21 0.00 0.00
332
+ ATOM 332 C PTH 1 75.12 73.45 42.21 0.00 0.00
333
+ ATOM 333 C PTH 1 75.12 73.45 43.21 0.00 0.00
334
+ ATOM 334 C PTH 1 75.12 73.45 44.21 0.00 0.00
335
+ ATOM 335 C PTH 1 75.12 74.45 37.21 0.00 0.00
336
+ ATOM 336 C PTH 1 75.12 74.45 38.21 0.00 0.00
337
+ ATOM 337 C PTH 1 75.12 74.45 39.21 0.00 0.00
338
+ ATOM 338 C PTH 1 75.12 74.45 40.21 0.00 0.00
339
+ ATOM 339 C PTH 1 75.12 74.45 41.21 0.00 0.00
340
+ ATOM 340 C PTH 1 75.12 74.45 42.21 0.00 0.00
341
+ ATOM 341 C PTH 1 75.12 74.45 43.21 0.00 0.00
342
+ ATOM 342 C PTH 1 75.12 74.45 44.21 0.00 0.00
343
+ ATOM 343 C PTH 1 75.12 75.45 37.21 0.00 0.00
344
+ ATOM 344 C PTH 1 76.12 68.45 37.21 0.00 0.00
345
+ ATOM 345 C PTH 1 76.12 68.45 38.21 0.00 0.00
346
+ ATOM 346 C PTH 1 76.12 69.45 37.21 0.00 0.00
347
+ ATOM 347 C PTH 1 76.12 69.45 38.21 0.00 0.00
348
+ ATOM 348 C PTH 1 76.12 69.45 39.21 0.00 0.00
349
+ ATOM 349 C PTH 1 76.12 69.45 40.21 0.00 0.00
350
+ ATOM 350 C PTH 1 76.12 70.45 37.21 0.00 0.00
351
+ ATOM 351 C PTH 1 76.12 70.45 38.21 0.00 0.00
352
+ ATOM 352 C PTH 1 76.12 70.45 39.21 0.00 0.00
353
+ ATOM 353 C PTH 1 76.12 70.45 40.21 0.00 0.00
354
+ ATOM 354 C PTH 1 76.12 70.45 41.21 0.00 0.00
355
+ ATOM 355 C PTH 1 76.12 70.45 42.21 0.00 0.00
356
+ ATOM 356 C PTH 1 76.12 70.45 43.21 0.00 0.00
357
+ ATOM 357 C PTH 1 76.12 70.45 44.21 0.00 0.00
358
+ ATOM 358 C PTH 1 76.12 70.45 45.21 0.00 0.00
359
+ ATOM 359 C PTH 1 76.12 71.45 38.21 0.00 0.00
360
+ ATOM 360 C PTH 1 76.12 71.45 39.21 0.00 0.00
361
+ ATOM 361 C PTH 1 76.12 71.45 40.21 0.00 0.00
362
+ ATOM 362 C PTH 1 76.12 71.45 41.21 0.00 0.00
363
+ ATOM 363 C PTH 1 76.12 71.45 42.21 0.00 0.00
364
+ ATOM 364 C PTH 1 76.12 71.45 43.21 0.00 0.00
365
+ ATOM 365 C PTH 1 76.12 71.45 44.21 0.00 0.00
366
+ ATOM 366 C PTH 1 76.12 71.45 45.21 0.00 0.00
367
+ ATOM 367 C PTH 1 76.12 72.45 38.21 0.00 0.00
368
+ ATOM 368 C PTH 1 76.12 72.45 39.21 0.00 0.00
369
+ ATOM 369 C PTH 1 76.12 72.45 40.21 0.00 0.00
370
+ ATOM 370 C PTH 1 76.12 72.45 41.21 0.00 0.00
371
+ ATOM 371 C PTH 1 76.12 72.45 42.21 0.00 0.00
372
+ ATOM 372 C PTH 1 76.12 72.45 43.21 0.00 0.00
373
+ ATOM 373 C PTH 1 76.12 72.45 44.21 0.00 0.00
374
+ ATOM 374 C PTH 1 76.12 73.45 38.21 0.00 0.00
375
+ ATOM 375 C PTH 1 76.12 73.45 39.21 0.00 0.00
376
+ ATOM 376 C PTH 1 76.12 73.45 40.21 0.00 0.00
377
+ ATOM 377 C PTH 1 76.12 73.45 41.21 0.00 0.00
378
+ ATOM 378 C PTH 1 76.12 73.45 42.21 0.00 0.00
379
+ ATOM 379 C PTH 1 76.12 73.45 43.21 0.00 0.00
380
+ ATOM 380 C PTH 1 76.12 73.45 44.21 0.00 0.00
381
+ ATOM 381 C PTH 1 76.12 74.45 37.21 0.00 0.00
382
+ ATOM 382 C PTH 1 76.12 74.45 38.21 0.00 0.00
383
+ ATOM 383 C PTH 1 76.12 74.45 39.21 0.00 0.00
384
+ ATOM 384 C PTH 1 76.12 74.45 40.21 0.00 0.00
385
+ ATOM 385 C PTH 1 76.12 74.45 41.21 0.00 0.00
386
+ ATOM 386 C PTH 1 76.12 74.45 42.21 0.00 0.00
387
+ ATOM 387 C PTH 1 76.12 74.45 43.21 0.00 0.00
388
+ ATOM 388 C PTH 1 76.12 75.45 37.21 0.00 0.00
389
+ ATOM 389 C PTH 1 77.12 71.45 42.21 0.00 0.00
390
+ ATOM 390 C PTH 1 77.12 71.45 43.21 0.00 0.00
391
+ ATOM 391 C PTH 1 77.12 72.45 42.21 0.00 0.00
data/files/A000P/pocket_02.pdb ADDED
@@ -0,0 +1,309 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 80.12 82.45 31.21 0.00 0.00
2
+ ATOM 2 C PTH 1 80.12 82.45 32.21 0.00 0.00
3
+ ATOM 3 C PTH 1 80.12 82.45 33.21 0.00 0.00
4
+ ATOM 4 C PTH 1 80.12 83.45 30.21 0.00 0.00
5
+ ATOM 5 C PTH 1 80.12 83.45 31.21 0.00 0.00
6
+ ATOM 6 C PTH 1 80.12 83.45 32.21 0.00 0.00
7
+ ATOM 7 C PTH 1 80.12 83.45 33.21 0.00 0.00
8
+ ATOM 8 C PTH 1 80.12 84.45 30.21 0.00 0.00
9
+ ATOM 9 C PTH 1 80.12 84.45 31.21 0.00 0.00
10
+ ATOM 10 C PTH 1 80.12 84.45 32.21 0.00 0.00
11
+ ATOM 11 C PTH 1 80.12 84.45 33.21 0.00 0.00
12
+ ATOM 12 C PTH 1 81.12 81.45 30.21 0.00 0.00
13
+ ATOM 13 C PTH 1 81.12 81.45 31.21 0.00 0.00
14
+ ATOM 14 C PTH 1 81.12 81.45 32.21 0.00 0.00
15
+ ATOM 15 C PTH 1 81.12 81.45 33.21 0.00 0.00
16
+ ATOM 16 C PTH 1 81.12 81.45 34.21 0.00 0.00
17
+ ATOM 17 C PTH 1 81.12 81.45 35.21 0.00 0.00
18
+ ATOM 18 C PTH 1 81.12 82.45 29.21 0.00 0.00
19
+ ATOM 19 C PTH 1 81.12 82.45 30.21 0.00 0.00
20
+ ATOM 20 C PTH 1 81.12 82.45 31.21 0.00 0.00
21
+ ATOM 21 C PTH 1 81.12 82.45 32.21 0.00 0.00
22
+ ATOM 22 C PTH 1 81.12 82.45 33.21 0.00 0.00
23
+ ATOM 23 C PTH 1 81.12 82.45 34.21 0.00 0.00
24
+ ATOM 24 C PTH 1 81.12 82.45 35.21 0.00 0.00
25
+ ATOM 25 C PTH 1 81.12 83.45 28.21 0.00 0.00
26
+ ATOM 26 C PTH 1 81.12 83.45 29.21 0.00 0.00
27
+ ATOM 27 C PTH 1 81.12 83.45 30.21 0.00 0.00
28
+ ATOM 28 C PTH 1 81.12 83.45 31.21 0.00 0.00
29
+ ATOM 29 C PTH 1 81.12 83.45 32.21 0.00 0.00
30
+ ATOM 30 C PTH 1 81.12 83.45 33.21 0.00 0.00
31
+ ATOM 31 C PTH 1 81.12 83.45 34.21 0.00 0.00
32
+ ATOM 32 C PTH 1 81.12 83.45 35.21 0.00 0.00
33
+ ATOM 33 C PTH 1 81.12 84.45 29.21 0.00 0.00
34
+ ATOM 34 C PTH 1 81.12 84.45 30.21 0.00 0.00
35
+ ATOM 35 C PTH 1 81.12 84.45 31.21 0.00 0.00
36
+ ATOM 36 C PTH 1 81.12 84.45 32.21 0.00 0.00
37
+ ATOM 37 C PTH 1 81.12 84.45 33.21 0.00 0.00
38
+ ATOM 38 C PTH 1 81.12 84.45 34.21 0.00 0.00
39
+ ATOM 39 C PTH 1 81.12 85.45 29.21 0.00 0.00
40
+ ATOM 40 C PTH 1 81.12 85.45 30.21 0.00 0.00
41
+ ATOM 41 C PTH 1 81.12 85.45 31.21 0.00 0.00
42
+ ATOM 42 C PTH 1 81.12 85.45 32.21 0.00 0.00
43
+ ATOM 43 C PTH 1 81.12 85.45 33.21 0.00 0.00
44
+ ATOM 44 C PTH 1 81.12 85.45 34.21 0.00 0.00
45
+ ATOM 45 C PTH 1 81.12 86.45 30.21 0.00 0.00
46
+ ATOM 46 C PTH 1 81.12 86.45 31.21 0.00 0.00
47
+ ATOM 47 C PTH 1 81.12 86.45 32.21 0.00 0.00
48
+ ATOM 48 C PTH 1 81.12 86.45 33.21 0.00 0.00
49
+ ATOM 49 C PTH 1 81.12 87.45 32.21 0.00 0.00
50
+ ATOM 50 C PTH 1 82.12 80.45 28.21 0.00 0.00
51
+ ATOM 51 C PTH 1 82.12 80.45 29.21 0.00 0.00
52
+ ATOM 52 C PTH 1 82.12 80.45 30.21 0.00 0.00
53
+ ATOM 53 C PTH 1 82.12 80.45 31.21 0.00 0.00
54
+ ATOM 54 C PTH 1 82.12 80.45 32.21 0.00 0.00
55
+ ATOM 55 C PTH 1 82.12 81.45 28.21 0.00 0.00
56
+ ATOM 56 C PTH 1 82.12 81.45 29.21 0.00 0.00
57
+ ATOM 57 C PTH 1 82.12 81.45 30.21 0.00 0.00
58
+ ATOM 58 C PTH 1 82.12 81.45 31.21 0.00 0.00
59
+ ATOM 59 C PTH 1 82.12 81.45 32.21 0.00 0.00
60
+ ATOM 60 C PTH 1 82.12 81.45 33.21 0.00 0.00
61
+ ATOM 61 C PTH 1 82.12 81.45 34.21 0.00 0.00
62
+ ATOM 62 C PTH 1 82.12 81.45 35.21 0.00 0.00
63
+ ATOM 63 C PTH 1 82.12 82.45 27.21 0.00 0.00
64
+ ATOM 64 C PTH 1 82.12 82.45 28.21 0.00 0.00
65
+ ATOM 65 C PTH 1 82.12 82.45 29.21 0.00 0.00
66
+ ATOM 66 C PTH 1 82.12 82.45 30.21 0.00 0.00
67
+ ATOM 67 C PTH 1 82.12 82.45 31.21 0.00 0.00
68
+ ATOM 68 C PTH 1 82.12 82.45 32.21 0.00 0.00
69
+ ATOM 69 C PTH 1 82.12 82.45 33.21 0.00 0.00
70
+ ATOM 70 C PTH 1 82.12 82.45 34.21 0.00 0.00
71
+ ATOM 71 C PTH 1 82.12 82.45 35.21 0.00 0.00
72
+ ATOM 72 C PTH 1 82.12 83.45 27.21 0.00 0.00
73
+ ATOM 73 C PTH 1 82.12 83.45 28.21 0.00 0.00
74
+ ATOM 74 C PTH 1 82.12 83.45 29.21 0.00 0.00
75
+ ATOM 75 C PTH 1 82.12 83.45 30.21 0.00 0.00
76
+ ATOM 76 C PTH 1 82.12 83.45 31.21 0.00 0.00
77
+ ATOM 77 C PTH 1 82.12 83.45 32.21 0.00 0.00
78
+ ATOM 78 C PTH 1 82.12 83.45 33.21 0.00 0.00
79
+ ATOM 79 C PTH 1 82.12 83.45 34.21 0.00 0.00
80
+ ATOM 80 C PTH 1 82.12 83.45 35.21 0.00 0.00
81
+ ATOM 81 C PTH 1 82.12 84.45 28.21 0.00 0.00
82
+ ATOM 82 C PTH 1 82.12 84.45 29.21 0.00 0.00
83
+ ATOM 83 C PTH 1 82.12 84.45 30.21 0.00 0.00
84
+ ATOM 84 C PTH 1 82.12 84.45 31.21 0.00 0.00
85
+ ATOM 85 C PTH 1 82.12 84.45 32.21 0.00 0.00
86
+ ATOM 86 C PTH 1 82.12 84.45 33.21 0.00 0.00
87
+ ATOM 87 C PTH 1 82.12 84.45 34.21 0.00 0.00
88
+ ATOM 88 C PTH 1 82.12 84.45 35.21 0.00 0.00
89
+ ATOM 89 C PTH 1 82.12 85.45 29.21 0.00 0.00
90
+ ATOM 90 C PTH 1 82.12 85.45 30.21 0.00 0.00
91
+ ATOM 91 C PTH 1 82.12 85.45 31.21 0.00 0.00
92
+ ATOM 92 C PTH 1 82.12 85.45 32.21 0.00 0.00
93
+ ATOM 93 C PTH 1 82.12 85.45 33.21 0.00 0.00
94
+ ATOM 94 C PTH 1 82.12 85.45 34.21 0.00 0.00
95
+ ATOM 95 C PTH 1 82.12 86.45 29.21 0.00 0.00
96
+ ATOM 96 C PTH 1 82.12 86.45 30.21 0.00 0.00
97
+ ATOM 97 C PTH 1 82.12 86.45 31.21 0.00 0.00
98
+ ATOM 98 C PTH 1 82.12 86.45 32.21 0.00 0.00
99
+ ATOM 99 C PTH 1 82.12 86.45 33.21 0.00 0.00
100
+ ATOM 100 C PTH 1 82.12 87.45 30.21 0.00 0.00
101
+ ATOM 101 C PTH 1 82.12 87.45 31.21 0.00 0.00
102
+ ATOM 102 C PTH 1 82.12 87.45 32.21 0.00 0.00
103
+ ATOM 103 C PTH 1 82.12 87.45 33.21 0.00 0.00
104
+ ATOM 104 C PTH 1 82.12 88.45 30.21 0.00 0.00
105
+ ATOM 105 C PTH 1 82.12 88.45 31.21 0.00 0.00
106
+ ATOM 106 C PTH 1 82.12 88.45 32.21 0.00 0.00
107
+ ATOM 107 C PTH 1 82.12 88.45 33.21 0.00 0.00
108
+ ATOM 108 C PTH 1 82.12 89.45 31.21 0.00 0.00
109
+ ATOM 109 C PTH 1 82.12 89.45 32.21 0.00 0.00
110
+ ATOM 110 C PTH 1 82.12 89.45 33.21 0.00 0.00
111
+ ATOM 111 C PTH 1 83.12 80.45 28.21 0.00 0.00
112
+ ATOM 112 C PTH 1 83.12 80.45 29.21 0.00 0.00
113
+ ATOM 113 C PTH 1 83.12 80.45 30.21 0.00 0.00
114
+ ATOM 114 C PTH 1 83.12 80.45 31.21 0.00 0.00
115
+ ATOM 115 C PTH 1 83.12 80.45 32.21 0.00 0.00
116
+ ATOM 116 C PTH 1 83.12 80.45 33.21 0.00 0.00
117
+ ATOM 117 C PTH 1 83.12 81.45 27.21 0.00 0.00
118
+ ATOM 118 C PTH 1 83.12 81.45 28.21 0.00 0.00
119
+ ATOM 119 C PTH 1 83.12 81.45 29.21 0.00 0.00
120
+ ATOM 120 C PTH 1 83.12 81.45 30.21 0.00 0.00
121
+ ATOM 121 C PTH 1 83.12 81.45 31.21 0.00 0.00
122
+ ATOM 122 C PTH 1 83.12 81.45 32.21 0.00 0.00
123
+ ATOM 123 C PTH 1 83.12 81.45 33.21 0.00 0.00
124
+ ATOM 124 C PTH 1 83.12 81.45 34.21 0.00 0.00
125
+ ATOM 125 C PTH 1 83.12 81.45 35.21 0.00 0.00
126
+ ATOM 126 C PTH 1 83.12 82.45 27.21 0.00 0.00
127
+ ATOM 127 C PTH 1 83.12 82.45 28.21 0.00 0.00
128
+ ATOM 128 C PTH 1 83.12 82.45 29.21 0.00 0.00
129
+ ATOM 129 C PTH 1 83.12 82.45 30.21 0.00 0.00
130
+ ATOM 130 C PTH 1 83.12 82.45 31.21 0.00 0.00
131
+ ATOM 131 C PTH 1 83.12 82.45 32.21 0.00 0.00
132
+ ATOM 132 C PTH 1 83.12 82.45 33.21 0.00 0.00
133
+ ATOM 133 C PTH 1 83.12 82.45 34.21 0.00 0.00
134
+ ATOM 134 C PTH 1 83.12 82.45 35.21 0.00 0.00
135
+ ATOM 135 C PTH 1 83.12 83.45 27.21 0.00 0.00
136
+ ATOM 136 C PTH 1 83.12 83.45 28.21 0.00 0.00
137
+ ATOM 137 C PTH 1 83.12 83.45 29.21 0.00 0.00
138
+ ATOM 138 C PTH 1 83.12 83.45 30.21 0.00 0.00
139
+ ATOM 139 C PTH 1 83.12 83.45 31.21 0.00 0.00
140
+ ATOM 140 C PTH 1 83.12 83.45 32.21 0.00 0.00
141
+ ATOM 141 C PTH 1 83.12 83.45 33.21 0.00 0.00
142
+ ATOM 142 C PTH 1 83.12 83.45 34.21 0.00 0.00
143
+ ATOM 143 C PTH 1 83.12 83.45 35.21 0.00 0.00
144
+ ATOM 144 C PTH 1 83.12 83.45 36.21 0.00 0.00
145
+ ATOM 145 C PTH 1 83.12 84.45 29.21 0.00 0.00
146
+ ATOM 146 C PTH 1 83.12 84.45 30.21 0.00 0.00
147
+ ATOM 147 C PTH 1 83.12 84.45 31.21 0.00 0.00
148
+ ATOM 148 C PTH 1 83.12 84.45 32.21 0.00 0.00
149
+ ATOM 149 C PTH 1 83.12 84.45 33.21 0.00 0.00
150
+ ATOM 150 C PTH 1 83.12 84.45 34.21 0.00 0.00
151
+ ATOM 151 C PTH 1 83.12 84.45 35.21 0.00 0.00
152
+ ATOM 152 C PTH 1 83.12 85.45 29.21 0.00 0.00
153
+ ATOM 153 C PTH 1 83.12 85.45 30.21 0.00 0.00
154
+ ATOM 154 C PTH 1 83.12 85.45 31.21 0.00 0.00
155
+ ATOM 155 C PTH 1 83.12 85.45 32.21 0.00 0.00
156
+ ATOM 156 C PTH 1 83.12 85.45 33.21 0.00 0.00
157
+ ATOM 157 C PTH 1 83.12 85.45 34.21 0.00 0.00
158
+ ATOM 158 C PTH 1 83.12 86.45 29.21 0.00 0.00
159
+ ATOM 159 C PTH 1 83.12 86.45 30.21 0.00 0.00
160
+ ATOM 160 C PTH 1 83.12 86.45 31.21 0.00 0.00
161
+ ATOM 161 C PTH 1 83.12 86.45 32.21 0.00 0.00
162
+ ATOM 162 C PTH 1 83.12 86.45 33.21 0.00 0.00
163
+ ATOM 163 C PTH 1 83.12 87.45 29.21 0.00 0.00
164
+ ATOM 164 C PTH 1 83.12 87.45 30.21 0.00 0.00
165
+ ATOM 165 C PTH 1 83.12 87.45 31.21 0.00 0.00
166
+ ATOM 166 C PTH 1 83.12 87.45 32.21 0.00 0.00
167
+ ATOM 167 C PTH 1 83.12 87.45 33.21 0.00 0.00
168
+ ATOM 168 C PTH 1 83.12 88.45 30.21 0.00 0.00
169
+ ATOM 169 C PTH 1 83.12 88.45 31.21 0.00 0.00
170
+ ATOM 170 C PTH 1 83.12 88.45 32.21 0.00 0.00
171
+ ATOM 171 C PTH 1 83.12 88.45 33.21 0.00 0.00
172
+ ATOM 172 C PTH 1 83.12 89.45 30.21 0.00 0.00
173
+ ATOM 173 C PTH 1 83.12 89.45 31.21 0.00 0.00
174
+ ATOM 174 C PTH 1 83.12 89.45 32.21 0.00 0.00
175
+ ATOM 175 C PTH 1 83.12 89.45 33.21 0.00 0.00
176
+ ATOM 176 C PTH 1 84.12 79.45 30.21 0.00 0.00
177
+ ATOM 177 C PTH 1 84.12 79.45 31.21 0.00 0.00
178
+ ATOM 178 C PTH 1 84.12 80.45 28.21 0.00 0.00
179
+ ATOM 179 C PTH 1 84.12 80.45 29.21 0.00 0.00
180
+ ATOM 180 C PTH 1 84.12 80.45 30.21 0.00 0.00
181
+ ATOM 181 C PTH 1 84.12 80.45 31.21 0.00 0.00
182
+ ATOM 182 C PTH 1 84.12 80.45 32.21 0.00 0.00
183
+ ATOM 183 C PTH 1 84.12 80.45 33.21 0.00 0.00
184
+ ATOM 184 C PTH 1 84.12 81.45 27.21 0.00 0.00
185
+ ATOM 185 C PTH 1 84.12 81.45 28.21 0.00 0.00
186
+ ATOM 186 C PTH 1 84.12 81.45 29.21 0.00 0.00
187
+ ATOM 187 C PTH 1 84.12 81.45 30.21 0.00 0.00
188
+ ATOM 188 C PTH 1 84.12 81.45 31.21 0.00 0.00
189
+ ATOM 189 C PTH 1 84.12 81.45 32.21 0.00 0.00
190
+ ATOM 190 C PTH 1 84.12 81.45 33.21 0.00 0.00
191
+ ATOM 191 C PTH 1 84.12 81.45 34.21 0.00 0.00
192
+ ATOM 192 C PTH 1 84.12 81.45 35.21 0.00 0.00
193
+ ATOM 193 C PTH 1 84.12 82.45 27.21 0.00 0.00
194
+ ATOM 194 C PTH 1 84.12 82.45 28.21 0.00 0.00
195
+ ATOM 195 C PTH 1 84.12 82.45 29.21 0.00 0.00
196
+ ATOM 196 C PTH 1 84.12 82.45 30.21 0.00 0.00
197
+ ATOM 197 C PTH 1 84.12 82.45 31.21 0.00 0.00
198
+ ATOM 198 C PTH 1 84.12 82.45 32.21 0.00 0.00
199
+ ATOM 199 C PTH 1 84.12 82.45 33.21 0.00 0.00
200
+ ATOM 200 C PTH 1 84.12 82.45 34.21 0.00 0.00
201
+ ATOM 201 C PTH 1 84.12 82.45 35.21 0.00 0.00
202
+ ATOM 202 C PTH 1 84.12 82.45 36.21 0.00 0.00
203
+ ATOM 203 C PTH 1 84.12 83.45 27.21 0.00 0.00
204
+ ATOM 204 C PTH 1 84.12 83.45 28.21 0.00 0.00
205
+ ATOM 205 C PTH 1 84.12 83.45 29.21 0.00 0.00
206
+ ATOM 206 C PTH 1 84.12 83.45 30.21 0.00 0.00
207
+ ATOM 207 C PTH 1 84.12 83.45 31.21 0.00 0.00
208
+ ATOM 208 C PTH 1 84.12 83.45 32.21 0.00 0.00
209
+ ATOM 209 C PTH 1 84.12 83.45 33.21 0.00 0.00
210
+ ATOM 210 C PTH 1 84.12 83.45 34.21 0.00 0.00
211
+ ATOM 211 C PTH 1 84.12 83.45 35.21 0.00 0.00
212
+ ATOM 212 C PTH 1 84.12 83.45 36.21 0.00 0.00
213
+ ATOM 213 C PTH 1 84.12 84.45 29.21 0.00 0.00
214
+ ATOM 214 C PTH 1 84.12 84.45 30.21 0.00 0.00
215
+ ATOM 215 C PTH 1 84.12 84.45 31.21 0.00 0.00
216
+ ATOM 216 C PTH 1 84.12 84.45 32.21 0.00 0.00
217
+ ATOM 217 C PTH 1 84.12 84.45 33.21 0.00 0.00
218
+ ATOM 218 C PTH 1 84.12 84.45 34.21 0.00 0.00
219
+ ATOM 219 C PTH 1 84.12 84.45 35.21 0.00 0.00
220
+ ATOM 220 C PTH 1 84.12 85.45 29.21 0.00 0.00
221
+ ATOM 221 C PTH 1 84.12 85.45 30.21 0.00 0.00
222
+ ATOM 222 C PTH 1 84.12 85.45 31.21 0.00 0.00
223
+ ATOM 223 C PTH 1 84.12 85.45 32.21 0.00 0.00
224
+ ATOM 224 C PTH 1 84.12 85.45 33.21 0.00 0.00
225
+ ATOM 225 C PTH 1 84.12 85.45 34.21 0.00 0.00
226
+ ATOM 226 C PTH 1 84.12 86.45 29.21 0.00 0.00
227
+ ATOM 227 C PTH 1 84.12 86.45 30.21 0.00 0.00
228
+ ATOM 228 C PTH 1 84.12 86.45 31.21 0.00 0.00
229
+ ATOM 229 C PTH 1 84.12 86.45 32.21 0.00 0.00
230
+ ATOM 230 C PTH 1 84.12 86.45 33.21 0.00 0.00
231
+ ATOM 231 C PTH 1 84.12 87.45 29.21 0.00 0.00
232
+ ATOM 232 C PTH 1 84.12 87.45 30.21 0.00 0.00
233
+ ATOM 233 C PTH 1 84.12 87.45 31.21 0.00 0.00
234
+ ATOM 234 C PTH 1 84.12 87.45 32.21 0.00 0.00
235
+ ATOM 235 C PTH 1 84.12 87.45 33.21 0.00 0.00
236
+ ATOM 236 C PTH 1 84.12 88.45 29.21 0.00 0.00
237
+ ATOM 237 C PTH 1 84.12 88.45 30.21 0.00 0.00
238
+ ATOM 238 C PTH 1 84.12 88.45 31.21 0.00 0.00
239
+ ATOM 239 C PTH 1 84.12 88.45 32.21 0.00 0.00
240
+ ATOM 240 C PTH 1 84.12 89.45 30.21 0.00 0.00
241
+ ATOM 241 C PTH 1 84.12 89.45 31.21 0.00 0.00
242
+ ATOM 242 C PTH 1 84.12 89.45 32.21 0.00 0.00
243
+ ATOM 243 C PTH 1 85.12 79.45 30.21 0.00 0.00
244
+ ATOM 244 C PTH 1 85.12 79.45 31.21 0.00 0.00
245
+ ATOM 245 C PTH 1 85.12 79.45 32.21 0.00 0.00
246
+ ATOM 246 C PTH 1 85.12 80.45 29.21 0.00 0.00
247
+ ATOM 247 C PTH 1 85.12 80.45 30.21 0.00 0.00
248
+ ATOM 248 C PTH 1 85.12 80.45 31.21 0.00 0.00
249
+ ATOM 249 C PTH 1 85.12 80.45 32.21 0.00 0.00
250
+ ATOM 250 C PTH 1 85.12 80.45 33.21 0.00 0.00
251
+ ATOM 251 C PTH 1 85.12 81.45 28.21 0.00 0.00
252
+ ATOM 252 C PTH 1 85.12 81.45 29.21 0.00 0.00
253
+ ATOM 253 C PTH 1 85.12 81.45 30.21 0.00 0.00
254
+ ATOM 254 C PTH 1 85.12 81.45 31.21 0.00 0.00
255
+ ATOM 255 C PTH 1 85.12 81.45 32.21 0.00 0.00
256
+ ATOM 256 C PTH 1 85.12 81.45 33.21 0.00 0.00
257
+ ATOM 257 C PTH 1 85.12 81.45 34.21 0.00 0.00
258
+ ATOM 258 C PTH 1 85.12 81.45 35.21 0.00 0.00
259
+ ATOM 259 C PTH 1 85.12 82.45 28.21 0.00 0.00
260
+ ATOM 260 C PTH 1 85.12 82.45 29.21 0.00 0.00
261
+ ATOM 261 C PTH 1 85.12 82.45 30.21 0.00 0.00
262
+ ATOM 262 C PTH 1 85.12 82.45 31.21 0.00 0.00
263
+ ATOM 263 C PTH 1 85.12 82.45 32.21 0.00 0.00
264
+ ATOM 264 C PTH 1 85.12 82.45 33.21 0.00 0.00
265
+ ATOM 265 C PTH 1 85.12 82.45 34.21 0.00 0.00
266
+ ATOM 266 C PTH 1 85.12 82.45 35.21 0.00 0.00
267
+ ATOM 267 C PTH 1 85.12 83.45 28.21 0.00 0.00
268
+ ATOM 268 C PTH 1 85.12 83.45 29.21 0.00 0.00
269
+ ATOM 269 C PTH 1 85.12 83.45 30.21 0.00 0.00
270
+ ATOM 270 C PTH 1 85.12 83.45 31.21 0.00 0.00
271
+ ATOM 271 C PTH 1 85.12 83.45 32.21 0.00 0.00
272
+ ATOM 272 C PTH 1 85.12 83.45 33.21 0.00 0.00
273
+ ATOM 273 C PTH 1 85.12 83.45 34.21 0.00 0.00
274
+ ATOM 274 C PTH 1 85.12 83.45 35.21 0.00 0.00
275
+ ATOM 275 C PTH 1 85.12 84.45 29.21 0.00 0.00
276
+ ATOM 276 C PTH 1 85.12 84.45 30.21 0.00 0.00
277
+ ATOM 277 C PTH 1 85.12 84.45 31.21 0.00 0.00
278
+ ATOM 278 C PTH 1 85.12 84.45 32.21 0.00 0.00
279
+ ATOM 279 C PTH 1 85.12 84.45 33.21 0.00 0.00
280
+ ATOM 280 C PTH 1 85.12 84.45 34.21 0.00 0.00
281
+ ATOM 281 C PTH 1 85.12 84.45 35.21 0.00 0.00
282
+ ATOM 282 C PTH 1 85.12 85.45 29.21 0.00 0.00
283
+ ATOM 283 C PTH 1 85.12 85.45 30.21 0.00 0.00
284
+ ATOM 284 C PTH 1 85.12 85.45 31.21 0.00 0.00
285
+ ATOM 285 C PTH 1 85.12 85.45 32.21 0.00 0.00
286
+ ATOM 286 C PTH 1 85.12 86.45 30.21 0.00 0.00
287
+ ATOM 287 C PTH 1 85.12 86.45 31.21 0.00 0.00
288
+ ATOM 288 C PTH 1 85.12 86.45 32.21 0.00 0.00
289
+ ATOM 289 C PTH 1 85.12 87.45 30.21 0.00 0.00
290
+ ATOM 290 C PTH 1 85.12 87.45 31.21 0.00 0.00
291
+ ATOM 291 C PTH 1 85.12 88.45 30.21 0.00 0.00
292
+ ATOM 292 C PTH 1 85.12 88.45 31.21 0.00 0.00
293
+ ATOM 293 C PTH 1 85.12 89.45 30.21 0.00 0.00
294
+ ATOM 294 C PTH 1 85.12 89.45 31.21 0.00 0.00
295
+ ATOM 295 C PTH 1 86.12 80.45 32.21 0.00 0.00
296
+ ATOM 296 C PTH 1 86.12 81.45 32.21 0.00 0.00
297
+ ATOM 297 C PTH 1 86.12 81.45 33.21 0.00 0.00
298
+ ATOM 298 C PTH 1 86.12 81.45 34.21 0.00 0.00
299
+ ATOM 299 C PTH 1 86.12 81.45 35.21 0.00 0.00
300
+ ATOM 300 C PTH 1 86.12 82.45 32.21 0.00 0.00
301
+ ATOM 301 C PTH 1 86.12 82.45 33.21 0.00 0.00
302
+ ATOM 302 C PTH 1 86.12 82.45 34.21 0.00 0.00
303
+ ATOM 303 C PTH 1 86.12 82.45 35.21 0.00 0.00
304
+ ATOM 304 C PTH 1 86.12 83.45 32.21 0.00 0.00
305
+ ATOM 305 C PTH 1 86.12 83.45 33.21 0.00 0.00
306
+ ATOM 306 C PTH 1 86.12 83.45 34.21 0.00 0.00
307
+ ATOM 307 C PTH 1 87.12 80.45 34.21 0.00 0.00
308
+ ATOM 308 C PTH 1 87.12 81.45 34.21 0.00 0.00
309
+ ATOM 309 C PTH 1 87.12 81.45 35.21 0.00 0.00
data/files/A000P/pocket_03.pdb ADDED
@@ -0,0 +1,85 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 59.12 99.45 38.21 0.00 0.00
2
+ ATOM 2 C PTH 1 59.12 100.45 38.21 0.00 0.00
3
+ ATOM 3 C PTH 1 60.12 98.45 38.21 0.00 0.00
4
+ ATOM 4 C PTH 1 60.12 98.45 39.21 0.00 0.00
5
+ ATOM 5 C PTH 1 60.12 98.45 40.21 0.00 0.00
6
+ ATOM 6 C PTH 1 60.12 99.45 37.21 0.00 0.00
7
+ ATOM 7 C PTH 1 60.12 99.45 38.21 0.00 0.00
8
+ ATOM 8 C PTH 1 60.12 99.45 39.21 0.00 0.00
9
+ ATOM 9 C PTH 1 60.12 99.45 40.21 0.00 0.00
10
+ ATOM 10 C PTH 1 60.12 100.45 37.21 0.00 0.00
11
+ ATOM 11 C PTH 1 60.12 100.45 38.21 0.00 0.00
12
+ ATOM 12 C PTH 1 60.12 100.45 39.21 0.00 0.00
13
+ ATOM 13 C PTH 1 60.12 101.45 37.21 0.00 0.00
14
+ ATOM 14 C PTH 1 60.12 101.45 38.21 0.00 0.00
15
+ ATOM 15 C PTH 1 60.12 101.45 39.21 0.00 0.00
16
+ ATOM 16 C PTH 1 61.12 97.45 38.21 0.00 0.00
17
+ ATOM 17 C PTH 1 61.12 97.45 39.21 0.00 0.00
18
+ ATOM 18 C PTH 1 61.12 98.45 37.21 0.00 0.00
19
+ ATOM 19 C PTH 1 61.12 98.45 38.21 0.00 0.00
20
+ ATOM 20 C PTH 1 61.12 98.45 39.21 0.00 0.00
21
+ ATOM 21 C PTH 1 61.12 98.45 40.21 0.00 0.00
22
+ ATOM 22 C PTH 1 61.12 99.45 36.21 0.00 0.00
23
+ ATOM 23 C PTH 1 61.12 99.45 37.21 0.00 0.00
24
+ ATOM 24 C PTH 1 61.12 99.45 38.21 0.00 0.00
25
+ ATOM 25 C PTH 1 61.12 99.45 39.21 0.00 0.00
26
+ ATOM 26 C PTH 1 61.12 99.45 40.21 0.00 0.00
27
+ ATOM 27 C PTH 1 61.12 100.45 36.21 0.00 0.00
28
+ ATOM 28 C PTH 1 61.12 100.45 37.21 0.00 0.00
29
+ ATOM 29 C PTH 1 61.12 100.45 38.21 0.00 0.00
30
+ ATOM 30 C PTH 1 61.12 100.45 39.21 0.00 0.00
31
+ ATOM 31 C PTH 1 61.12 101.45 36.21 0.00 0.00
32
+ ATOM 32 C PTH 1 61.12 101.45 37.21 0.00 0.00
33
+ ATOM 33 C PTH 1 61.12 101.45 38.21 0.00 0.00
34
+ ATOM 34 C PTH 1 61.12 101.45 39.21 0.00 0.00
35
+ ATOM 35 C PTH 1 61.12 102.45 36.21 0.00 0.00
36
+ ATOM 36 C PTH 1 61.12 102.45 37.21 0.00 0.00
37
+ ATOM 37 C PTH 1 62.12 97.45 37.21 0.00 0.00
38
+ ATOM 38 C PTH 1 62.12 97.45 38.21 0.00 0.00
39
+ ATOM 39 C PTH 1 62.12 97.45 39.21 0.00 0.00
40
+ ATOM 40 C PTH 1 62.12 98.45 37.21 0.00 0.00
41
+ ATOM 41 C PTH 1 62.12 98.45 38.21 0.00 0.00
42
+ ATOM 42 C PTH 1 62.12 98.45 39.21 0.00 0.00
43
+ ATOM 43 C PTH 1 62.12 99.45 37.21 0.00 0.00
44
+ ATOM 44 C PTH 1 62.12 99.45 38.21 0.00 0.00
45
+ ATOM 45 C PTH 1 62.12 99.45 39.21 0.00 0.00
46
+ ATOM 46 C PTH 1 62.12 99.45 40.21 0.00 0.00
47
+ ATOM 47 C PTH 1 62.12 100.45 36.21 0.00 0.00
48
+ ATOM 48 C PTH 1 62.12 100.45 37.21 0.00 0.00
49
+ ATOM 49 C PTH 1 62.12 100.45 38.21 0.00 0.00
50
+ ATOM 50 C PTH 1 62.12 100.45 39.21 0.00 0.00
51
+ ATOM 51 C PTH 1 62.12 100.45 40.21 0.00 0.00
52
+ ATOM 52 C PTH 1 62.12 101.45 36.21 0.00 0.00
53
+ ATOM 53 C PTH 1 62.12 101.45 37.21 0.00 0.00
54
+ ATOM 54 C PTH 1 62.12 101.45 38.21 0.00 0.00
55
+ ATOM 55 C PTH 1 62.12 101.45 39.21 0.00 0.00
56
+ ATOM 56 C PTH 1 62.12 101.45 40.21 0.00 0.00
57
+ ATOM 57 C PTH 1 62.12 102.45 37.21 0.00 0.00
58
+ ATOM 58 C PTH 1 62.12 102.45 38.21 0.00 0.00
59
+ ATOM 59 C PTH 1 63.12 97.45 37.21 0.00 0.00
60
+ ATOM 60 C PTH 1 63.12 97.45 38.21 0.00 0.00
61
+ ATOM 61 C PTH 1 63.12 98.45 37.21 0.00 0.00
62
+ ATOM 62 C PTH 1 63.12 98.45 38.21 0.00 0.00
63
+ ATOM 63 C PTH 1 63.12 98.45 39.21 0.00 0.00
64
+ ATOM 64 C PTH 1 63.12 99.45 37.21 0.00 0.00
65
+ ATOM 65 C PTH 1 63.12 99.45 38.21 0.00 0.00
66
+ ATOM 66 C PTH 1 63.12 99.45 39.21 0.00 0.00
67
+ ATOM 67 C PTH 1 63.12 99.45 40.21 0.00 0.00
68
+ ATOM 68 C PTH 1 63.12 100.45 37.21 0.00 0.00
69
+ ATOM 69 C PTH 1 63.12 100.45 38.21 0.00 0.00
70
+ ATOM 70 C PTH 1 63.12 100.45 39.21 0.00 0.00
71
+ ATOM 71 C PTH 1 63.12 100.45 40.21 0.00 0.00
72
+ ATOM 72 C PTH 1 63.12 101.45 38.21 0.00 0.00
73
+ ATOM 73 C PTH 1 63.12 101.45 39.21 0.00 0.00
74
+ ATOM 74 C PTH 1 63.12 101.45 40.21 0.00 0.00
75
+ ATOM 75 C PTH 1 64.12 98.45 37.21 0.00 0.00
76
+ ATOM 76 C PTH 1 64.12 98.45 38.21 0.00 0.00
77
+ ATOM 77 C PTH 1 64.12 98.45 39.21 0.00 0.00
78
+ ATOM 78 C PTH 1 64.12 99.45 38.21 0.00 0.00
79
+ ATOM 79 C PTH 1 64.12 99.45 39.21 0.00 0.00
80
+ ATOM 80 C PTH 1 64.12 99.45 40.21 0.00 0.00
81
+ ATOM 81 C PTH 1 64.12 100.45 38.21 0.00 0.00
82
+ ATOM 82 C PTH 1 64.12 100.45 39.21 0.00 0.00
83
+ ATOM 83 C PTH 1 64.12 100.45 40.21 0.00 0.00
84
+ ATOM 84 C PTH 1 64.12 101.45 39.21 0.00 0.00
85
+ ATOM 85 C PTH 1 64.12 101.45 40.21 0.00 0.00
data/files/A000P/pocket_04.pdb ADDED
@@ -0,0 +1,74 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 67.12 61.45 23.21 0.00 0.00
2
+ ATOM 2 C PTH 1 67.12 62.45 22.21 0.00 0.00
3
+ ATOM 3 C PTH 1 67.12 62.45 23.21 0.00 0.00
4
+ ATOM 4 C PTH 1 67.12 62.45 24.21 0.00 0.00
5
+ ATOM 5 C PTH 1 67.12 63.45 22.21 0.00 0.00
6
+ ATOM 6 C PTH 1 67.12 63.45 23.21 0.00 0.00
7
+ ATOM 7 C PTH 1 67.12 63.45 24.21 0.00 0.00
8
+ ATOM 8 C PTH 1 67.12 64.45 22.21 0.00 0.00
9
+ ATOM 9 C PTH 1 67.12 64.45 23.21 0.00 0.00
10
+ ATOM 10 C PTH 1 68.12 61.45 22.21 0.00 0.00
11
+ ATOM 11 C PTH 1 68.12 61.45 23.21 0.00 0.00
12
+ ATOM 12 C PTH 1 68.12 62.45 21.21 0.00 0.00
13
+ ATOM 13 C PTH 1 68.12 62.45 22.21 0.00 0.00
14
+ ATOM 14 C PTH 1 68.12 62.45 23.21 0.00 0.00
15
+ ATOM 15 C PTH 1 68.12 62.45 24.21 0.00 0.00
16
+ ATOM 16 C PTH 1 68.12 63.45 21.21 0.00 0.00
17
+ ATOM 17 C PTH 1 68.12 63.45 22.21 0.00 0.00
18
+ ATOM 18 C PTH 1 68.12 63.45 23.21 0.00 0.00
19
+ ATOM 19 C PTH 1 68.12 63.45 24.21 0.00 0.00
20
+ ATOM 20 C PTH 1 68.12 64.45 21.21 0.00 0.00
21
+ ATOM 21 C PTH 1 68.12 64.45 22.21 0.00 0.00
22
+ ATOM 22 C PTH 1 68.12 64.45 23.21 0.00 0.00
23
+ ATOM 23 C PTH 1 68.12 64.45 24.21 0.00 0.00
24
+ ATOM 24 C PTH 1 68.12 65.45 22.21 0.00 0.00
25
+ ATOM 25 C PTH 1 68.12 65.45 23.21 0.00 0.00
26
+ ATOM 26 C PTH 1 69.12 61.45 21.21 0.00 0.00
27
+ ATOM 27 C PTH 1 69.12 61.45 22.21 0.00 0.00
28
+ ATOM 28 C PTH 1 69.12 61.45 23.21 0.00 0.00
29
+ ATOM 29 C PTH 1 69.12 62.45 20.21 0.00 0.00
30
+ ATOM 30 C PTH 1 69.12 62.45 21.21 0.00 0.00
31
+ ATOM 31 C PTH 1 69.12 62.45 22.21 0.00 0.00
32
+ ATOM 32 C PTH 1 69.12 62.45 23.21 0.00 0.00
33
+ ATOM 33 C PTH 1 69.12 62.45 24.21 0.00 0.00
34
+ ATOM 34 C PTH 1 69.12 63.45 20.21 0.00 0.00
35
+ ATOM 35 C PTH 1 69.12 63.45 21.21 0.00 0.00
36
+ ATOM 36 C PTH 1 69.12 63.45 22.21 0.00 0.00
37
+ ATOM 37 C PTH 1 69.12 63.45 23.21 0.00 0.00
38
+ ATOM 38 C PTH 1 69.12 63.45 24.21 0.00 0.00
39
+ ATOM 39 C PTH 1 69.12 64.45 20.21 0.00 0.00
40
+ ATOM 40 C PTH 1 69.12 64.45 21.21 0.00 0.00
41
+ ATOM 41 C PTH 1 69.12 64.45 22.21 0.00 0.00
42
+ ATOM 42 C PTH 1 69.12 64.45 23.21 0.00 0.00
43
+ ATOM 43 C PTH 1 69.12 64.45 24.21 0.00 0.00
44
+ ATOM 44 C PTH 1 69.12 65.45 21.21 0.00 0.00
45
+ ATOM 45 C PTH 1 69.12 65.45 22.21 0.00 0.00
46
+ ATOM 46 C PTH 1 69.12 65.45 23.21 0.00 0.00
47
+ ATOM 47 C PTH 1 70.12 62.45 20.21 0.00 0.00
48
+ ATOM 48 C PTH 1 70.12 62.45 21.21 0.00 0.00
49
+ ATOM 49 C PTH 1 70.12 62.45 22.21 0.00 0.00
50
+ ATOM 50 C PTH 1 70.12 62.45 23.21 0.00 0.00
51
+ ATOM 51 C PTH 1 70.12 63.45 20.21 0.00 0.00
52
+ ATOM 52 C PTH 1 70.12 63.45 21.21 0.00 0.00
53
+ ATOM 53 C PTH 1 70.12 63.45 22.21 0.00 0.00
54
+ ATOM 54 C PTH 1 70.12 63.45 23.21 0.00 0.00
55
+ ATOM 55 C PTH 1 70.12 63.45 24.21 0.00 0.00
56
+ ATOM 56 C PTH 1 70.12 64.45 20.21 0.00 0.00
57
+ ATOM 57 C PTH 1 70.12 64.45 21.21 0.00 0.00
58
+ ATOM 58 C PTH 1 70.12 64.45 22.21 0.00 0.00
59
+ ATOM 59 C PTH 1 70.12 64.45 23.21 0.00 0.00
60
+ ATOM 60 C PTH 1 70.12 64.45 24.21 0.00 0.00
61
+ ATOM 61 C PTH 1 70.12 65.45 20.21 0.00 0.00
62
+ ATOM 62 C PTH 1 70.12 65.45 21.21 0.00 0.00
63
+ ATOM 63 C PTH 1 70.12 65.45 22.21 0.00 0.00
64
+ ATOM 64 C PTH 1 70.12 65.45 23.21 0.00 0.00
65
+ ATOM 65 C PTH 1 71.12 62.45 21.21 0.00 0.00
66
+ ATOM 66 C PTH 1 71.12 63.45 20.21 0.00 0.00
67
+ ATOM 67 C PTH 1 71.12 63.45 21.21 0.00 0.00
68
+ ATOM 68 C PTH 1 71.12 63.45 22.21 0.00 0.00
69
+ ATOM 69 C PTH 1 71.12 64.45 20.21 0.00 0.00
70
+ ATOM 70 C PTH 1 71.12 64.45 21.21 0.00 0.00
71
+ ATOM 71 C PTH 1 71.12 64.45 22.21 0.00 0.00
72
+ ATOM 72 C PTH 1 71.12 65.45 20.21 0.00 0.00
73
+ ATOM 73 C PTH 1 71.12 65.45 21.21 0.00 0.00
74
+ ATOM 74 C PTH 1 71.12 65.45 22.21 0.00 0.00
data/files/A000P/pocket_05.pdb ADDED
@@ -0,0 +1,58 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 89.12 66.45 58.21 0.00 0.00
2
+ ATOM 2 C PTH 1 89.12 66.45 59.21 0.00 0.00
3
+ ATOM 3 C PTH 1 89.12 67.45 57.21 0.00 0.00
4
+ ATOM 4 C PTH 1 89.12 67.45 58.21 0.00 0.00
5
+ ATOM 5 C PTH 1 89.12 67.45 59.21 0.00 0.00
6
+ ATOM 6 C PTH 1 90.12 66.45 58.21 0.00 0.00
7
+ ATOM 7 C PTH 1 90.12 66.45 59.21 0.00 0.00
8
+ ATOM 8 C PTH 1 90.12 67.45 56.21 0.00 0.00
9
+ ATOM 9 C PTH 1 90.12 67.45 57.21 0.00 0.00
10
+ ATOM 10 C PTH 1 90.12 67.45 58.21 0.00 0.00
11
+ ATOM 11 C PTH 1 90.12 67.45 59.21 0.00 0.00
12
+ ATOM 12 C PTH 1 90.12 68.45 56.21 0.00 0.00
13
+ ATOM 13 C PTH 1 90.12 68.45 57.21 0.00 0.00
14
+ ATOM 14 C PTH 1 90.12 68.45 58.21 0.00 0.00
15
+ ATOM 15 C PTH 1 90.12 68.45 59.21 0.00 0.00
16
+ ATOM 16 C PTH 1 90.12 69.45 56.21 0.00 0.00
17
+ ATOM 17 C PTH 1 90.12 69.45 57.21 0.00 0.00
18
+ ATOM 18 C PTH 1 90.12 69.45 58.21 0.00 0.00
19
+ ATOM 19 C PTH 1 90.12 69.45 59.21 0.00 0.00
20
+ ATOM 20 C PTH 1 91.12 66.45 58.21 0.00 0.00
21
+ ATOM 21 C PTH 1 91.12 66.45 59.21 0.00 0.00
22
+ ATOM 22 C PTH 1 91.12 67.45 56.21 0.00 0.00
23
+ ATOM 23 C PTH 1 91.12 67.45 57.21 0.00 0.00
24
+ ATOM 24 C PTH 1 91.12 67.45 58.21 0.00 0.00
25
+ ATOM 25 C PTH 1 91.12 67.45 59.21 0.00 0.00
26
+ ATOM 26 C PTH 1 91.12 68.45 56.21 0.00 0.00
27
+ ATOM 27 C PTH 1 91.12 68.45 57.21 0.00 0.00
28
+ ATOM 28 C PTH 1 91.12 68.45 58.21 0.00 0.00
29
+ ATOM 29 C PTH 1 91.12 68.45 59.21 0.00 0.00
30
+ ATOM 30 C PTH 1 91.12 69.45 56.21 0.00 0.00
31
+ ATOM 31 C PTH 1 91.12 69.45 57.21 0.00 0.00
32
+ ATOM 32 C PTH 1 91.12 69.45 58.21 0.00 0.00
33
+ ATOM 33 C PTH 1 91.12 69.45 59.21 0.00 0.00
34
+ ATOM 34 C PTH 1 91.12 70.45 57.21 0.00 0.00
35
+ ATOM 35 C PTH 1 91.12 70.45 58.21 0.00 0.00
36
+ ATOM 36 C PTH 1 92.12 67.45 56.21 0.00 0.00
37
+ ATOM 37 C PTH 1 92.12 67.45 57.21 0.00 0.00
38
+ ATOM 38 C PTH 1 92.12 67.45 58.21 0.00 0.00
39
+ ATOM 39 C PTH 1 92.12 67.45 59.21 0.00 0.00
40
+ ATOM 40 C PTH 1 92.12 68.45 56.21 0.00 0.00
41
+ ATOM 41 C PTH 1 92.12 68.45 57.21 0.00 0.00
42
+ ATOM 42 C PTH 1 92.12 68.45 58.21 0.00 0.00
43
+ ATOM 43 C PTH 1 92.12 68.45 59.21 0.00 0.00
44
+ ATOM 44 C PTH 1 92.12 69.45 56.21 0.00 0.00
45
+ ATOM 45 C PTH 1 92.12 69.45 57.21 0.00 0.00
46
+ ATOM 46 C PTH 1 92.12 69.45 58.21 0.00 0.00
47
+ ATOM 47 C PTH 1 92.12 69.45 59.21 0.00 0.00
48
+ ATOM 48 C PTH 1 92.12 70.45 57.21 0.00 0.00
49
+ ATOM 49 C PTH 1 92.12 70.45 58.21 0.00 0.00
50
+ ATOM 50 C PTH 1 93.12 67.45 57.21 0.00 0.00
51
+ ATOM 51 C PTH 1 93.12 67.45 58.21 0.00 0.00
52
+ ATOM 52 C PTH 1 93.12 68.45 56.21 0.00 0.00
53
+ ATOM 53 C PTH 1 93.12 68.45 57.21 0.00 0.00
54
+ ATOM 54 C PTH 1 93.12 68.45 58.21 0.00 0.00
55
+ ATOM 55 C PTH 1 93.12 68.45 59.21 0.00 0.00
56
+ ATOM 56 C PTH 1 93.12 69.45 56.21 0.00 0.00
57
+ ATOM 57 C PTH 1 93.12 69.45 57.21 0.00 0.00
58
+ ATOM 58 C PTH 1 93.12 69.45 58.21 0.00 0.00
data/files/A000P/pocket_06.pdb ADDED
@@ -0,0 +1,45 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 90.12 81.45 25.21 0.00 0.00
2
+ ATOM 2 C PTH 1 90.12 81.45 26.21 0.00 0.00
3
+ ATOM 3 C PTH 1 90.12 81.45 27.21 0.00 0.00
4
+ ATOM 4 C PTH 1 90.12 82.45 25.21 0.00 0.00
5
+ ATOM 5 C PTH 1 90.12 82.45 26.21 0.00 0.00
6
+ ATOM 6 C PTH 1 90.12 82.45 27.21 0.00 0.00
7
+ ATOM 7 C PTH 1 90.12 83.45 25.21 0.00 0.00
8
+ ATOM 8 C PTH 1 90.12 83.45 26.21 0.00 0.00
9
+ ATOM 9 C PTH 1 91.12 81.45 26.21 0.00 0.00
10
+ ATOM 10 C PTH 1 91.12 81.45 27.21 0.00 0.00
11
+ ATOM 11 C PTH 1 91.12 81.45 28.21 0.00 0.00
12
+ ATOM 12 C PTH 1 91.12 82.45 25.21 0.00 0.00
13
+ ATOM 13 C PTH 1 91.12 82.45 26.21 0.00 0.00
14
+ ATOM 14 C PTH 1 91.12 82.45 27.21 0.00 0.00
15
+ ATOM 15 C PTH 1 91.12 82.45 28.21 0.00 0.00
16
+ ATOM 16 C PTH 1 91.12 83.45 25.21 0.00 0.00
17
+ ATOM 17 C PTH 1 91.12 83.45 26.21 0.00 0.00
18
+ ATOM 18 C PTH 1 91.12 83.45 27.21 0.00 0.00
19
+ ATOM 19 C PTH 1 91.12 83.45 28.21 0.00 0.00
20
+ ATOM 20 C PTH 1 92.12 81.45 26.21 0.00 0.00
21
+ ATOM 21 C PTH 1 92.12 81.45 27.21 0.00 0.00
22
+ ATOM 22 C PTH 1 92.12 81.45 28.21 0.00 0.00
23
+ ATOM 23 C PTH 1 92.12 82.45 26.21 0.00 0.00
24
+ ATOM 24 C PTH 1 92.12 82.45 27.21 0.00 0.00
25
+ ATOM 25 C PTH 1 92.12 82.45 28.21 0.00 0.00
26
+ ATOM 26 C PTH 1 92.12 83.45 25.21 0.00 0.00
27
+ ATOM 27 C PTH 1 92.12 83.45 26.21 0.00 0.00
28
+ ATOM 28 C PTH 1 92.12 83.45 27.21 0.00 0.00
29
+ ATOM 29 C PTH 1 92.12 83.45 28.21 0.00 0.00
30
+ ATOM 30 C PTH 1 92.12 84.45 26.21 0.00 0.00
31
+ ATOM 31 C PTH 1 92.12 84.45 27.21 0.00 0.00
32
+ ATOM 32 C PTH 1 93.12 81.45 26.21 0.00 0.00
33
+ ATOM 33 C PTH 1 93.12 81.45 27.21 0.00 0.00
34
+ ATOM 34 C PTH 1 93.12 81.45 28.21 0.00 0.00
35
+ ATOM 35 C PTH 1 93.12 82.45 26.21 0.00 0.00
36
+ ATOM 36 C PTH 1 93.12 82.45 27.21 0.00 0.00
37
+ ATOM 37 C PTH 1 93.12 82.45 28.21 0.00 0.00
38
+ ATOM 38 C PTH 1 93.12 83.45 25.21 0.00 0.00
39
+ ATOM 39 C PTH 1 93.12 83.45 26.21 0.00 0.00
40
+ ATOM 40 C PTH 1 93.12 83.45 27.21 0.00 0.00
41
+ ATOM 41 C PTH 1 93.12 83.45 28.21 0.00 0.00
42
+ ATOM 42 C PTH 1 93.12 84.45 26.21 0.00 0.00
43
+ ATOM 43 C PTH 1 93.12 84.45 27.21 0.00 0.00
44
+ ATOM 44 C PTH 1 93.12 84.45 28.21 0.00 0.00
45
+ ATOM 45 C PTH 1 94.12 83.45 26.21 0.00 0.00
data/files/A000P/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A000S/pocket_01.pdb ADDED
@@ -0,0 +1,154 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 41.97 95.96 36.2 0.00 0.00
2
+ ATOM 2 C PTH 1 41.97 95.96 37.2 0.00 0.00
3
+ ATOM 3 C PTH 1 41.97 95.96 38.2 0.00 0.00
4
+ ATOM 4 C PTH 1 41.97 96.96 34.2 0.00 0.00
5
+ ATOM 5 C PTH 1 41.97 96.96 35.2 0.00 0.00
6
+ ATOM 6 C PTH 1 41.97 96.96 36.2 0.00 0.00
7
+ ATOM 7 C PTH 1 41.97 96.96 37.2 0.00 0.00
8
+ ATOM 8 C PTH 1 41.97 96.96 38.2 0.00 0.00
9
+ ATOM 9 C PTH 1 41.97 96.96 39.2 0.00 0.00
10
+ ATOM 10 C PTH 1 41.97 97.96 33.2 0.00 0.00
11
+ ATOM 11 C PTH 1 41.97 97.96 34.2 0.00 0.00
12
+ ATOM 12 C PTH 1 41.97 97.96 35.2 0.00 0.00
13
+ ATOM 13 C PTH 1 41.97 97.96 36.2 0.00 0.00
14
+ ATOM 14 C PTH 1 41.97 97.96 37.2 0.00 0.00
15
+ ATOM 15 C PTH 1 41.97 97.96 38.2 0.00 0.00
16
+ ATOM 16 C PTH 1 41.97 97.96 39.2 0.00 0.00
17
+ ATOM 17 C PTH 1 41.97 98.96 33.2 0.00 0.00
18
+ ATOM 18 C PTH 1 41.97 98.96 34.2 0.00 0.00
19
+ ATOM 19 C PTH 1 41.97 98.96 35.2 0.00 0.00
20
+ ATOM 20 C PTH 1 41.97 98.96 36.2 0.00 0.00
21
+ ATOM 21 C PTH 1 41.97 99.96 34.2 0.00 0.00
22
+ ATOM 22 C PTH 1 42.97 94.96 38.2 0.00 0.00
23
+ ATOM 23 C PTH 1 42.97 95.96 33.2 0.00 0.00
24
+ ATOM 24 C PTH 1 42.97 95.96 34.2 0.00 0.00
25
+ ATOM 25 C PTH 1 42.97 95.96 35.2 0.00 0.00
26
+ ATOM 26 C PTH 1 42.97 95.96 36.2 0.00 0.00
27
+ ATOM 27 C PTH 1 42.97 95.96 37.2 0.00 0.00
28
+ ATOM 28 C PTH 1 42.97 95.96 38.2 0.00 0.00
29
+ ATOM 29 C PTH 1 42.97 95.96 39.2 0.00 0.00
30
+ ATOM 30 C PTH 1 42.97 96.96 33.2 0.00 0.00
31
+ ATOM 31 C PTH 1 42.97 96.96 34.2 0.00 0.00
32
+ ATOM 32 C PTH 1 42.97 96.96 35.2 0.00 0.00
33
+ ATOM 33 C PTH 1 42.97 96.96 36.2 0.00 0.00
34
+ ATOM 34 C PTH 1 42.97 96.96 37.2 0.00 0.00
35
+ ATOM 35 C PTH 1 42.97 96.96 38.2 0.00 0.00
36
+ ATOM 36 C PTH 1 42.97 96.96 39.2 0.00 0.00
37
+ ATOM 37 C PTH 1 42.97 96.96 40.2 0.00 0.00
38
+ ATOM 38 C PTH 1 42.97 97.96 32.2 0.00 0.00
39
+ ATOM 39 C PTH 1 42.97 97.96 33.2 0.00 0.00
40
+ ATOM 40 C PTH 1 42.97 97.96 34.2 0.00 0.00
41
+ ATOM 41 C PTH 1 42.97 97.96 35.2 0.00 0.00
42
+ ATOM 42 C PTH 1 42.97 97.96 36.2 0.00 0.00
43
+ ATOM 43 C PTH 1 42.97 97.96 37.2 0.00 0.00
44
+ ATOM 44 C PTH 1 42.97 97.96 38.2 0.00 0.00
45
+ ATOM 45 C PTH 1 42.97 97.96 39.2 0.00 0.00
46
+ ATOM 46 C PTH 1 42.97 98.96 32.2 0.00 0.00
47
+ ATOM 47 C PTH 1 42.97 98.96 33.2 0.00 0.00
48
+ ATOM 48 C PTH 1 42.97 98.96 34.2 0.00 0.00
49
+ ATOM 49 C PTH 1 42.97 98.96 35.2 0.00 0.00
50
+ ATOM 50 C PTH 1 42.97 98.96 36.2 0.00 0.00
51
+ ATOM 51 C PTH 1 42.97 98.96 37.2 0.00 0.00
52
+ ATOM 52 C PTH 1 42.97 99.96 32.2 0.00 0.00
53
+ ATOM 53 C PTH 1 42.97 99.96 33.2 0.00 0.00
54
+ ATOM 54 C PTH 1 42.97 99.96 34.2 0.00 0.00
55
+ ATOM 55 C PTH 1 42.97 99.96 35.2 0.00 0.00
56
+ ATOM 56 C PTH 1 42.97 99.96 36.2 0.00 0.00
57
+ ATOM 57 C PTH 1 43.97 94.96 37.2 0.00 0.00
58
+ ATOM 58 C PTH 1 43.97 94.96 38.2 0.00 0.00
59
+ ATOM 59 C PTH 1 43.97 95.96 34.2 0.00 0.00
60
+ ATOM 60 C PTH 1 43.97 95.96 35.2 0.00 0.00
61
+ ATOM 61 C PTH 1 43.97 95.96 36.2 0.00 0.00
62
+ ATOM 62 C PTH 1 43.97 95.96 37.2 0.00 0.00
63
+ ATOM 63 C PTH 1 43.97 95.96 38.2 0.00 0.00
64
+ ATOM 64 C PTH 1 43.97 95.96 39.2 0.00 0.00
65
+ ATOM 65 C PTH 1 43.97 96.96 32.2 0.00 0.00
66
+ ATOM 66 C PTH 1 43.97 96.96 33.2 0.00 0.00
67
+ ATOM 67 C PTH 1 43.97 96.96 34.2 0.00 0.00
68
+ ATOM 68 C PTH 1 43.97 96.96 35.2 0.00 0.00
69
+ ATOM 69 C PTH 1 43.97 96.96 36.2 0.00 0.00
70
+ ATOM 70 C PTH 1 43.97 96.96 37.2 0.00 0.00
71
+ ATOM 71 C PTH 1 43.97 96.96 38.2 0.00 0.00
72
+ ATOM 72 C PTH 1 43.97 96.96 39.2 0.00 0.00
73
+ ATOM 73 C PTH 1 43.97 96.96 40.2 0.00 0.00
74
+ ATOM 74 C PTH 1 43.97 97.96 32.2 0.00 0.00
75
+ ATOM 75 C PTH 1 43.97 97.96 33.2 0.00 0.00
76
+ ATOM 76 C PTH 1 43.97 97.96 34.2 0.00 0.00
77
+ ATOM 77 C PTH 1 43.97 97.96 35.2 0.00 0.00
78
+ ATOM 78 C PTH 1 43.97 97.96 36.2 0.00 0.00
79
+ ATOM 79 C PTH 1 43.97 97.96 37.2 0.00 0.00
80
+ ATOM 80 C PTH 1 43.97 97.96 38.2 0.00 0.00
81
+ ATOM 81 C PTH 1 43.97 97.96 39.2 0.00 0.00
82
+ ATOM 82 C PTH 1 43.97 98.96 31.2 0.00 0.00
83
+ ATOM 83 C PTH 1 43.97 98.96 32.2 0.00 0.00
84
+ ATOM 84 C PTH 1 43.97 98.96 33.2 0.00 0.00
85
+ ATOM 85 C PTH 1 43.97 98.96 34.2 0.00 0.00
86
+ ATOM 86 C PTH 1 43.97 98.96 35.2 0.00 0.00
87
+ ATOM 87 C PTH 1 43.97 98.96 36.2 0.00 0.00
88
+ ATOM 88 C PTH 1 43.97 98.96 37.2 0.00 0.00
89
+ ATOM 89 C PTH 1 43.97 98.96 38.2 0.00 0.00
90
+ ATOM 90 C PTH 1 43.97 99.96 32.2 0.00 0.00
91
+ ATOM 91 C PTH 1 43.97 99.96 33.2 0.00 0.00
92
+ ATOM 92 C PTH 1 43.97 99.96 34.2 0.00 0.00
93
+ ATOM 93 C PTH 1 43.97 99.96 35.2 0.00 0.00
94
+ ATOM 94 C PTH 1 43.97 100.96 33.2 0.00 0.00
95
+ ATOM 95 C PTH 1 44.97 94.96 38.2 0.00 0.00
96
+ ATOM 96 C PTH 1 44.97 95.96 34.2 0.00 0.00
97
+ ATOM 97 C PTH 1 44.97 95.96 35.2 0.00 0.00
98
+ ATOM 98 C PTH 1 44.97 95.96 36.2 0.00 0.00
99
+ ATOM 99 C PTH 1 44.97 95.96 37.2 0.00 0.00
100
+ ATOM 100 C PTH 1 44.97 95.96 38.2 0.00 0.00
101
+ ATOM 101 C PTH 1 44.97 95.96 39.2 0.00 0.00
102
+ ATOM 102 C PTH 1 44.97 96.96 33.2 0.00 0.00
103
+ ATOM 103 C PTH 1 44.97 96.96 34.2 0.00 0.00
104
+ ATOM 104 C PTH 1 44.97 96.96 35.2 0.00 0.00
105
+ ATOM 105 C PTH 1 44.97 96.96 36.2 0.00 0.00
106
+ ATOM 106 C PTH 1 44.97 96.96 37.2 0.00 0.00
107
+ ATOM 107 C PTH 1 44.97 96.96 38.2 0.00 0.00
108
+ ATOM 108 C PTH 1 44.97 96.96 39.2 0.00 0.00
109
+ ATOM 109 C PTH 1 44.97 96.96 40.2 0.00 0.00
110
+ ATOM 110 C PTH 1 44.97 97.96 31.2 0.00 0.00
111
+ ATOM 111 C PTH 1 44.97 97.96 32.2 0.00 0.00
112
+ ATOM 112 C PTH 1 44.97 97.96 33.2 0.00 0.00
113
+ ATOM 113 C PTH 1 44.97 97.96 34.2 0.00 0.00
114
+ ATOM 114 C PTH 1 44.97 97.96 35.2 0.00 0.00
115
+ ATOM 115 C PTH 1 44.97 97.96 36.2 0.00 0.00
116
+ ATOM 116 C PTH 1 44.97 97.96 37.2 0.00 0.00
117
+ ATOM 117 C PTH 1 44.97 97.96 38.2 0.00 0.00
118
+ ATOM 118 C PTH 1 44.97 97.96 39.2 0.00 0.00
119
+ ATOM 119 C PTH 1 44.97 98.96 31.2 0.00 0.00
120
+ ATOM 120 C PTH 1 44.97 98.96 32.2 0.00 0.00
121
+ ATOM 121 C PTH 1 44.97 98.96 33.2 0.00 0.00
122
+ ATOM 122 C PTH 1 44.97 98.96 34.2 0.00 0.00
123
+ ATOM 123 C PTH 1 44.97 98.96 35.2 0.00 0.00
124
+ ATOM 124 C PTH 1 44.97 98.96 36.2 0.00 0.00
125
+ ATOM 125 C PTH 1 44.97 98.96 37.2 0.00 0.00
126
+ ATOM 126 C PTH 1 44.97 99.96 31.2 0.00 0.00
127
+ ATOM 127 C PTH 1 44.97 99.96 32.2 0.00 0.00
128
+ ATOM 128 C PTH 1 44.97 99.96 33.2 0.00 0.00
129
+ ATOM 129 C PTH 1 44.97 99.96 34.2 0.00 0.00
130
+ ATOM 130 C PTH 1 44.97 99.96 35.2 0.00 0.00
131
+ ATOM 131 C PTH 1 45.97 95.96 35.2 0.00 0.00
132
+ ATOM 132 C PTH 1 45.97 95.96 36.2 0.00 0.00
133
+ ATOM 133 C PTH 1 45.97 95.96 37.2 0.00 0.00
134
+ ATOM 134 C PTH 1 45.97 95.96 38.2 0.00 0.00
135
+ ATOM 135 C PTH 1 45.97 95.96 39.2 0.00 0.00
136
+ ATOM 136 C PTH 1 45.97 96.96 34.2 0.00 0.00
137
+ ATOM 137 C PTH 1 45.97 96.96 35.2 0.00 0.00
138
+ ATOM 138 C PTH 1 45.97 96.96 36.2 0.00 0.00
139
+ ATOM 139 C PTH 1 45.97 96.96 37.2 0.00 0.00
140
+ ATOM 140 C PTH 1 45.97 96.96 38.2 0.00 0.00
141
+ ATOM 141 C PTH 1 45.97 96.96 39.2 0.00 0.00
142
+ ATOM 142 C PTH 1 45.97 97.96 34.2 0.00 0.00
143
+ ATOM 143 C PTH 1 45.97 97.96 35.2 0.00 0.00
144
+ ATOM 144 C PTH 1 45.97 97.96 36.2 0.00 0.00
145
+ ATOM 145 C PTH 1 45.97 97.96 37.2 0.00 0.00
146
+ ATOM 146 C PTH 1 45.97 97.96 38.2 0.00 0.00
147
+ ATOM 147 C PTH 1 45.97 98.96 32.2 0.00 0.00
148
+ ATOM 148 C PTH 1 45.97 98.96 33.2 0.00 0.00
149
+ ATOM 149 C PTH 1 45.97 99.96 32.2 0.00 0.00
150
+ ATOM 150 C PTH 1 46.97 96.96 35.2 0.00 0.00
151
+ ATOM 151 C PTH 1 46.97 96.96 36.2 0.00 0.00
152
+ ATOM 152 C PTH 1 46.97 96.96 37.2 0.00 0.00
153
+ ATOM 153 C PTH 1 46.97 97.96 35.2 0.00 0.00
154
+ ATOM 154 C PTH 1 46.97 97.96 36.2 0.00 0.00
data/files/A000S/pocket_02.pdb ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 53.97 95.96 25.2 0.00 0.00
2
+ ATOM 2 C PTH 1 53.97 95.96 26.2 0.00 0.00
3
+ ATOM 3 C PTH 1 53.97 96.96 24.2 0.00 0.00
4
+ ATOM 4 C PTH 1 53.97 96.96 25.2 0.00 0.00
5
+ ATOM 5 C PTH 1 53.97 96.96 26.2 0.00 0.00
6
+ ATOM 6 C PTH 1 53.97 96.96 27.2 0.00 0.00
7
+ ATOM 7 C PTH 1 53.97 97.96 25.2 0.00 0.00
8
+ ATOM 8 C PTH 1 53.97 97.96 26.2 0.00 0.00
9
+ ATOM 9 C PTH 1 53.97 97.96 27.2 0.00 0.00
10
+ ATOM 10 C PTH 1 53.97 97.96 28.2 0.00 0.00
11
+ ATOM 11 C PTH 1 54.97 95.96 24.2 0.00 0.00
12
+ ATOM 12 C PTH 1 54.97 95.96 25.2 0.00 0.00
13
+ ATOM 13 C PTH 1 54.97 95.96 26.2 0.00 0.00
14
+ ATOM 14 C PTH 1 54.97 95.96 27.2 0.00 0.00
15
+ ATOM 15 C PTH 1 54.97 96.96 24.2 0.00 0.00
16
+ ATOM 16 C PTH 1 54.97 96.96 25.2 0.00 0.00
17
+ ATOM 17 C PTH 1 54.97 96.96 26.2 0.00 0.00
18
+ ATOM 18 C PTH 1 54.97 96.96 27.2 0.00 0.00
19
+ ATOM 19 C PTH 1 54.97 96.96 28.2 0.00 0.00
20
+ ATOM 20 C PTH 1 54.97 97.96 24.2 0.00 0.00
21
+ ATOM 21 C PTH 1 54.97 97.96 25.2 0.00 0.00
22
+ ATOM 22 C PTH 1 54.97 97.96 26.2 0.00 0.00
23
+ ATOM 23 C PTH 1 54.97 97.96 27.2 0.00 0.00
24
+ ATOM 24 C PTH 1 54.97 97.96 28.2 0.00 0.00
25
+ ATOM 25 C PTH 1 54.97 97.96 29.2 0.00 0.00
26
+ ATOM 26 C PTH 1 54.97 98.96 25.2 0.00 0.00
27
+ ATOM 27 C PTH 1 54.97 98.96 26.2 0.00 0.00
28
+ ATOM 28 C PTH 1 54.97 98.96 27.2 0.00 0.00
29
+ ATOM 29 C PTH 1 54.97 98.96 28.2 0.00 0.00
30
+ ATOM 30 C PTH 1 54.97 98.96 29.2 0.00 0.00
31
+ ATOM 31 C PTH 1 54.97 98.96 30.2 0.00 0.00
32
+ ATOM 32 C PTH 1 54.97 99.96 26.2 0.00 0.00
33
+ ATOM 33 C PTH 1 54.97 99.96 27.2 0.00 0.00
34
+ ATOM 34 C PTH 1 54.97 99.96 28.2 0.00 0.00
35
+ ATOM 35 C PTH 1 54.97 99.96 29.2 0.00 0.00
36
+ ATOM 36 C PTH 1 54.97 99.96 30.2 0.00 0.00
37
+ ATOM 37 C PTH 1 54.97 100.96 28.2 0.00 0.00
38
+ ATOM 38 C PTH 1 54.97 100.96 29.2 0.00 0.00
39
+ ATOM 39 C PTH 1 54.97 100.96 30.2 0.00 0.00
40
+ ATOM 40 C PTH 1 55.97 95.96 24.2 0.00 0.00
41
+ ATOM 41 C PTH 1 55.97 95.96 25.2 0.00 0.00
42
+ ATOM 42 C PTH 1 55.97 95.96 26.2 0.00 0.00
43
+ ATOM 43 C PTH 1 55.97 95.96 27.2 0.00 0.00
44
+ ATOM 44 C PTH 1 55.97 96.96 24.2 0.00 0.00
45
+ ATOM 45 C PTH 1 55.97 96.96 25.2 0.00 0.00
46
+ ATOM 46 C PTH 1 55.97 96.96 26.2 0.00 0.00
47
+ ATOM 47 C PTH 1 55.97 96.96 27.2 0.00 0.00
48
+ ATOM 48 C PTH 1 55.97 96.96 28.2 0.00 0.00
49
+ ATOM 49 C PTH 1 55.97 97.96 24.2 0.00 0.00
50
+ ATOM 50 C PTH 1 55.97 97.96 25.2 0.00 0.00
51
+ ATOM 51 C PTH 1 55.97 97.96 26.2 0.00 0.00
52
+ ATOM 52 C PTH 1 55.97 97.96 27.2 0.00 0.00
53
+ ATOM 53 C PTH 1 55.97 97.96 28.2 0.00 0.00
54
+ ATOM 54 C PTH 1 55.97 97.96 29.2 0.00 0.00
55
+ ATOM 55 C PTH 1 55.97 97.96 30.2 0.00 0.00
56
+ ATOM 56 C PTH 1 55.97 98.96 25.2 0.00 0.00
57
+ ATOM 57 C PTH 1 55.97 98.96 26.2 0.00 0.00
58
+ ATOM 58 C PTH 1 55.97 98.96 27.2 0.00 0.00
59
+ ATOM 59 C PTH 1 55.97 98.96 28.2 0.00 0.00
60
+ ATOM 60 C PTH 1 55.97 98.96 29.2 0.00 0.00
61
+ ATOM 61 C PTH 1 55.97 98.96 30.2 0.00 0.00
62
+ ATOM 62 C PTH 1 55.97 99.96 26.2 0.00 0.00
63
+ ATOM 63 C PTH 1 55.97 99.96 27.2 0.00 0.00
64
+ ATOM 64 C PTH 1 55.97 99.96 28.2 0.00 0.00
65
+ ATOM 65 C PTH 1 55.97 99.96 29.2 0.00 0.00
66
+ ATOM 66 C PTH 1 55.97 99.96 30.2 0.00 0.00
67
+ ATOM 67 C PTH 1 55.97 99.96 31.2 0.00 0.00
68
+ ATOM 68 C PTH 1 55.97 100.96 27.2 0.00 0.00
69
+ ATOM 69 C PTH 1 55.97 100.96 28.2 0.00 0.00
70
+ ATOM 70 C PTH 1 55.97 100.96 29.2 0.00 0.00
71
+ ATOM 71 C PTH 1 55.97 100.96 30.2 0.00 0.00
72
+ ATOM 72 C PTH 1 56.97 96.96 24.2 0.00 0.00
73
+ ATOM 73 C PTH 1 56.97 96.96 25.2 0.00 0.00
74
+ ATOM 74 C PTH 1 56.97 96.96 26.2 0.00 0.00
75
+ ATOM 75 C PTH 1 56.97 96.96 27.2 0.00 0.00
76
+ ATOM 76 C PTH 1 56.97 96.96 28.2 0.00 0.00
77
+ ATOM 77 C PTH 1 56.97 96.96 29.2 0.00 0.00
78
+ ATOM 78 C PTH 1 56.97 97.96 24.2 0.00 0.00
79
+ ATOM 79 C PTH 1 56.97 97.96 25.2 0.00 0.00
80
+ ATOM 80 C PTH 1 56.97 97.96 26.2 0.00 0.00
81
+ ATOM 81 C PTH 1 56.97 97.96 27.2 0.00 0.00
82
+ ATOM 82 C PTH 1 56.97 97.96 28.2 0.00 0.00
83
+ ATOM 83 C PTH 1 56.97 97.96 29.2 0.00 0.00
84
+ ATOM 84 C PTH 1 56.97 97.96 30.2 0.00 0.00
85
+ ATOM 85 C PTH 1 56.97 98.96 24.2 0.00 0.00
86
+ ATOM 86 C PTH 1 56.97 98.96 25.2 0.00 0.00
87
+ ATOM 87 C PTH 1 56.97 98.96 26.2 0.00 0.00
88
+ ATOM 88 C PTH 1 56.97 98.96 27.2 0.00 0.00
89
+ ATOM 89 C PTH 1 56.97 98.96 28.2 0.00 0.00
90
+ ATOM 90 C PTH 1 56.97 98.96 29.2 0.00 0.00
91
+ ATOM 91 C PTH 1 56.97 98.96 30.2 0.00 0.00
92
+ ATOM 92 C PTH 1 56.97 98.96 31.2 0.00 0.00
93
+ ATOM 93 C PTH 1 56.97 99.96 26.2 0.00 0.00
94
+ ATOM 94 C PTH 1 56.97 99.96 27.2 0.00 0.00
95
+ ATOM 95 C PTH 1 56.97 99.96 28.2 0.00 0.00
96
+ ATOM 96 C PTH 1 56.97 99.96 29.2 0.00 0.00
97
+ ATOM 97 C PTH 1 56.97 99.96 30.2 0.00 0.00
98
+ ATOM 98 C PTH 1 56.97 99.96 31.2 0.00 0.00
99
+ ATOM 99 C PTH 1 56.97 100.96 27.2 0.00 0.00
100
+ ATOM 100 C PTH 1 56.97 100.96 28.2 0.00 0.00
101
+ ATOM 101 C PTH 1 56.97 100.96 29.2 0.00 0.00
102
+ ATOM 102 C PTH 1 56.97 100.96 30.2 0.00 0.00
103
+ ATOM 103 C PTH 1 56.97 101.96 29.2 0.00 0.00
104
+ ATOM 104 C PTH 1 57.97 96.96 28.2 0.00 0.00
105
+ ATOM 105 C PTH 1 57.97 96.96 29.2 0.00 0.00
106
+ ATOM 106 C PTH 1 57.97 97.96 26.2 0.00 0.00
107
+ ATOM 107 C PTH 1 57.97 97.96 27.2 0.00 0.00
108
+ ATOM 108 C PTH 1 57.97 97.96 28.2 0.00 0.00
109
+ ATOM 109 C PTH 1 57.97 97.96 29.2 0.00 0.00
110
+ ATOM 110 C PTH 1 57.97 97.96 30.2 0.00 0.00
111
+ ATOM 111 C PTH 1 57.97 98.96 26.2 0.00 0.00
112
+ ATOM 112 C PTH 1 57.97 98.96 27.2 0.00 0.00
113
+ ATOM 113 C PTH 1 57.97 98.96 28.2 0.00 0.00
114
+ ATOM 114 C PTH 1 57.97 98.96 29.2 0.00 0.00
115
+ ATOM 115 C PTH 1 57.97 98.96 30.2 0.00 0.00
116
+ ATOM 116 C PTH 1 57.97 99.96 26.2 0.00 0.00
117
+ ATOM 117 C PTH 1 57.97 99.96 27.2 0.00 0.00
118
+ ATOM 118 C PTH 1 57.97 99.96 28.2 0.00 0.00
119
+ ATOM 119 C PTH 1 57.97 99.96 29.2 0.00 0.00
120
+ ATOM 120 C PTH 1 57.97 99.96 30.2 0.00 0.00
121
+ ATOM 121 C PTH 1 57.97 99.96 31.2 0.00 0.00
122
+ ATOM 122 C PTH 1 57.97 100.96 29.2 0.00 0.00
123
+ ATOM 123 C PTH 1 58.97 97.96 29.2 0.00 0.00
124
+ ATOM 124 C PTH 1 58.97 98.96 29.2 0.00 0.00
125
+ ATOM 125 C PTH 1 58.97 99.96 29.2 0.00 0.00
data/files/A000S/pocket_03.pdb ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 56.97 89.96 42.2 0.00 0.00
2
+ ATOM 2 C PTH 1 56.97 89.96 43.2 0.00 0.00
3
+ ATOM 3 C PTH 1 56.97 89.96 44.2 0.00 0.00
4
+ ATOM 4 C PTH 1 56.97 90.96 42.2 0.00 0.00
5
+ ATOM 5 C PTH 1 56.97 90.96 43.2 0.00 0.00
6
+ ATOM 6 C PTH 1 56.97 90.96 44.2 0.00 0.00
7
+ ATOM 7 C PTH 1 56.97 90.96 45.2 0.00 0.00
8
+ ATOM 8 C PTH 1 56.97 91.96 43.2 0.00 0.00
9
+ ATOM 9 C PTH 1 56.97 91.96 44.2 0.00 0.00
10
+ ATOM 10 C PTH 1 56.97 91.96 45.2 0.00 0.00
11
+ ATOM 11 C PTH 1 57.97 89.96 43.2 0.00 0.00
12
+ ATOM 12 C PTH 1 57.97 89.96 44.2 0.00 0.00
13
+ ATOM 13 C PTH 1 57.97 89.96 45.2 0.00 0.00
14
+ ATOM 14 C PTH 1 57.97 90.96 42.2 0.00 0.00
15
+ ATOM 15 C PTH 1 57.97 90.96 43.2 0.00 0.00
16
+ ATOM 16 C PTH 1 57.97 90.96 44.2 0.00 0.00
17
+ ATOM 17 C PTH 1 57.97 90.96 45.2 0.00 0.00
18
+ ATOM 18 C PTH 1 57.97 90.96 46.2 0.00 0.00
19
+ ATOM 19 C PTH 1 57.97 91.96 43.2 0.00 0.00
20
+ ATOM 20 C PTH 1 57.97 91.96 44.2 0.00 0.00
21
+ ATOM 21 C PTH 1 57.97 91.96 45.2 0.00 0.00
22
+ ATOM 22 C PTH 1 58.97 88.96 44.2 0.00 0.00
23
+ ATOM 23 C PTH 1 58.97 88.96 45.2 0.00 0.00
24
+ ATOM 24 C PTH 1 58.97 89.96 43.2 0.00 0.00
25
+ ATOM 25 C PTH 1 58.97 89.96 44.2 0.00 0.00
26
+ ATOM 26 C PTH 1 58.97 89.96 45.2 0.00 0.00
27
+ ATOM 27 C PTH 1 58.97 89.96 46.2 0.00 0.00
28
+ ATOM 28 C PTH 1 58.97 90.96 42.2 0.00 0.00
29
+ ATOM 29 C PTH 1 58.97 90.96 43.2 0.00 0.00
30
+ ATOM 30 C PTH 1 58.97 90.96 44.2 0.00 0.00
31
+ ATOM 31 C PTH 1 58.97 90.96 45.2 0.00 0.00
32
+ ATOM 32 C PTH 1 58.97 90.96 46.2 0.00 0.00
33
+ ATOM 33 C PTH 1 58.97 91.96 43.2 0.00 0.00
34
+ ATOM 34 C PTH 1 58.97 91.96 44.2 0.00 0.00
35
+ ATOM 35 C PTH 1 58.97 91.96 45.2 0.00 0.00
36
+ ATOM 36 C PTH 1 59.97 88.96 44.2 0.00 0.00
37
+ ATOM 37 C PTH 1 59.97 88.96 45.2 0.00 0.00
38
+ ATOM 38 C PTH 1 59.97 88.96 46.2 0.00 0.00
39
+ ATOM 39 C PTH 1 59.97 89.96 43.2 0.00 0.00
40
+ ATOM 40 C PTH 1 59.97 89.96 44.2 0.00 0.00
41
+ ATOM 41 C PTH 1 59.97 89.96 45.2 0.00 0.00
42
+ ATOM 42 C PTH 1 59.97 89.96 46.2 0.00 0.00
43
+ ATOM 43 C PTH 1 59.97 90.96 43.2 0.00 0.00
44
+ ATOM 44 C PTH 1 59.97 90.96 44.2 0.00 0.00
45
+ ATOM 45 C PTH 1 59.97 90.96 45.2 0.00 0.00
46
+ ATOM 46 C PTH 1 59.97 90.96 46.2 0.00 0.00
47
+ ATOM 47 C PTH 1 59.97 91.96 43.2 0.00 0.00
48
+ ATOM 48 C PTH 1 59.97 91.96 44.2 0.00 0.00
49
+ ATOM 49 C PTH 1 59.97 91.96 45.2 0.00 0.00
50
+ ATOM 50 C PTH 1 60.97 87.96 44.2 0.00 0.00
51
+ ATOM 51 C PTH 1 60.97 87.96 45.2 0.00 0.00
52
+ ATOM 52 C PTH 1 60.97 87.96 46.2 0.00 0.00
53
+ ATOM 53 C PTH 1 60.97 88.96 44.2 0.00 0.00
54
+ ATOM 54 C PTH 1 60.97 88.96 45.2 0.00 0.00
55
+ ATOM 55 C PTH 1 60.97 88.96 46.2 0.00 0.00
56
+ ATOM 56 C PTH 1 60.97 89.96 43.2 0.00 0.00
57
+ ATOM 57 C PTH 1 60.97 89.96 44.2 0.00 0.00
58
+ ATOM 58 C PTH 1 60.97 89.96 45.2 0.00 0.00
59
+ ATOM 59 C PTH 1 60.97 89.96 46.2 0.00 0.00
60
+ ATOM 60 C PTH 1 60.97 90.96 43.2 0.00 0.00
61
+ ATOM 61 C PTH 1 60.97 90.96 44.2 0.00 0.00
62
+ ATOM 62 C PTH 1 60.97 90.96 45.2 0.00 0.00
63
+ ATOM 63 C PTH 1 60.97 90.96 46.2 0.00 0.00
64
+ ATOM 64 C PTH 1 60.97 91.96 43.2 0.00 0.00
65
+ ATOM 65 C PTH 1 60.97 91.96 44.2 0.00 0.00
66
+ ATOM 66 C PTH 1 60.97 91.96 45.2 0.00 0.00
67
+ ATOM 67 C PTH 1 61.97 87.96 44.2 0.00 0.00
68
+ ATOM 68 C PTH 1 61.97 87.96 45.2 0.00 0.00
69
+ ATOM 69 C PTH 1 61.97 87.96 46.2 0.00 0.00
70
+ ATOM 70 C PTH 1 61.97 87.96 47.2 0.00 0.00
71
+ ATOM 71 C PTH 1 61.97 88.96 44.2 0.00 0.00
72
+ ATOM 72 C PTH 1 61.97 88.96 45.2 0.00 0.00
73
+ ATOM 73 C PTH 1 61.97 88.96 46.2 0.00 0.00
74
+ ATOM 74 C PTH 1 61.97 88.96 47.2 0.00 0.00
75
+ ATOM 75 C PTH 1 61.97 89.96 43.2 0.00 0.00
76
+ ATOM 76 C PTH 1 61.97 89.96 44.2 0.00 0.00
77
+ ATOM 77 C PTH 1 61.97 89.96 45.2 0.00 0.00
78
+ ATOM 78 C PTH 1 61.97 89.96 46.2 0.00 0.00
79
+ ATOM 79 C PTH 1 61.97 89.96 47.2 0.00 0.00
80
+ ATOM 80 C PTH 1 61.97 90.96 43.2 0.00 0.00
81
+ ATOM 81 C PTH 1 61.97 90.96 44.2 0.00 0.00
82
+ ATOM 82 C PTH 1 61.97 90.96 45.2 0.00 0.00
83
+ ATOM 83 C PTH 1 61.97 90.96 46.2 0.00 0.00
84
+ ATOM 84 C PTH 1 61.97 91.96 43.2 0.00 0.00
85
+ ATOM 85 C PTH 1 61.97 91.96 44.2 0.00 0.00
86
+ ATOM 86 C PTH 1 61.97 91.96 45.2 0.00 0.00
87
+ ATOM 87 C PTH 1 62.97 86.96 45.2 0.00 0.00
88
+ ATOM 88 C PTH 1 62.97 86.96 46.2 0.00 0.00
89
+ ATOM 89 C PTH 1 62.97 87.96 44.2 0.00 0.00
90
+ ATOM 90 C PTH 1 62.97 87.96 45.2 0.00 0.00
91
+ ATOM 91 C PTH 1 62.97 87.96 46.2 0.00 0.00
92
+ ATOM 92 C PTH 1 62.97 87.96 47.2 0.00 0.00
93
+ ATOM 93 C PTH 1 62.97 87.96 48.2 0.00 0.00
94
+ ATOM 94 C PTH 1 62.97 88.96 44.2 0.00 0.00
95
+ ATOM 95 C PTH 1 62.97 88.96 45.2 0.00 0.00
96
+ ATOM 96 C PTH 1 62.97 88.96 46.2 0.00 0.00
97
+ ATOM 97 C PTH 1 62.97 88.96 47.2 0.00 0.00
98
+ ATOM 98 C PTH 1 62.97 89.96 44.2 0.00 0.00
99
+ ATOM 99 C PTH 1 62.97 89.96 45.2 0.00 0.00
100
+ ATOM 100 C PTH 1 62.97 89.96 46.2 0.00 0.00
101
+ ATOM 101 C PTH 1 62.97 89.96 47.2 0.00 0.00
102
+ ATOM 102 C PTH 1 62.97 89.96 48.2 0.00 0.00
103
+ ATOM 103 C PTH 1 62.97 90.96 44.2 0.00 0.00
104
+ ATOM 104 C PTH 1 62.97 90.96 45.2 0.00 0.00
105
+ ATOM 105 C PTH 1 62.97 90.96 46.2 0.00 0.00
106
+ ATOM 106 C PTH 1 63.97 87.96 45.2 0.00 0.00
107
+ ATOM 107 C PTH 1 63.97 87.96 46.2 0.00 0.00
108
+ ATOM 108 C PTH 1 63.97 87.96 47.2 0.00 0.00
109
+ ATOM 109 C PTH 1 63.97 87.96 48.2 0.00 0.00
110
+ ATOM 110 C PTH 1 63.97 88.96 45.2 0.00 0.00
111
+ ATOM 111 C PTH 1 63.97 88.96 46.2 0.00 0.00
112
+ ATOM 112 C PTH 1 63.97 88.96 47.2 0.00 0.00
113
+ ATOM 113 C PTH 1 63.97 88.96 48.2 0.00 0.00
114
+ ATOM 114 C PTH 1 63.97 89.96 45.2 0.00 0.00
115
+ ATOM 115 C PTH 1 63.97 89.96 46.2 0.00 0.00
116
+ ATOM 116 C PTH 1 63.97 89.96 47.2 0.00 0.00
117
+ ATOM 117 C PTH 1 63.97 89.96 48.2 0.00 0.00
118
+ ATOM 118 C PTH 1 63.97 90.96 48.2 0.00 0.00
119
+ ATOM 119 C PTH 1 64.97 87.96 46.2 0.00 0.00
120
+ ATOM 120 C PTH 1 64.97 87.96 48.2 0.00 0.00
121
+ ATOM 121 C PTH 1 64.97 88.96 46.2 0.00 0.00
122
+ ATOM 122 C PTH 1 64.97 88.96 47.2 0.00 0.00
123
+ ATOM 123 C PTH 1 64.97 88.96 48.2 0.00 0.00
124
+ ATOM 124 C PTH 1 64.97 89.96 47.2 0.00 0.00
125
+ ATOM 125 C PTH 1 64.97 89.96 48.2 0.00 0.00
data/files/A000S/pocket_04.pdb ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 75.97 83.96 52.2 0.00 0.00
2
+ ATOM 2 C PTH 1 75.97 84.96 50.2 0.00 0.00
3
+ ATOM 3 C PTH 1 75.97 84.96 51.2 0.00 0.00
4
+ ATOM 4 C PTH 1 75.97 84.96 52.2 0.00 0.00
5
+ ATOM 5 C PTH 1 75.97 84.96 53.2 0.00 0.00
6
+ ATOM 6 C PTH 1 75.97 85.96 50.2 0.00 0.00
7
+ ATOM 7 C PTH 1 75.97 85.96 51.2 0.00 0.00
8
+ ATOM 8 C PTH 1 75.97 86.96 50.2 0.00 0.00
9
+ ATOM 9 C PTH 1 76.97 83.96 50.2 0.00 0.00
10
+ ATOM 10 C PTH 1 76.97 83.96 51.2 0.00 0.00
11
+ ATOM 11 C PTH 1 76.97 83.96 52.2 0.00 0.00
12
+ ATOM 12 C PTH 1 76.97 83.96 53.2 0.00 0.00
13
+ ATOM 13 C PTH 1 76.97 84.96 50.2 0.00 0.00
14
+ ATOM 14 C PTH 1 76.97 84.96 51.2 0.00 0.00
15
+ ATOM 15 C PTH 1 76.97 84.96 52.2 0.00 0.00
16
+ ATOM 16 C PTH 1 76.97 84.96 53.2 0.00 0.00
17
+ ATOM 17 C PTH 1 76.97 85.96 50.2 0.00 0.00
18
+ ATOM 18 C PTH 1 76.97 85.96 51.2 0.00 0.00
19
+ ATOM 19 C PTH 1 76.97 85.96 52.2 0.00 0.00
20
+ ATOM 20 C PTH 1 76.97 85.96 53.2 0.00 0.00
21
+ ATOM 21 C PTH 1 76.97 86.96 49.2 0.00 0.00
22
+ ATOM 22 C PTH 1 76.97 86.96 50.2 0.00 0.00
23
+ ATOM 23 C PTH 1 76.97 86.96 51.2 0.00 0.00
24
+ ATOM 24 C PTH 1 76.97 86.96 52.2 0.00 0.00
25
+ ATOM 25 C PTH 1 76.97 87.96 50.2 0.00 0.00
26
+ ATOM 26 C PTH 1 77.97 83.96 50.2 0.00 0.00
27
+ ATOM 27 C PTH 1 77.97 83.96 51.2 0.00 0.00
28
+ ATOM 28 C PTH 1 77.97 83.96 52.2 0.00 0.00
29
+ ATOM 29 C PTH 1 77.97 83.96 53.2 0.00 0.00
30
+ ATOM 30 C PTH 1 77.97 84.96 50.2 0.00 0.00
31
+ ATOM 31 C PTH 1 77.97 84.96 51.2 0.00 0.00
32
+ ATOM 32 C PTH 1 77.97 84.96 52.2 0.00 0.00
33
+ ATOM 33 C PTH 1 77.97 84.96 53.2 0.00 0.00
34
+ ATOM 34 C PTH 1 77.97 85.96 49.2 0.00 0.00
35
+ ATOM 35 C PTH 1 77.97 85.96 50.2 0.00 0.00
36
+ ATOM 36 C PTH 1 77.97 85.96 51.2 0.00 0.00
37
+ ATOM 37 C PTH 1 77.97 85.96 52.2 0.00 0.00
38
+ ATOM 38 C PTH 1 77.97 85.96 53.2 0.00 0.00
39
+ ATOM 39 C PTH 1 77.97 85.96 54.2 0.00 0.00
40
+ ATOM 40 C PTH 1 77.97 86.96 50.2 0.00 0.00
41
+ ATOM 41 C PTH 1 77.97 86.96 51.2 0.00 0.00
42
+ ATOM 42 C PTH 1 77.97 86.96 52.2 0.00 0.00
43
+ ATOM 43 C PTH 1 77.97 86.96 53.2 0.00 0.00
44
+ ATOM 44 C PTH 1 77.97 86.96 54.2 0.00 0.00
45
+ ATOM 45 C PTH 1 78.97 83.96 50.2 0.00 0.00
46
+ ATOM 46 C PTH 1 78.97 83.96 51.2 0.00 0.00
47
+ ATOM 47 C PTH 1 78.97 83.96 52.2 0.00 0.00
48
+ ATOM 48 C PTH 1 78.97 83.96 53.2 0.00 0.00
49
+ ATOM 49 C PTH 1 78.97 84.96 50.2 0.00 0.00
50
+ ATOM 50 C PTH 1 78.97 84.96 51.2 0.00 0.00
51
+ ATOM 51 C PTH 1 78.97 84.96 52.2 0.00 0.00
52
+ ATOM 52 C PTH 1 78.97 84.96 53.2 0.00 0.00
53
+ ATOM 53 C PTH 1 78.97 84.96 54.2 0.00 0.00
54
+ ATOM 54 C PTH 1 78.97 85.96 50.2 0.00 0.00
55
+ ATOM 55 C PTH 1 78.97 85.96 51.2 0.00 0.00
56
+ ATOM 56 C PTH 1 78.97 85.96 52.2 0.00 0.00
57
+ ATOM 57 C PTH 1 78.97 85.96 53.2 0.00 0.00
58
+ ATOM 58 C PTH 1 78.97 85.96 54.2 0.00 0.00
59
+ ATOM 59 C PTH 1 78.97 86.96 50.2 0.00 0.00
60
+ ATOM 60 C PTH 1 78.97 86.96 51.2 0.00 0.00
61
+ ATOM 61 C PTH 1 78.97 86.96 52.2 0.00 0.00
62
+ ATOM 62 C PTH 1 78.97 86.96 53.2 0.00 0.00
63
+ ATOM 63 C PTH 1 78.97 86.96 54.2 0.00 0.00
64
+ ATOM 64 C PTH 1 78.97 87.96 50.2 0.00 0.00
65
+ ATOM 65 C PTH 1 78.97 87.96 51.2 0.00 0.00
66
+ ATOM 66 C PTH 1 78.97 87.96 52.2 0.00 0.00
67
+ ATOM 67 C PTH 1 78.97 87.96 53.2 0.00 0.00
68
+ ATOM 68 C PTH 1 78.97 87.96 54.2 0.00 0.00
69
+ ATOM 69 C PTH 1 79.97 83.96 51.2 0.00 0.00
70
+ ATOM 70 C PTH 1 79.97 83.96 52.2 0.00 0.00
71
+ ATOM 71 C PTH 1 79.97 83.96 53.2 0.00 0.00
72
+ ATOM 72 C PTH 1 79.97 84.96 50.2 0.00 0.00
73
+ ATOM 73 C PTH 1 79.97 84.96 51.2 0.00 0.00
74
+ ATOM 74 C PTH 1 79.97 84.96 52.2 0.00 0.00
75
+ ATOM 75 C PTH 1 79.97 84.96 53.2 0.00 0.00
76
+ ATOM 76 C PTH 1 79.97 84.96 54.2 0.00 0.00
77
+ ATOM 77 C PTH 1 79.97 85.96 50.2 0.00 0.00
78
+ ATOM 78 C PTH 1 79.97 85.96 51.2 0.00 0.00
79
+ ATOM 79 C PTH 1 79.97 85.96 52.2 0.00 0.00
80
+ ATOM 80 C PTH 1 79.97 85.96 53.2 0.00 0.00
81
+ ATOM 81 C PTH 1 79.97 85.96 54.2 0.00 0.00
82
+ ATOM 82 C PTH 1 79.97 86.96 50.2 0.00 0.00
83
+ ATOM 83 C PTH 1 79.97 86.96 51.2 0.00 0.00
84
+ ATOM 84 C PTH 1 79.97 86.96 52.2 0.00 0.00
85
+ ATOM 85 C PTH 1 79.97 86.96 53.2 0.00 0.00
86
+ ATOM 86 C PTH 1 79.97 86.96 54.2 0.00 0.00
87
+ ATOM 87 C PTH 1 79.97 87.96 50.2 0.00 0.00
88
+ ATOM 88 C PTH 1 79.97 87.96 51.2 0.00 0.00
89
+ ATOM 89 C PTH 1 79.97 87.96 52.2 0.00 0.00
90
+ ATOM 90 C PTH 1 79.97 87.96 53.2 0.00 0.00
91
+ ATOM 91 C PTH 1 79.97 87.96 54.2 0.00 0.00
92
+ ATOM 92 C PTH 1 79.97 88.96 51.2 0.00 0.00
93
+ ATOM 93 C PTH 1 79.97 88.96 52.2 0.00 0.00
94
+ ATOM 94 C PTH 1 80.97 84.96 51.2 0.00 0.00
95
+ ATOM 95 C PTH 1 80.97 84.96 52.2 0.00 0.00
96
+ ATOM 96 C PTH 1 80.97 84.96 53.2 0.00 0.00
97
+ ATOM 97 C PTH 1 80.97 85.96 50.2 0.00 0.00
98
+ ATOM 98 C PTH 1 80.97 85.96 51.2 0.00 0.00
99
+ ATOM 99 C PTH 1 80.97 85.96 52.2 0.00 0.00
100
+ ATOM 100 C PTH 1 80.97 85.96 53.2 0.00 0.00
101
+ ATOM 101 C PTH 1 80.97 86.96 50.2 0.00 0.00
102
+ ATOM 102 C PTH 1 80.97 86.96 51.2 0.00 0.00
103
+ ATOM 103 C PTH 1 80.97 86.96 52.2 0.00 0.00
104
+ ATOM 104 C PTH 1 80.97 86.96 53.2 0.00 0.00
105
+ ATOM 105 C PTH 1 80.97 87.96 50.2 0.00 0.00
106
+ ATOM 106 C PTH 1 80.97 87.96 51.2 0.00 0.00
107
+ ATOM 107 C PTH 1 80.97 87.96 52.2 0.00 0.00
108
+ ATOM 108 C PTH 1 80.97 87.96 53.2 0.00 0.00
109
+ ATOM 109 C PTH 1 80.97 88.96 51.2 0.00 0.00
110
+ ATOM 110 C PTH 1 80.97 88.96 52.2 0.00 0.00
111
+ ATOM 111 C PTH 1 80.97 88.96 53.2 0.00 0.00
112
+ ATOM 112 C PTH 1 81.97 85.96 51.2 0.00 0.00
113
+ ATOM 113 C PTH 1 81.97 85.96 52.2 0.00 0.00
114
+ ATOM 114 C PTH 1 81.97 85.96 53.2 0.00 0.00
115
+ ATOM 115 C PTH 1 81.97 86.96 50.2 0.00 0.00
116
+ ATOM 116 C PTH 1 81.97 86.96 51.2 0.00 0.00
117
+ ATOM 117 C PTH 1 81.97 86.96 52.2 0.00 0.00
118
+ ATOM 118 C PTH 1 81.97 86.96 53.2 0.00 0.00
119
+ ATOM 119 C PTH 1 81.97 87.96 50.2 0.00 0.00
120
+ ATOM 120 C PTH 1 81.97 87.96 51.2 0.00 0.00
121
+ ATOM 121 C PTH 1 81.97 87.96 52.2 0.00 0.00
122
+ ATOM 122 C PTH 1 81.97 87.96 53.2 0.00 0.00
123
+ ATOM 123 C PTH 1 81.97 88.96 50.2 0.00 0.00
124
+ ATOM 124 C PTH 1 81.97 88.96 51.2 0.00 0.00
125
+ ATOM 125 C PTH 1 81.97 88.96 52.2 0.00 0.00
data/files/A000S/pocket_05.pdb ADDED
@@ -0,0 +1,107 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 73.97 96.96 43.2 0.00 0.00
2
+ ATOM 2 C PTH 1 73.97 96.96 44.2 0.00 0.00
3
+ ATOM 3 C PTH 1 73.97 97.96 44.2 0.00 0.00
4
+ ATOM 4 C PTH 1 73.97 98.96 45.2 0.00 0.00
5
+ ATOM 5 C PTH 1 73.97 98.96 46.2 0.00 0.00
6
+ ATOM 6 C PTH 1 73.97 98.96 47.2 0.00 0.00
7
+ ATOM 7 C PTH 1 74.97 96.96 43.2 0.00 0.00
8
+ ATOM 8 C PTH 1 74.97 96.96 44.2 0.00 0.00
9
+ ATOM 9 C PTH 1 74.97 96.96 45.2 0.00 0.00
10
+ ATOM 10 C PTH 1 74.97 96.96 46.2 0.00 0.00
11
+ ATOM 11 C PTH 1 74.97 97.96 44.2 0.00 0.00
12
+ ATOM 12 C PTH 1 74.97 97.96 45.2 0.00 0.00
13
+ ATOM 13 C PTH 1 74.97 97.96 46.2 0.00 0.00
14
+ ATOM 14 C PTH 1 74.97 97.96 47.2 0.00 0.00
15
+ ATOM 15 C PTH 1 74.97 98.96 44.2 0.00 0.00
16
+ ATOM 16 C PTH 1 74.97 98.96 45.2 0.00 0.00
17
+ ATOM 17 C PTH 1 74.97 98.96 46.2 0.00 0.00
18
+ ATOM 18 C PTH 1 74.97 98.96 47.2 0.00 0.00
19
+ ATOM 19 C PTH 1 74.97 98.96 48.2 0.00 0.00
20
+ ATOM 20 C PTH 1 74.97 99.96 45.2 0.00 0.00
21
+ ATOM 21 C PTH 1 74.97 99.96 46.2 0.00 0.00
22
+ ATOM 22 C PTH 1 74.97 99.96 47.2 0.00 0.00
23
+ ATOM 23 C PTH 1 75.97 96.96 43.2 0.00 0.00
24
+ ATOM 24 C PTH 1 75.97 96.96 44.2 0.00 0.00
25
+ ATOM 25 C PTH 1 75.97 96.96 45.2 0.00 0.00
26
+ ATOM 26 C PTH 1 75.97 96.96 46.2 0.00 0.00
27
+ ATOM 27 C PTH 1 75.97 96.96 47.2 0.00 0.00
28
+ ATOM 28 C PTH 1 75.97 97.96 44.2 0.00 0.00
29
+ ATOM 29 C PTH 1 75.97 97.96 45.2 0.00 0.00
30
+ ATOM 30 C PTH 1 75.97 97.96 46.2 0.00 0.00
31
+ ATOM 31 C PTH 1 75.97 97.96 47.2 0.00 0.00
32
+ ATOM 32 C PTH 1 75.97 97.96 48.2 0.00 0.00
33
+ ATOM 33 C PTH 1 75.97 98.96 44.2 0.00 0.00
34
+ ATOM 34 C PTH 1 75.97 98.96 45.2 0.00 0.00
35
+ ATOM 35 C PTH 1 75.97 98.96 46.2 0.00 0.00
36
+ ATOM 36 C PTH 1 75.97 98.96 47.2 0.00 0.00
37
+ ATOM 37 C PTH 1 75.97 98.96 48.2 0.00 0.00
38
+ ATOM 38 C PTH 1 75.97 99.96 45.2 0.00 0.00
39
+ ATOM 39 C PTH 1 75.97 99.96 46.2 0.00 0.00
40
+ ATOM 40 C PTH 1 75.97 99.96 47.2 0.00 0.00
41
+ ATOM 41 C PTH 1 75.97 99.96 48.2 0.00 0.00
42
+ ATOM 42 C PTH 1 75.97 100.96 46.2 0.00 0.00
43
+ ATOM 43 C PTH 1 75.97 100.96 47.2 0.00 0.00
44
+ ATOM 44 C PTH 1 75.97 100.96 48.2 0.00 0.00
45
+ ATOM 45 C PTH 1 76.97 96.96 44.2 0.00 0.00
46
+ ATOM 46 C PTH 1 76.97 96.96 45.2 0.00 0.00
47
+ ATOM 47 C PTH 1 76.97 96.96 46.2 0.00 0.00
48
+ ATOM 48 C PTH 1 76.97 96.96 47.2 0.00 0.00
49
+ ATOM 49 C PTH 1 76.97 96.96 48.2 0.00 0.00
50
+ ATOM 50 C PTH 1 76.97 97.96 44.2 0.00 0.00
51
+ ATOM 51 C PTH 1 76.97 97.96 45.2 0.00 0.00
52
+ ATOM 52 C PTH 1 76.97 97.96 46.2 0.00 0.00
53
+ ATOM 53 C PTH 1 76.97 97.96 47.2 0.00 0.00
54
+ ATOM 54 C PTH 1 76.97 97.96 48.2 0.00 0.00
55
+ ATOM 55 C PTH 1 76.97 97.96 49.2 0.00 0.00
56
+ ATOM 56 C PTH 1 76.97 98.96 44.2 0.00 0.00
57
+ ATOM 57 C PTH 1 76.97 98.96 45.2 0.00 0.00
58
+ ATOM 58 C PTH 1 76.97 98.96 46.2 0.00 0.00
59
+ ATOM 59 C PTH 1 76.97 98.96 47.2 0.00 0.00
60
+ ATOM 60 C PTH 1 76.97 98.96 48.2 0.00 0.00
61
+ ATOM 61 C PTH 1 76.97 98.96 49.2 0.00 0.00
62
+ ATOM 62 C PTH 1 76.97 99.96 45.2 0.00 0.00
63
+ ATOM 63 C PTH 1 76.97 99.96 46.2 0.00 0.00
64
+ ATOM 64 C PTH 1 76.97 99.96 47.2 0.00 0.00
65
+ ATOM 65 C PTH 1 76.97 99.96 48.2 0.00 0.00
66
+ ATOM 66 C PTH 1 76.97 99.96 49.2 0.00 0.00
67
+ ATOM 67 C PTH 1 76.97 100.96 45.2 0.00 0.00
68
+ ATOM 68 C PTH 1 76.97 100.96 46.2 0.00 0.00
69
+ ATOM 69 C PTH 1 76.97 100.96 47.2 0.00 0.00
70
+ ATOM 70 C PTH 1 76.97 100.96 48.2 0.00 0.00
71
+ ATOM 71 C PTH 1 76.97 100.96 49.2 0.00 0.00
72
+ ATOM 72 C PTH 1 77.97 96.96 45.2 0.00 0.00
73
+ ATOM 73 C PTH 1 77.97 96.96 46.2 0.00 0.00
74
+ ATOM 74 C PTH 1 77.97 96.96 47.2 0.00 0.00
75
+ ATOM 75 C PTH 1 77.97 96.96 48.2 0.00 0.00
76
+ ATOM 76 C PTH 1 77.97 97.96 44.2 0.00 0.00
77
+ ATOM 77 C PTH 1 77.97 97.96 45.2 0.00 0.00
78
+ ATOM 78 C PTH 1 77.97 97.96 46.2 0.00 0.00
79
+ ATOM 79 C PTH 1 77.97 97.96 47.2 0.00 0.00
80
+ ATOM 80 C PTH 1 77.97 97.96 48.2 0.00 0.00
81
+ ATOM 81 C PTH 1 77.97 97.96 49.2 0.00 0.00
82
+ ATOM 82 C PTH 1 77.97 98.96 45.2 0.00 0.00
83
+ ATOM 83 C PTH 1 77.97 98.96 46.2 0.00 0.00
84
+ ATOM 84 C PTH 1 77.97 98.96 47.2 0.00 0.00
85
+ ATOM 85 C PTH 1 77.97 98.96 48.2 0.00 0.00
86
+ ATOM 86 C PTH 1 77.97 98.96 49.2 0.00 0.00
87
+ ATOM 87 C PTH 1 77.97 99.96 45.2 0.00 0.00
88
+ ATOM 88 C PTH 1 77.97 99.96 46.2 0.00 0.00
89
+ ATOM 89 C PTH 1 77.97 99.96 47.2 0.00 0.00
90
+ ATOM 90 C PTH 1 77.97 99.96 48.2 0.00 0.00
91
+ ATOM 91 C PTH 1 77.97 99.96 49.2 0.00 0.00
92
+ ATOM 92 C PTH 1 77.97 100.96 45.2 0.00 0.00
93
+ ATOM 93 C PTH 1 77.97 100.96 46.2 0.00 0.00
94
+ ATOM 94 C PTH 1 77.97 100.96 47.2 0.00 0.00
95
+ ATOM 95 C PTH 1 77.97 100.96 48.2 0.00 0.00
96
+ ATOM 96 C PTH 1 77.97 100.96 49.2 0.00 0.00
97
+ ATOM 97 C PTH 1 78.97 97.96 45.2 0.00 0.00
98
+ ATOM 98 C PTH 1 78.97 97.96 46.2 0.00 0.00
99
+ ATOM 99 C PTH 1 78.97 97.96 47.2 0.00 0.00
100
+ ATOM 100 C PTH 1 78.97 98.96 45.2 0.00 0.00
101
+ ATOM 101 C PTH 1 78.97 98.96 46.2 0.00 0.00
102
+ ATOM 102 C PTH 1 78.97 98.96 47.2 0.00 0.00
103
+ ATOM 103 C PTH 1 78.97 98.96 48.2 0.00 0.00
104
+ ATOM 104 C PTH 1 78.97 99.96 45.2 0.00 0.00
105
+ ATOM 105 C PTH 1 78.97 99.96 46.2 0.00 0.00
106
+ ATOM 106 C PTH 1 78.97 99.96 47.2 0.00 0.00
107
+ ATOM 107 C PTH 1 78.97 99.96 48.2 0.00 0.00
data/files/A000S/pocket_06.pdb ADDED
@@ -0,0 +1,98 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 64.97 94.96 40.2 0.00 0.00
2
+ ATOM 2 C PTH 1 64.97 94.96 41.2 0.00 0.00
3
+ ATOM 3 C PTH 1 64.97 94.96 42.2 0.00 0.00
4
+ ATOM 4 C PTH 1 64.97 95.96 40.2 0.00 0.00
5
+ ATOM 5 C PTH 1 64.97 95.96 41.2 0.00 0.00
6
+ ATOM 6 C PTH 1 64.97 95.96 42.2 0.00 0.00
7
+ ATOM 7 C PTH 1 64.97 96.96 40.2 0.00 0.00
8
+ ATOM 8 C PTH 1 64.97 96.96 41.2 0.00 0.00
9
+ ATOM 9 C PTH 1 65.97 94.96 40.2 0.00 0.00
10
+ ATOM 10 C PTH 1 65.97 94.96 41.2 0.00 0.00
11
+ ATOM 11 C PTH 1 65.97 94.96 42.2 0.00 0.00
12
+ ATOM 12 C PTH 1 65.97 94.96 43.2 0.00 0.00
13
+ ATOM 13 C PTH 1 65.97 95.96 40.2 0.00 0.00
14
+ ATOM 14 C PTH 1 65.97 95.96 41.2 0.00 0.00
15
+ ATOM 15 C PTH 1 65.97 95.96 42.2 0.00 0.00
16
+ ATOM 16 C PTH 1 65.97 95.96 43.2 0.00 0.00
17
+ ATOM 17 C PTH 1 65.97 96.96 40.2 0.00 0.00
18
+ ATOM 18 C PTH 1 65.97 96.96 41.2 0.00 0.00
19
+ ATOM 19 C PTH 1 65.97 96.96 42.2 0.00 0.00
20
+ ATOM 20 C PTH 1 65.97 96.96 43.2 0.00 0.00
21
+ ATOM 21 C PTH 1 65.97 97.96 40.2 0.00 0.00
22
+ ATOM 22 C PTH 1 65.97 97.96 41.2 0.00 0.00
23
+ ATOM 23 C PTH 1 65.97 97.96 42.2 0.00 0.00
24
+ ATOM 24 C PTH 1 66.97 94.96 40.2 0.00 0.00
25
+ ATOM 25 C PTH 1 66.97 94.96 41.2 0.00 0.00
26
+ ATOM 26 C PTH 1 66.97 94.96 42.2 0.00 0.00
27
+ ATOM 27 C PTH 1 66.97 94.96 43.2 0.00 0.00
28
+ ATOM 28 C PTH 1 66.97 95.96 40.2 0.00 0.00
29
+ ATOM 29 C PTH 1 66.97 95.96 41.2 0.00 0.00
30
+ ATOM 30 C PTH 1 66.97 95.96 42.2 0.00 0.00
31
+ ATOM 31 C PTH 1 66.97 95.96 43.2 0.00 0.00
32
+ ATOM 32 C PTH 1 66.97 96.96 40.2 0.00 0.00
33
+ ATOM 33 C PTH 1 66.97 96.96 41.2 0.00 0.00
34
+ ATOM 34 C PTH 1 66.97 96.96 42.2 0.00 0.00
35
+ ATOM 35 C PTH 1 66.97 96.96 43.2 0.00 0.00
36
+ ATOM 36 C PTH 1 66.97 97.96 40.2 0.00 0.00
37
+ ATOM 37 C PTH 1 66.97 97.96 41.2 0.00 0.00
38
+ ATOM 38 C PTH 1 66.97 97.96 42.2 0.00 0.00
39
+ ATOM 39 C PTH 1 67.97 93.96 40.2 0.00 0.00
40
+ ATOM 40 C PTH 1 67.97 93.96 41.2 0.00 0.00
41
+ ATOM 41 C PTH 1 67.97 94.96 39.2 0.00 0.00
42
+ ATOM 42 C PTH 1 67.97 94.96 40.2 0.00 0.00
43
+ ATOM 43 C PTH 1 67.97 94.96 41.2 0.00 0.00
44
+ ATOM 44 C PTH 1 67.97 94.96 42.2 0.00 0.00
45
+ ATOM 45 C PTH 1 67.97 94.96 43.2 0.00 0.00
46
+ ATOM 46 C PTH 1 67.97 95.96 39.2 0.00 0.00
47
+ ATOM 47 C PTH 1 67.97 95.96 40.2 0.00 0.00
48
+ ATOM 48 C PTH 1 67.97 95.96 41.2 0.00 0.00
49
+ ATOM 49 C PTH 1 67.97 95.96 42.2 0.00 0.00
50
+ ATOM 50 C PTH 1 67.97 95.96 43.2 0.00 0.00
51
+ ATOM 51 C PTH 1 67.97 96.96 40.2 0.00 0.00
52
+ ATOM 52 C PTH 1 67.97 96.96 41.2 0.00 0.00
53
+ ATOM 53 C PTH 1 67.97 96.96 42.2 0.00 0.00
54
+ ATOM 54 C PTH 1 67.97 96.96 43.2 0.00 0.00
55
+ ATOM 55 C PTH 1 67.97 97.96 40.2 0.00 0.00
56
+ ATOM 56 C PTH 1 67.97 97.96 41.2 0.00 0.00
57
+ ATOM 57 C PTH 1 67.97 97.96 42.2 0.00 0.00
58
+ ATOM 58 C PTH 1 68.97 93.96 40.2 0.00 0.00
59
+ ATOM 59 C PTH 1 68.97 93.96 41.2 0.00 0.00
60
+ ATOM 60 C PTH 1 68.97 93.96 42.2 0.00 0.00
61
+ ATOM 61 C PTH 1 68.97 94.96 39.2 0.00 0.00
62
+ ATOM 62 C PTH 1 68.97 94.96 40.2 0.00 0.00
63
+ ATOM 63 C PTH 1 68.97 94.96 41.2 0.00 0.00
64
+ ATOM 64 C PTH 1 68.97 94.96 42.2 0.00 0.00
65
+ ATOM 65 C PTH 1 68.97 94.96 43.2 0.00 0.00
66
+ ATOM 66 C PTH 1 68.97 95.96 39.2 0.00 0.00
67
+ ATOM 67 C PTH 1 68.97 95.96 40.2 0.00 0.00
68
+ ATOM 68 C PTH 1 68.97 95.96 41.2 0.00 0.00
69
+ ATOM 69 C PTH 1 68.97 95.96 42.2 0.00 0.00
70
+ ATOM 70 C PTH 1 68.97 95.96 43.2 0.00 0.00
71
+ ATOM 71 C PTH 1 68.97 96.96 40.2 0.00 0.00
72
+ ATOM 72 C PTH 1 68.97 96.96 41.2 0.00 0.00
73
+ ATOM 73 C PTH 1 68.97 96.96 42.2 0.00 0.00
74
+ ATOM 74 C PTH 1 68.97 96.96 43.2 0.00 0.00
75
+ ATOM 75 C PTH 1 68.97 97.96 40.2 0.00 0.00
76
+ ATOM 76 C PTH 1 68.97 97.96 41.2 0.00 0.00
77
+ ATOM 77 C PTH 1 68.97 97.96 42.2 0.00 0.00
78
+ ATOM 78 C PTH 1 69.97 93.96 40.2 0.00 0.00
79
+ ATOM 79 C PTH 1 69.97 93.96 41.2 0.00 0.00
80
+ ATOM 80 C PTH 1 69.97 94.96 39.2 0.00 0.00
81
+ ATOM 81 C PTH 1 69.97 94.96 40.2 0.00 0.00
82
+ ATOM 82 C PTH 1 69.97 94.96 41.2 0.00 0.00
83
+ ATOM 83 C PTH 1 69.97 94.96 42.2 0.00 0.00
84
+ ATOM 84 C PTH 1 69.97 94.96 43.2 0.00 0.00
85
+ ATOM 85 C PTH 1 69.97 95.96 39.2 0.00 0.00
86
+ ATOM 86 C PTH 1 69.97 95.96 40.2 0.00 0.00
87
+ ATOM 87 C PTH 1 69.97 95.96 41.2 0.00 0.00
88
+ ATOM 88 C PTH 1 69.97 95.96 42.2 0.00 0.00
89
+ ATOM 89 C PTH 1 69.97 95.96 43.2 0.00 0.00
90
+ ATOM 90 C PTH 1 69.97 96.96 40.2 0.00 0.00
91
+ ATOM 91 C PTH 1 69.97 96.96 41.2 0.00 0.00
92
+ ATOM 92 C PTH 1 69.97 96.96 42.2 0.00 0.00
93
+ ATOM 93 C PTH 1 69.97 96.96 43.2 0.00 0.00
94
+ ATOM 94 C PTH 1 69.97 97.96 42.2 0.00 0.00
95
+ ATOM 95 C PTH 1 70.97 94.96 41.2 0.00 0.00
96
+ ATOM 96 C PTH 1 70.97 95.96 41.2 0.00 0.00
97
+ ATOM 97 C PTH 1 70.97 95.96 42.2 0.00 0.00
98
+ ATOM 98 C PTH 1 70.97 96.96 42.2 0.00 0.00
data/files/A000S/pocket_07.pdb ADDED
@@ -0,0 +1,92 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 40.97 83.96 33.2 0.00 0.00
2
+ ATOM 2 C PTH 1 40.97 83.96 34.2 0.00 0.00
3
+ ATOM 3 C PTH 1 40.97 83.96 35.2 0.00 0.00
4
+ ATOM 4 C PTH 1 40.97 83.96 36.2 0.00 0.00
5
+ ATOM 5 C PTH 1 40.97 84.96 33.2 0.00 0.00
6
+ ATOM 6 C PTH 1 40.97 84.96 34.2 0.00 0.00
7
+ ATOM 7 C PTH 1 40.97 84.96 35.2 0.00 0.00
8
+ ATOM 8 C PTH 1 40.97 84.96 36.2 0.00 0.00
9
+ ATOM 9 C PTH 1 40.97 85.96 34.2 0.00 0.00
10
+ ATOM 10 C PTH 1 40.97 85.96 35.2 0.00 0.00
11
+ ATOM 11 C PTH 1 40.97 85.96 36.2 0.00 0.00
12
+ ATOM 12 C PTH 1 40.97 86.96 34.2 0.00 0.00
13
+ ATOM 13 C PTH 1 40.97 86.96 35.2 0.00 0.00
14
+ ATOM 14 C PTH 1 40.97 86.96 36.2 0.00 0.00
15
+ ATOM 15 C PTH 1 41.97 82.96 33.2 0.00 0.00
16
+ ATOM 16 C PTH 1 41.97 82.96 34.2 0.00 0.00
17
+ ATOM 17 C PTH 1 41.97 82.96 35.2 0.00 0.00
18
+ ATOM 18 C PTH 1 41.97 82.96 36.2 0.00 0.00
19
+ ATOM 19 C PTH 1 41.97 83.96 33.2 0.00 0.00
20
+ ATOM 20 C PTH 1 41.97 83.96 34.2 0.00 0.00
21
+ ATOM 21 C PTH 1 41.97 83.96 35.2 0.00 0.00
22
+ ATOM 22 C PTH 1 41.97 83.96 36.2 0.00 0.00
23
+ ATOM 23 C PTH 1 41.97 84.96 33.2 0.00 0.00
24
+ ATOM 24 C PTH 1 41.97 84.96 34.2 0.00 0.00
25
+ ATOM 25 C PTH 1 41.97 84.96 35.2 0.00 0.00
26
+ ATOM 26 C PTH 1 41.97 84.96 36.2 0.00 0.00
27
+ ATOM 27 C PTH 1 41.97 85.96 33.2 0.00 0.00
28
+ ATOM 28 C PTH 1 41.97 85.96 34.2 0.00 0.00
29
+ ATOM 29 C PTH 1 41.97 85.96 35.2 0.00 0.00
30
+ ATOM 30 C PTH 1 41.97 85.96 36.2 0.00 0.00
31
+ ATOM 31 C PTH 1 41.97 86.96 33.2 0.00 0.00
32
+ ATOM 32 C PTH 1 41.97 86.96 34.2 0.00 0.00
33
+ ATOM 33 C PTH 1 41.97 86.96 35.2 0.00 0.00
34
+ ATOM 34 C PTH 1 41.97 86.96 36.2 0.00 0.00
35
+ ATOM 35 C PTH 1 42.97 81.96 32.2 0.00 0.00
36
+ ATOM 36 C PTH 1 42.97 81.96 33.2 0.00 0.00
37
+ ATOM 37 C PTH 1 42.97 81.96 34.2 0.00 0.00
38
+ ATOM 38 C PTH 1 42.97 82.96 32.2 0.00 0.00
39
+ ATOM 39 C PTH 1 42.97 82.96 33.2 0.00 0.00
40
+ ATOM 40 C PTH 1 42.97 82.96 34.2 0.00 0.00
41
+ ATOM 41 C PTH 1 42.97 82.96 35.2 0.00 0.00
42
+ ATOM 42 C PTH 1 42.97 82.96 36.2 0.00 0.00
43
+ ATOM 43 C PTH 1 42.97 83.96 32.2 0.00 0.00
44
+ ATOM 44 C PTH 1 42.97 83.96 33.2 0.00 0.00
45
+ ATOM 45 C PTH 1 42.97 83.96 34.2 0.00 0.00
46
+ ATOM 46 C PTH 1 42.97 83.96 35.2 0.00 0.00
47
+ ATOM 47 C PTH 1 42.97 83.96 36.2 0.00 0.00
48
+ ATOM 48 C PTH 1 42.97 84.96 33.2 0.00 0.00
49
+ ATOM 49 C PTH 1 42.97 84.96 34.2 0.00 0.00
50
+ ATOM 50 C PTH 1 42.97 84.96 35.2 0.00 0.00
51
+ ATOM 51 C PTH 1 42.97 84.96 36.2 0.00 0.00
52
+ ATOM 52 C PTH 1 42.97 85.96 33.2 0.00 0.00
53
+ ATOM 53 C PTH 1 42.97 85.96 34.2 0.00 0.00
54
+ ATOM 54 C PTH 1 42.97 85.96 35.2 0.00 0.00
55
+ ATOM 55 C PTH 1 42.97 85.96 36.2 0.00 0.00
56
+ ATOM 56 C PTH 1 42.97 86.96 33.2 0.00 0.00
57
+ ATOM 57 C PTH 1 42.97 86.96 34.2 0.00 0.00
58
+ ATOM 58 C PTH 1 42.97 86.96 35.2 0.00 0.00
59
+ ATOM 59 C PTH 1 42.97 86.96 36.2 0.00 0.00
60
+ ATOM 60 C PTH 1 43.97 81.96 32.2 0.00 0.00
61
+ ATOM 61 C PTH 1 43.97 81.96 33.2 0.00 0.00
62
+ ATOM 62 C PTH 1 43.97 81.96 34.2 0.00 0.00
63
+ ATOM 63 C PTH 1 43.97 82.96 32.2 0.00 0.00
64
+ ATOM 64 C PTH 1 43.97 82.96 33.2 0.00 0.00
65
+ ATOM 65 C PTH 1 43.97 82.96 34.2 0.00 0.00
66
+ ATOM 66 C PTH 1 43.97 82.96 35.2 0.00 0.00
67
+ ATOM 67 C PTH 1 43.97 83.96 32.2 0.00 0.00
68
+ ATOM 68 C PTH 1 43.97 83.96 33.2 0.00 0.00
69
+ ATOM 69 C PTH 1 43.97 83.96 34.2 0.00 0.00
70
+ ATOM 70 C PTH 1 43.97 83.96 35.2 0.00 0.00
71
+ ATOM 71 C PTH 1 43.97 83.96 36.2 0.00 0.00
72
+ ATOM 72 C PTH 1 43.97 84.96 33.2 0.00 0.00
73
+ ATOM 73 C PTH 1 43.97 84.96 34.2 0.00 0.00
74
+ ATOM 74 C PTH 1 43.97 84.96 35.2 0.00 0.00
75
+ ATOM 75 C PTH 1 43.97 84.96 36.2 0.00 0.00
76
+ ATOM 76 C PTH 1 43.97 85.96 33.2 0.00 0.00
77
+ ATOM 77 C PTH 1 43.97 85.96 34.2 0.00 0.00
78
+ ATOM 78 C PTH 1 43.97 85.96 35.2 0.00 0.00
79
+ ATOM 79 C PTH 1 43.97 85.96 36.2 0.00 0.00
80
+ ATOM 80 C PTH 1 43.97 86.96 33.2 0.00 0.00
81
+ ATOM 81 C PTH 1 43.97 86.96 34.2 0.00 0.00
82
+ ATOM 82 C PTH 1 43.97 86.96 35.2 0.00 0.00
83
+ ATOM 83 C PTH 1 44.97 81.96 32.2 0.00 0.00
84
+ ATOM 84 C PTH 1 44.97 81.96 33.2 0.00 0.00
85
+ ATOM 85 C PTH 1 44.97 81.96 34.2 0.00 0.00
86
+ ATOM 86 C PTH 1 44.97 82.96 32.2 0.00 0.00
87
+ ATOM 87 C PTH 1 44.97 82.96 33.2 0.00 0.00
88
+ ATOM 88 C PTH 1 44.97 82.96 34.2 0.00 0.00
89
+ ATOM 89 C PTH 1 44.97 83.96 33.2 0.00 0.00
90
+ ATOM 90 C PTH 1 44.97 83.96 34.2 0.00 0.00
91
+ ATOM 91 C PTH 1 44.97 84.96 33.2 0.00 0.00
92
+ ATOM 92 C PTH 1 44.97 84.96 34.2 0.00 0.00
data/files/A000S/pocket_08.pdb ADDED
@@ -0,0 +1,75 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 49.97 98.96 20.2 0.00 0.00
2
+ ATOM 2 C PTH 1 50.97 95.96 17.2 0.00 0.00
3
+ ATOM 3 C PTH 1 50.97 95.96 18.2 0.00 0.00
4
+ ATOM 4 C PTH 1 50.97 95.96 19.2 0.00 0.00
5
+ ATOM 5 C PTH 1 50.97 96.96 17.2 0.00 0.00
6
+ ATOM 6 C PTH 1 50.97 96.96 18.2 0.00 0.00
7
+ ATOM 7 C PTH 1 50.97 96.96 19.2 0.00 0.00
8
+ ATOM 8 C PTH 1 50.97 96.96 20.2 0.00 0.00
9
+ ATOM 9 C PTH 1 50.97 96.96 21.2 0.00 0.00
10
+ ATOM 10 C PTH 1 50.97 97.96 18.2 0.00 0.00
11
+ ATOM 11 C PTH 1 50.97 97.96 19.2 0.00 0.00
12
+ ATOM 12 C PTH 1 50.97 97.96 20.2 0.00 0.00
13
+ ATOM 13 C PTH 1 50.97 97.96 21.2 0.00 0.00
14
+ ATOM 14 C PTH 1 50.97 98.96 18.2 0.00 0.00
15
+ ATOM 15 C PTH 1 50.97 98.96 19.2 0.00 0.00
16
+ ATOM 16 C PTH 1 50.97 98.96 20.2 0.00 0.00
17
+ ATOM 17 C PTH 1 50.97 98.96 21.2 0.00 0.00
18
+ ATOM 18 C PTH 1 50.97 99.96 18.2 0.00 0.00
19
+ ATOM 19 C PTH 1 50.97 99.96 19.2 0.00 0.00
20
+ ATOM 20 C PTH 1 50.97 99.96 20.2 0.00 0.00
21
+ ATOM 21 C PTH 1 50.97 99.96 21.2 0.00 0.00
22
+ ATOM 22 C PTH 1 50.97 100.96 19.2 0.00 0.00
23
+ ATOM 23 C PTH 1 51.97 95.96 17.2 0.00 0.00
24
+ ATOM 24 C PTH 1 51.97 95.96 18.2 0.00 0.00
25
+ ATOM 25 C PTH 1 51.97 95.96 19.2 0.00 0.00
26
+ ATOM 26 C PTH 1 51.97 96.96 17.2 0.00 0.00
27
+ ATOM 27 C PTH 1 51.97 96.96 18.2 0.00 0.00
28
+ ATOM 28 C PTH 1 51.97 96.96 19.2 0.00 0.00
29
+ ATOM 29 C PTH 1 51.97 96.96 20.2 0.00 0.00
30
+ ATOM 30 C PTH 1 51.97 96.96 21.2 0.00 0.00
31
+ ATOM 31 C PTH 1 51.97 97.96 17.2 0.00 0.00
32
+ ATOM 32 C PTH 1 51.97 97.96 18.2 0.00 0.00
33
+ ATOM 33 C PTH 1 51.97 97.96 19.2 0.00 0.00
34
+ ATOM 34 C PTH 1 51.97 97.96 20.2 0.00 0.00
35
+ ATOM 35 C PTH 1 51.97 97.96 21.2 0.00 0.00
36
+ ATOM 36 C PTH 1 51.97 98.96 18.2 0.00 0.00
37
+ ATOM 37 C PTH 1 51.97 98.96 19.2 0.00 0.00
38
+ ATOM 38 C PTH 1 51.97 98.96 20.2 0.00 0.00
39
+ ATOM 39 C PTH 1 51.97 98.96 21.2 0.00 0.00
40
+ ATOM 40 C PTH 1 51.97 99.96 18.2 0.00 0.00
41
+ ATOM 41 C PTH 1 51.97 99.96 19.2 0.00 0.00
42
+ ATOM 42 C PTH 1 51.97 99.96 20.2 0.00 0.00
43
+ ATOM 43 C PTH 1 51.97 99.96 21.2 0.00 0.00
44
+ ATOM 44 C PTH 1 51.97 100.96 19.2 0.00 0.00
45
+ ATOM 45 C PTH 1 51.97 100.96 20.2 0.00 0.00
46
+ ATOM 46 C PTH 1 52.97 95.96 17.2 0.00 0.00
47
+ ATOM 47 C PTH 1 52.97 95.96 18.2 0.00 0.00
48
+ ATOM 48 C PTH 1 52.97 95.96 19.2 0.00 0.00
49
+ ATOM 49 C PTH 1 52.97 96.96 17.2 0.00 0.00
50
+ ATOM 50 C PTH 1 52.97 96.96 18.2 0.00 0.00
51
+ ATOM 51 C PTH 1 52.97 96.96 19.2 0.00 0.00
52
+ ATOM 52 C PTH 1 52.97 96.96 20.2 0.00 0.00
53
+ ATOM 53 C PTH 1 52.97 97.96 17.2 0.00 0.00
54
+ ATOM 54 C PTH 1 52.97 97.96 18.2 0.00 0.00
55
+ ATOM 55 C PTH 1 52.97 97.96 19.2 0.00 0.00
56
+ ATOM 56 C PTH 1 52.97 97.96 20.2 0.00 0.00
57
+ ATOM 57 C PTH 1 52.97 97.96 21.2 0.00 0.00
58
+ ATOM 58 C PTH 1 52.97 98.96 18.2 0.00 0.00
59
+ ATOM 59 C PTH 1 52.97 98.96 19.2 0.00 0.00
60
+ ATOM 60 C PTH 1 52.97 98.96 20.2 0.00 0.00
61
+ ATOM 61 C PTH 1 52.97 98.96 21.2 0.00 0.00
62
+ ATOM 62 C PTH 1 52.97 99.96 18.2 0.00 0.00
63
+ ATOM 63 C PTH 1 52.97 99.96 19.2 0.00 0.00
64
+ ATOM 64 C PTH 1 52.97 99.96 20.2 0.00 0.00
65
+ ATOM 65 C PTH 1 52.97 99.96 21.2 0.00 0.00
66
+ ATOM 66 C PTH 1 52.97 100.96 19.2 0.00 0.00
67
+ ATOM 67 C PTH 1 52.97 100.96 20.2 0.00 0.00
68
+ ATOM 68 C PTH 1 53.97 95.96 17.2 0.00 0.00
69
+ ATOM 69 C PTH 1 53.97 96.96 17.2 0.00 0.00
70
+ ATOM 70 C PTH 1 53.97 96.96 18.2 0.00 0.00
71
+ ATOM 71 C PTH 1 53.97 97.96 17.2 0.00 0.00
72
+ ATOM 72 C PTH 1 53.97 97.96 18.2 0.00 0.00
73
+ ATOM 73 C PTH 1 53.97 97.96 19.2 0.00 0.00
74
+ ATOM 74 C PTH 1 53.97 97.96 20.2 0.00 0.00
75
+ ATOM 75 C PTH 1 53.97 98.96 20.2 0.00 0.00
data/files/A000S/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A000T/pocket_01.pdb ADDED
@@ -0,0 +1,579 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 96.93 61.05 41.75 0.00 0.00
2
+ ATOM 2 C PTH 1 96.93 62.05 40.75 0.00 0.00
3
+ ATOM 3 C PTH 1 96.93 62.05 41.75 0.00 0.00
4
+ ATOM 4 C PTH 1 96.93 62.05 42.75 0.00 0.00
5
+ ATOM 5 C PTH 1 96.93 63.05 40.75 0.00 0.00
6
+ ATOM 6 C PTH 1 96.93 63.05 41.75 0.00 0.00
7
+ ATOM 7 C PTH 1 96.93 63.05 42.75 0.00 0.00
8
+ ATOM 8 C PTH 1 96.93 64.05 41.75 0.00 0.00
9
+ ATOM 9 C PTH 1 96.93 64.05 42.75 0.00 0.00
10
+ ATOM 10 C PTH 1 96.93 64.05 43.75 0.00 0.00
11
+ ATOM 11 C PTH 1 96.93 65.05 42.75 0.00 0.00
12
+ ATOM 12 C PTH 1 96.93 65.05 43.75 0.00 0.00
13
+ ATOM 13 C PTH 1 96.93 66.05 43.75 0.00 0.00
14
+ ATOM 14 C PTH 1 97.93 57.05 37.75 0.00 0.00
15
+ ATOM 15 C PTH 1 97.93 57.05 38.75 0.00 0.00
16
+ ATOM 16 C PTH 1 97.93 57.05 39.75 0.00 0.00
17
+ ATOM 17 C PTH 1 97.93 58.05 37.75 0.00 0.00
18
+ ATOM 18 C PTH 1 97.93 58.05 38.75 0.00 0.00
19
+ ATOM 19 C PTH 1 97.93 58.05 39.75 0.00 0.00
20
+ ATOM 20 C PTH 1 97.93 59.05 38.75 0.00 0.00
21
+ ATOM 21 C PTH 1 97.93 60.05 40.75 0.00 0.00
22
+ ATOM 22 C PTH 1 97.93 61.05 39.75 0.00 0.00
23
+ ATOM 23 C PTH 1 97.93 61.05 40.75 0.00 0.00
24
+ ATOM 24 C PTH 1 97.93 61.05 41.75 0.00 0.00
25
+ ATOM 25 C PTH 1 97.93 61.05 42.75 0.00 0.00
26
+ ATOM 26 C PTH 1 97.93 61.05 43.75 0.00 0.00
27
+ ATOM 27 C PTH 1 97.93 62.05 39.75 0.00 0.00
28
+ ATOM 28 C PTH 1 97.93 62.05 40.75 0.00 0.00
29
+ ATOM 29 C PTH 1 97.93 62.05 41.75 0.00 0.00
30
+ ATOM 30 C PTH 1 97.93 62.05 42.75 0.00 0.00
31
+ ATOM 31 C PTH 1 97.93 62.05 43.75 0.00 0.00
32
+ ATOM 32 C PTH 1 97.93 63.05 39.75 0.00 0.00
33
+ ATOM 33 C PTH 1 97.93 63.05 40.75 0.00 0.00
34
+ ATOM 34 C PTH 1 97.93 63.05 41.75 0.00 0.00
35
+ ATOM 35 C PTH 1 97.93 63.05 42.75 0.00 0.00
36
+ ATOM 36 C PTH 1 97.93 63.05 43.75 0.00 0.00
37
+ ATOM 37 C PTH 1 97.93 64.05 40.75 0.00 0.00
38
+ ATOM 38 C PTH 1 97.93 64.05 41.75 0.00 0.00
39
+ ATOM 39 C PTH 1 97.93 64.05 42.75 0.00 0.00
40
+ ATOM 40 C PTH 1 97.93 64.05 43.75 0.00 0.00
41
+ ATOM 41 C PTH 1 97.93 64.05 44.75 0.00 0.00
42
+ ATOM 42 C PTH 1 97.93 65.05 40.75 0.00 0.00
43
+ ATOM 43 C PTH 1 97.93 65.05 41.75 0.00 0.00
44
+ ATOM 44 C PTH 1 97.93 65.05 42.75 0.00 0.00
45
+ ATOM 45 C PTH 1 97.93 65.05 43.75 0.00 0.00
46
+ ATOM 46 C PTH 1 97.93 65.05 44.75 0.00 0.00
47
+ ATOM 47 C PTH 1 97.93 66.05 42.75 0.00 0.00
48
+ ATOM 48 C PTH 1 97.93 66.05 43.75 0.00 0.00
49
+ ATOM 49 C PTH 1 97.93 66.05 44.75 0.00 0.00
50
+ ATOM 50 C PTH 1 97.93 67.05 43.75 0.00 0.00
51
+ ATOM 51 C PTH 1 97.93 67.05 44.75 0.00 0.00
52
+ ATOM 52 C PTH 1 97.93 67.05 45.75 0.00 0.00
53
+ ATOM 53 C PTH 1 98.93 55.05 36.75 0.00 0.00
54
+ ATOM 54 C PTH 1 98.93 55.05 37.75 0.00 0.00
55
+ ATOM 55 C PTH 1 98.93 55.05 38.75 0.00 0.00
56
+ ATOM 56 C PTH 1 98.93 56.05 36.75 0.00 0.00
57
+ ATOM 57 C PTH 1 98.93 56.05 37.75 0.00 0.00
58
+ ATOM 58 C PTH 1 98.93 56.05 38.75 0.00 0.00
59
+ ATOM 59 C PTH 1 98.93 57.05 36.75 0.00 0.00
60
+ ATOM 60 C PTH 1 98.93 57.05 37.75 0.00 0.00
61
+ ATOM 61 C PTH 1 98.93 57.05 38.75 0.00 0.00
62
+ ATOM 62 C PTH 1 98.93 57.05 39.75 0.00 0.00
63
+ ATOM 63 C PTH 1 98.93 58.05 36.75 0.00 0.00
64
+ ATOM 64 C PTH 1 98.93 58.05 37.75 0.00 0.00
65
+ ATOM 65 C PTH 1 98.93 58.05 38.75 0.00 0.00
66
+ ATOM 66 C PTH 1 98.93 58.05 39.75 0.00 0.00
67
+ ATOM 67 C PTH 1 98.93 58.05 40.75 0.00 0.00
68
+ ATOM 68 C PTH 1 98.93 59.05 36.75 0.00 0.00
69
+ ATOM 69 C PTH 1 98.93 59.05 37.75 0.00 0.00
70
+ ATOM 70 C PTH 1 98.93 59.05 38.75 0.00 0.00
71
+ ATOM 71 C PTH 1 98.93 59.05 39.75 0.00 0.00
72
+ ATOM 72 C PTH 1 98.93 59.05 40.75 0.00 0.00
73
+ ATOM 73 C PTH 1 98.93 59.05 41.75 0.00 0.00
74
+ ATOM 74 C PTH 1 98.93 60.05 36.75 0.00 0.00
75
+ ATOM 75 C PTH 1 98.93 60.05 37.75 0.00 0.00
76
+ ATOM 76 C PTH 1 98.93 60.05 38.75 0.00 0.00
77
+ ATOM 77 C PTH 1 98.93 60.05 39.75 0.00 0.00
78
+ ATOM 78 C PTH 1 98.93 60.05 40.75 0.00 0.00
79
+ ATOM 79 C PTH 1 98.93 60.05 41.75 0.00 0.00
80
+ ATOM 80 C PTH 1 98.93 60.05 42.75 0.00 0.00
81
+ ATOM 81 C PTH 1 98.93 61.05 39.75 0.00 0.00
82
+ ATOM 82 C PTH 1 98.93 61.05 40.75 0.00 0.00
83
+ ATOM 83 C PTH 1 98.93 61.05 41.75 0.00 0.00
84
+ ATOM 84 C PTH 1 98.93 61.05 42.75 0.00 0.00
85
+ ATOM 85 C PTH 1 98.93 61.05 43.75 0.00 0.00
86
+ ATOM 86 C PTH 1 98.93 62.05 39.75 0.00 0.00
87
+ ATOM 87 C PTH 1 98.93 62.05 40.75 0.00 0.00
88
+ ATOM 88 C PTH 1 98.93 62.05 41.75 0.00 0.00
89
+ ATOM 89 C PTH 1 98.93 62.05 42.75 0.00 0.00
90
+ ATOM 90 C PTH 1 98.93 62.05 43.75 0.00 0.00
91
+ ATOM 91 C PTH 1 98.93 63.05 39.75 0.00 0.00
92
+ ATOM 92 C PTH 1 98.93 63.05 40.75 0.00 0.00
93
+ ATOM 93 C PTH 1 98.93 63.05 41.75 0.00 0.00
94
+ ATOM 94 C PTH 1 98.93 63.05 42.75 0.00 0.00
95
+ ATOM 95 C PTH 1 98.93 63.05 43.75 0.00 0.00
96
+ ATOM 96 C PTH 1 98.93 64.05 39.75 0.00 0.00
97
+ ATOM 97 C PTH 1 98.93 64.05 40.75 0.00 0.00
98
+ ATOM 98 C PTH 1 98.93 64.05 41.75 0.00 0.00
99
+ ATOM 99 C PTH 1 98.93 64.05 42.75 0.00 0.00
100
+ ATOM 100 C PTH 1 98.93 64.05 43.75 0.00 0.00
101
+ ATOM 101 C PTH 1 98.93 64.05 44.75 0.00 0.00
102
+ ATOM 102 C PTH 1 98.93 65.05 40.75 0.00 0.00
103
+ ATOM 103 C PTH 1 98.93 65.05 41.75 0.00 0.00
104
+ ATOM 104 C PTH 1 98.93 65.05 42.75 0.00 0.00
105
+ ATOM 105 C PTH 1 98.93 65.05 43.75 0.00 0.00
106
+ ATOM 106 C PTH 1 98.93 65.05 44.75 0.00 0.00
107
+ ATOM 107 C PTH 1 98.93 66.05 41.75 0.00 0.00
108
+ ATOM 108 C PTH 1 98.93 66.05 42.75 0.00 0.00
109
+ ATOM 109 C PTH 1 98.93 66.05 43.75 0.00 0.00
110
+ ATOM 110 C PTH 1 98.93 66.05 44.75 0.00 0.00
111
+ ATOM 111 C PTH 1 98.93 67.05 44.75 0.00 0.00
112
+ ATOM 112 C PTH 1 99.93 55.05 35.75 0.00 0.00
113
+ ATOM 113 C PTH 1 99.93 55.05 36.75 0.00 0.00
114
+ ATOM 114 C PTH 1 99.93 55.05 37.75 0.00 0.00
115
+ ATOM 115 C PTH 1 99.93 55.05 38.75 0.00 0.00
116
+ ATOM 116 C PTH 1 99.93 56.05 35.75 0.00 0.00
117
+ ATOM 117 C PTH 1 99.93 56.05 36.75 0.00 0.00
118
+ ATOM 118 C PTH 1 99.93 56.05 37.75 0.00 0.00
119
+ ATOM 119 C PTH 1 99.93 56.05 38.75 0.00 0.00
120
+ ATOM 120 C PTH 1 99.93 57.05 35.75 0.00 0.00
121
+ ATOM 121 C PTH 1 99.93 57.05 36.75 0.00 0.00
122
+ ATOM 122 C PTH 1 99.93 57.05 37.75 0.00 0.00
123
+ ATOM 123 C PTH 1 99.93 57.05 38.75 0.00 0.00
124
+ ATOM 124 C PTH 1 99.93 57.05 39.75 0.00 0.00
125
+ ATOM 125 C PTH 1 99.93 58.05 35.75 0.00 0.00
126
+ ATOM 126 C PTH 1 99.93 58.05 36.75 0.00 0.00
127
+ ATOM 127 C PTH 1 99.93 58.05 37.75 0.00 0.00
128
+ ATOM 128 C PTH 1 99.93 58.05 38.75 0.00 0.00
129
+ ATOM 129 C PTH 1 99.93 58.05 39.75 0.00 0.00
130
+ ATOM 130 C PTH 1 99.93 58.05 40.75 0.00 0.00
131
+ ATOM 131 C PTH 1 99.93 58.05 41.75 0.00 0.00
132
+ ATOM 132 C PTH 1 99.93 59.05 35.75 0.00 0.00
133
+ ATOM 133 C PTH 1 99.93 59.05 36.75 0.00 0.00
134
+ ATOM 134 C PTH 1 99.93 59.05 37.75 0.00 0.00
135
+ ATOM 135 C PTH 1 99.93 59.05 38.75 0.00 0.00
136
+ ATOM 136 C PTH 1 99.93 59.05 39.75 0.00 0.00
137
+ ATOM 137 C PTH 1 99.93 59.05 40.75 0.00 0.00
138
+ ATOM 138 C PTH 1 99.93 59.05 41.75 0.00 0.00
139
+ ATOM 139 C PTH 1 99.93 59.05 42.75 0.00 0.00
140
+ ATOM 140 C PTH 1 99.93 60.05 36.75 0.00 0.00
141
+ ATOM 141 C PTH 1 99.93 60.05 37.75 0.00 0.00
142
+ ATOM 142 C PTH 1 99.93 60.05 38.75 0.00 0.00
143
+ ATOM 143 C PTH 1 99.93 60.05 39.75 0.00 0.00
144
+ ATOM 144 C PTH 1 99.93 60.05 40.75 0.00 0.00
145
+ ATOM 145 C PTH 1 99.93 60.05 41.75 0.00 0.00
146
+ ATOM 146 C PTH 1 99.93 60.05 42.75 0.00 0.00
147
+ ATOM 147 C PTH 1 99.93 61.05 39.75 0.00 0.00
148
+ ATOM 148 C PTH 1 99.93 61.05 40.75 0.00 0.00
149
+ ATOM 149 C PTH 1 99.93 61.05 41.75 0.00 0.00
150
+ ATOM 150 C PTH 1 99.93 61.05 42.75 0.00 0.00
151
+ ATOM 151 C PTH 1 99.93 61.05 43.75 0.00 0.00
152
+ ATOM 152 C PTH 1 99.93 62.05 39.75 0.00 0.00
153
+ ATOM 153 C PTH 1 99.93 62.05 40.75 0.00 0.00
154
+ ATOM 154 C PTH 1 99.93 62.05 41.75 0.00 0.00
155
+ ATOM 155 C PTH 1 99.93 62.05 42.75 0.00 0.00
156
+ ATOM 156 C PTH 1 99.93 62.05 43.75 0.00 0.00
157
+ ATOM 157 C PTH 1 99.93 63.05 39.75 0.00 0.00
158
+ ATOM 158 C PTH 1 99.93 63.05 40.75 0.00 0.00
159
+ ATOM 159 C PTH 1 99.93 63.05 41.75 0.00 0.00
160
+ ATOM 160 C PTH 1 99.93 63.05 42.75 0.00 0.00
161
+ ATOM 161 C PTH 1 99.93 63.05 43.75 0.00 0.00
162
+ ATOM 162 C PTH 1 99.93 64.05 39.75 0.00 0.00
163
+ ATOM 163 C PTH 1 99.93 64.05 40.75 0.00 0.00
164
+ ATOM 164 C PTH 1 99.93 64.05 41.75 0.00 0.00
165
+ ATOM 165 C PTH 1 99.93 64.05 42.75 0.00 0.00
166
+ ATOM 166 C PTH 1 99.93 64.05 43.75 0.00 0.00
167
+ ATOM 167 C PTH 1 99.93 64.05 44.75 0.00 0.00
168
+ ATOM 168 C PTH 1 99.93 65.05 40.75 0.00 0.00
169
+ ATOM 169 C PTH 1 99.93 65.05 41.75 0.00 0.00
170
+ ATOM 170 C PTH 1 99.93 65.05 42.75 0.00 0.00
171
+ ATOM 171 C PTH 1 99.93 65.05 43.75 0.00 0.00
172
+ ATOM 172 C PTH 1 99.93 65.05 44.75 0.00 0.00
173
+ ATOM 173 C PTH 1 99.93 66.05 40.75 0.00 0.00
174
+ ATOM 174 C PTH 1 99.93 66.05 41.75 0.00 0.00
175
+ ATOM 175 C PTH 1 99.93 66.05 42.75 0.00 0.00
176
+ ATOM 176 C PTH 1 99.93 66.05 43.75 0.00 0.00
177
+ ATOM 177 C PTH 1 99.93 66.05 44.75 0.00 0.00
178
+ ATOM 178 C PTH 1 100.93 55.05 35.75 0.00 0.00
179
+ ATOM 179 C PTH 1 100.93 55.05 36.75 0.00 0.00
180
+ ATOM 180 C PTH 1 100.93 55.05 37.75 0.00 0.00
181
+ ATOM 181 C PTH 1 100.93 56.05 35.75 0.00 0.00
182
+ ATOM 182 C PTH 1 100.93 56.05 36.75 0.00 0.00
183
+ ATOM 183 C PTH 1 100.93 56.05 37.75 0.00 0.00
184
+ ATOM 184 C PTH 1 100.93 56.05 38.75 0.00 0.00
185
+ ATOM 185 C PTH 1 100.93 57.05 35.75 0.00 0.00
186
+ ATOM 186 C PTH 1 100.93 57.05 36.75 0.00 0.00
187
+ ATOM 187 C PTH 1 100.93 57.05 37.75 0.00 0.00
188
+ ATOM 188 C PTH 1 100.93 57.05 38.75 0.00 0.00
189
+ ATOM 189 C PTH 1 100.93 57.05 39.75 0.00 0.00
190
+ ATOM 190 C PTH 1 100.93 58.05 35.75 0.00 0.00
191
+ ATOM 191 C PTH 1 100.93 58.05 36.75 0.00 0.00
192
+ ATOM 192 C PTH 1 100.93 58.05 37.75 0.00 0.00
193
+ ATOM 193 C PTH 1 100.93 58.05 38.75 0.00 0.00
194
+ ATOM 194 C PTH 1 100.93 58.05 39.75 0.00 0.00
195
+ ATOM 195 C PTH 1 100.93 58.05 40.75 0.00 0.00
196
+ ATOM 196 C PTH 1 100.93 58.05 41.75 0.00 0.00
197
+ ATOM 197 C PTH 1 100.93 59.05 35.75 0.00 0.00
198
+ ATOM 198 C PTH 1 100.93 59.05 36.75 0.00 0.00
199
+ ATOM 199 C PTH 1 100.93 59.05 37.75 0.00 0.00
200
+ ATOM 200 C PTH 1 100.93 59.05 38.75 0.00 0.00
201
+ ATOM 201 C PTH 1 100.93 59.05 39.75 0.00 0.00
202
+ ATOM 202 C PTH 1 100.93 59.05 40.75 0.00 0.00
203
+ ATOM 203 C PTH 1 100.93 59.05 41.75 0.00 0.00
204
+ ATOM 204 C PTH 1 100.93 59.05 42.75 0.00 0.00
205
+ ATOM 205 C PTH 1 100.93 60.05 35.75 0.00 0.00
206
+ ATOM 206 C PTH 1 100.93 60.05 36.75 0.00 0.00
207
+ ATOM 207 C PTH 1 100.93 60.05 37.75 0.00 0.00
208
+ ATOM 208 C PTH 1 100.93 60.05 38.75 0.00 0.00
209
+ ATOM 209 C PTH 1 100.93 60.05 39.75 0.00 0.00
210
+ ATOM 210 C PTH 1 100.93 60.05 40.75 0.00 0.00
211
+ ATOM 211 C PTH 1 100.93 60.05 41.75 0.00 0.00
212
+ ATOM 212 C PTH 1 100.93 60.05 42.75 0.00 0.00
213
+ ATOM 213 C PTH 1 100.93 61.05 38.75 0.00 0.00
214
+ ATOM 214 C PTH 1 100.93 61.05 39.75 0.00 0.00
215
+ ATOM 215 C PTH 1 100.93 61.05 40.75 0.00 0.00
216
+ ATOM 216 C PTH 1 100.93 61.05 41.75 0.00 0.00
217
+ ATOM 217 C PTH 1 100.93 61.05 42.75 0.00 0.00
218
+ ATOM 218 C PTH 1 100.93 61.05 43.75 0.00 0.00
219
+ ATOM 219 C PTH 1 100.93 62.05 39.75 0.00 0.00
220
+ ATOM 220 C PTH 1 100.93 62.05 40.75 0.00 0.00
221
+ ATOM 221 C PTH 1 100.93 62.05 41.75 0.00 0.00
222
+ ATOM 222 C PTH 1 100.93 62.05 42.75 0.00 0.00
223
+ ATOM 223 C PTH 1 100.93 62.05 43.75 0.00 0.00
224
+ ATOM 224 C PTH 1 100.93 63.05 39.75 0.00 0.00
225
+ ATOM 225 C PTH 1 100.93 63.05 40.75 0.00 0.00
226
+ ATOM 226 C PTH 1 100.93 63.05 41.75 0.00 0.00
227
+ ATOM 227 C PTH 1 100.93 63.05 42.75 0.00 0.00
228
+ ATOM 228 C PTH 1 100.93 63.05 43.75 0.00 0.00
229
+ ATOM 229 C PTH 1 100.93 64.05 39.75 0.00 0.00
230
+ ATOM 230 C PTH 1 100.93 64.05 40.75 0.00 0.00
231
+ ATOM 231 C PTH 1 100.93 64.05 41.75 0.00 0.00
232
+ ATOM 232 C PTH 1 100.93 64.05 42.75 0.00 0.00
233
+ ATOM 233 C PTH 1 100.93 64.05 43.75 0.00 0.00
234
+ ATOM 234 C PTH 1 100.93 65.05 40.75 0.00 0.00
235
+ ATOM 235 C PTH 1 100.93 65.05 41.75 0.00 0.00
236
+ ATOM 236 C PTH 1 100.93 65.05 42.75 0.00 0.00
237
+ ATOM 237 C PTH 1 100.93 65.05 43.75 0.00 0.00
238
+ ATOM 238 C PTH 1 100.93 66.05 40.75 0.00 0.00
239
+ ATOM 239 C PTH 1 100.93 66.05 41.75 0.00 0.00
240
+ ATOM 240 C PTH 1 100.93 66.05 42.75 0.00 0.00
241
+ ATOM 241 C PTH 1 100.93 66.05 43.75 0.00 0.00
242
+ ATOM 242 C PTH 1 101.93 56.05 35.75 0.00 0.00
243
+ ATOM 243 C PTH 1 101.93 56.05 36.75 0.00 0.00
244
+ ATOM 244 C PTH 1 101.93 56.05 37.75 0.00 0.00
245
+ ATOM 245 C PTH 1 101.93 57.05 35.75 0.00 0.00
246
+ ATOM 246 C PTH 1 101.93 57.05 36.75 0.00 0.00
247
+ ATOM 247 C PTH 1 101.93 57.05 37.75 0.00 0.00
248
+ ATOM 248 C PTH 1 101.93 57.05 38.75 0.00 0.00
249
+ ATOM 249 C PTH 1 101.93 58.05 35.75 0.00 0.00
250
+ ATOM 250 C PTH 1 101.93 58.05 36.75 0.00 0.00
251
+ ATOM 251 C PTH 1 101.93 58.05 37.75 0.00 0.00
252
+ ATOM 252 C PTH 1 101.93 58.05 38.75 0.00 0.00
253
+ ATOM 253 C PTH 1 101.93 58.05 39.75 0.00 0.00
254
+ ATOM 254 C PTH 1 101.93 58.05 40.75 0.00 0.00
255
+ ATOM 255 C PTH 1 101.93 58.05 41.75 0.00 0.00
256
+ ATOM 256 C PTH 1 101.93 59.05 35.75 0.00 0.00
257
+ ATOM 257 C PTH 1 101.93 59.05 36.75 0.00 0.00
258
+ ATOM 258 C PTH 1 101.93 59.05 37.75 0.00 0.00
259
+ ATOM 259 C PTH 1 101.93 59.05 38.75 0.00 0.00
260
+ ATOM 260 C PTH 1 101.93 59.05 39.75 0.00 0.00
261
+ ATOM 261 C PTH 1 101.93 59.05 40.75 0.00 0.00
262
+ ATOM 262 C PTH 1 101.93 59.05 41.75 0.00 0.00
263
+ ATOM 263 C PTH 1 101.93 59.05 42.75 0.00 0.00
264
+ ATOM 264 C PTH 1 101.93 60.05 35.75 0.00 0.00
265
+ ATOM 265 C PTH 1 101.93 60.05 36.75 0.00 0.00
266
+ ATOM 266 C PTH 1 101.93 60.05 37.75 0.00 0.00
267
+ ATOM 267 C PTH 1 101.93 60.05 38.75 0.00 0.00
268
+ ATOM 268 C PTH 1 101.93 60.05 39.75 0.00 0.00
269
+ ATOM 269 C PTH 1 101.93 60.05 40.75 0.00 0.00
270
+ ATOM 270 C PTH 1 101.93 60.05 41.75 0.00 0.00
271
+ ATOM 271 C PTH 1 101.93 60.05 42.75 0.00 0.00
272
+ ATOM 272 C PTH 1 101.93 60.05 43.75 0.00 0.00
273
+ ATOM 273 C PTH 1 101.93 61.05 37.75 0.00 0.00
274
+ ATOM 274 C PTH 1 101.93 61.05 38.75 0.00 0.00
275
+ ATOM 275 C PTH 1 101.93 61.05 39.75 0.00 0.00
276
+ ATOM 276 C PTH 1 101.93 61.05 40.75 0.00 0.00
277
+ ATOM 277 C PTH 1 101.93 61.05 41.75 0.00 0.00
278
+ ATOM 278 C PTH 1 101.93 61.05 42.75 0.00 0.00
279
+ ATOM 279 C PTH 1 101.93 61.05 43.75 0.00 0.00
280
+ ATOM 280 C PTH 1 101.93 62.05 39.75 0.00 0.00
281
+ ATOM 281 C PTH 1 101.93 62.05 40.75 0.00 0.00
282
+ ATOM 282 C PTH 1 101.93 62.05 41.75 0.00 0.00
283
+ ATOM 283 C PTH 1 101.93 62.05 42.75 0.00 0.00
284
+ ATOM 284 C PTH 1 101.93 62.05 43.75 0.00 0.00
285
+ ATOM 285 C PTH 1 101.93 63.05 39.75 0.00 0.00
286
+ ATOM 286 C PTH 1 101.93 63.05 40.75 0.00 0.00
287
+ ATOM 287 C PTH 1 101.93 63.05 41.75 0.00 0.00
288
+ ATOM 288 C PTH 1 101.93 63.05 42.75 0.00 0.00
289
+ ATOM 289 C PTH 1 101.93 63.05 43.75 0.00 0.00
290
+ ATOM 290 C PTH 1 101.93 64.05 39.75 0.00 0.00
291
+ ATOM 291 C PTH 1 101.93 64.05 40.75 0.00 0.00
292
+ ATOM 292 C PTH 1 101.93 64.05 41.75 0.00 0.00
293
+ ATOM 293 C PTH 1 101.93 64.05 42.75 0.00 0.00
294
+ ATOM 294 C PTH 1 101.93 64.05 43.75 0.00 0.00
295
+ ATOM 295 C PTH 1 101.93 65.05 40.75 0.00 0.00
296
+ ATOM 296 C PTH 1 101.93 65.05 41.75 0.00 0.00
297
+ ATOM 297 C PTH 1 101.93 65.05 42.75 0.00 0.00
298
+ ATOM 298 C PTH 1 101.93 65.05 43.75 0.00 0.00
299
+ ATOM 299 C PTH 1 101.93 66.05 41.75 0.00 0.00
300
+ ATOM 300 C PTH 1 101.93 66.05 42.75 0.00 0.00
301
+ ATOM 301 C PTH 1 102.93 57.05 35.75 0.00 0.00
302
+ ATOM 302 C PTH 1 102.93 57.05 36.75 0.00 0.00
303
+ ATOM 303 C PTH 1 102.93 57.05 37.75 0.00 0.00
304
+ ATOM 304 C PTH 1 102.93 57.05 38.75 0.00 0.00
305
+ ATOM 305 C PTH 1 102.93 58.05 35.75 0.00 0.00
306
+ ATOM 306 C PTH 1 102.93 58.05 36.75 0.00 0.00
307
+ ATOM 307 C PTH 1 102.93 58.05 37.75 0.00 0.00
308
+ ATOM 308 C PTH 1 102.93 58.05 38.75 0.00 0.00
309
+ ATOM 309 C PTH 1 102.93 58.05 39.75 0.00 0.00
310
+ ATOM 310 C PTH 1 102.93 58.05 40.75 0.00 0.00
311
+ ATOM 311 C PTH 1 102.93 58.05 41.75 0.00 0.00
312
+ ATOM 312 C PTH 1 102.93 59.05 35.75 0.00 0.00
313
+ ATOM 313 C PTH 1 102.93 59.05 36.75 0.00 0.00
314
+ ATOM 314 C PTH 1 102.93 59.05 37.75 0.00 0.00
315
+ ATOM 315 C PTH 1 102.93 59.05 38.75 0.00 0.00
316
+ ATOM 316 C PTH 1 102.93 59.05 39.75 0.00 0.00
317
+ ATOM 317 C PTH 1 102.93 59.05 40.75 0.00 0.00
318
+ ATOM 318 C PTH 1 102.93 59.05 41.75 0.00 0.00
319
+ ATOM 319 C PTH 1 102.93 59.05 42.75 0.00 0.00
320
+ ATOM 320 C PTH 1 102.93 60.05 35.75 0.00 0.00
321
+ ATOM 321 C PTH 1 102.93 60.05 36.75 0.00 0.00
322
+ ATOM 322 C PTH 1 102.93 60.05 37.75 0.00 0.00
323
+ ATOM 323 C PTH 1 102.93 60.05 38.75 0.00 0.00
324
+ ATOM 324 C PTH 1 102.93 60.05 39.75 0.00 0.00
325
+ ATOM 325 C PTH 1 102.93 60.05 40.75 0.00 0.00
326
+ ATOM 326 C PTH 1 102.93 60.05 41.75 0.00 0.00
327
+ ATOM 327 C PTH 1 102.93 60.05 42.75 0.00 0.00
328
+ ATOM 328 C PTH 1 102.93 60.05 43.75 0.00 0.00
329
+ ATOM 329 C PTH 1 102.93 61.05 35.75 0.00 0.00
330
+ ATOM 330 C PTH 1 102.93 61.05 36.75 0.00 0.00
331
+ ATOM 331 C PTH 1 102.93 61.05 37.75 0.00 0.00
332
+ ATOM 332 C PTH 1 102.93 61.05 38.75 0.00 0.00
333
+ ATOM 333 C PTH 1 102.93 61.05 39.75 0.00 0.00
334
+ ATOM 334 C PTH 1 102.93 61.05 40.75 0.00 0.00
335
+ ATOM 335 C PTH 1 102.93 61.05 41.75 0.00 0.00
336
+ ATOM 336 C PTH 1 102.93 61.05 42.75 0.00 0.00
337
+ ATOM 337 C PTH 1 102.93 61.05 43.75 0.00 0.00
338
+ ATOM 338 C PTH 1 102.93 62.05 36.75 0.00 0.00
339
+ ATOM 339 C PTH 1 102.93 62.05 37.75 0.00 0.00
340
+ ATOM 340 C PTH 1 102.93 62.05 38.75 0.00 0.00
341
+ ATOM 341 C PTH 1 102.93 62.05 39.75 0.00 0.00
342
+ ATOM 342 C PTH 1 102.93 62.05 40.75 0.00 0.00
343
+ ATOM 343 C PTH 1 102.93 62.05 41.75 0.00 0.00
344
+ ATOM 344 C PTH 1 102.93 62.05 42.75 0.00 0.00
345
+ ATOM 345 C PTH 1 102.93 62.05 43.75 0.00 0.00
346
+ ATOM 346 C PTH 1 102.93 63.05 37.75 0.00 0.00
347
+ ATOM 347 C PTH 1 102.93 63.05 38.75 0.00 0.00
348
+ ATOM 348 C PTH 1 102.93 63.05 39.75 0.00 0.00
349
+ ATOM 349 C PTH 1 102.93 63.05 40.75 0.00 0.00
350
+ ATOM 350 C PTH 1 102.93 63.05 41.75 0.00 0.00
351
+ ATOM 351 C PTH 1 102.93 63.05 42.75 0.00 0.00
352
+ ATOM 352 C PTH 1 102.93 63.05 43.75 0.00 0.00
353
+ ATOM 353 C PTH 1 102.93 64.05 38.75 0.00 0.00
354
+ ATOM 354 C PTH 1 102.93 64.05 39.75 0.00 0.00
355
+ ATOM 355 C PTH 1 102.93 64.05 40.75 0.00 0.00
356
+ ATOM 356 C PTH 1 102.93 64.05 41.75 0.00 0.00
357
+ ATOM 357 C PTH 1 102.93 64.05 42.75 0.00 0.00
358
+ ATOM 358 C PTH 1 102.93 64.05 43.75 0.00 0.00
359
+ ATOM 359 C PTH 1 102.93 65.05 40.75 0.00 0.00
360
+ ATOM 360 C PTH 1 102.93 65.05 41.75 0.00 0.00
361
+ ATOM 361 C PTH 1 102.93 65.05 42.75 0.00 0.00
362
+ ATOM 362 C PTH 1 102.93 65.05 43.75 0.00 0.00
363
+ ATOM 363 C PTH 1 103.93 58.05 35.75 0.00 0.00
364
+ ATOM 364 C PTH 1 103.93 58.05 36.75 0.00 0.00
365
+ ATOM 365 C PTH 1 103.93 58.05 37.75 0.00 0.00
366
+ ATOM 366 C PTH 1 103.93 58.05 38.75 0.00 0.00
367
+ ATOM 367 C PTH 1 103.93 58.05 39.75 0.00 0.00
368
+ ATOM 368 C PTH 1 103.93 58.05 40.75 0.00 0.00
369
+ ATOM 369 C PTH 1 103.93 58.05 41.75 0.00 0.00
370
+ ATOM 370 C PTH 1 103.93 59.05 35.75 0.00 0.00
371
+ ATOM 371 C PTH 1 103.93 59.05 36.75 0.00 0.00
372
+ ATOM 372 C PTH 1 103.93 59.05 37.75 0.00 0.00
373
+ ATOM 373 C PTH 1 103.93 59.05 38.75 0.00 0.00
374
+ ATOM 374 C PTH 1 103.93 59.05 39.75 0.00 0.00
375
+ ATOM 375 C PTH 1 103.93 59.05 40.75 0.00 0.00
376
+ ATOM 376 C PTH 1 103.93 59.05 41.75 0.00 0.00
377
+ ATOM 377 C PTH 1 103.93 59.05 42.75 0.00 0.00
378
+ ATOM 378 C PTH 1 103.93 60.05 34.75 0.00 0.00
379
+ ATOM 379 C PTH 1 103.93 60.05 35.75 0.00 0.00
380
+ ATOM 380 C PTH 1 103.93 60.05 36.75 0.00 0.00
381
+ ATOM 381 C PTH 1 103.93 60.05 37.75 0.00 0.00
382
+ ATOM 382 C PTH 1 103.93 60.05 38.75 0.00 0.00
383
+ ATOM 383 C PTH 1 103.93 60.05 39.75 0.00 0.00
384
+ ATOM 384 C PTH 1 103.93 60.05 40.75 0.00 0.00
385
+ ATOM 385 C PTH 1 103.93 60.05 41.75 0.00 0.00
386
+ ATOM 386 C PTH 1 103.93 60.05 42.75 0.00 0.00
387
+ ATOM 387 C PTH 1 103.93 60.05 43.75 0.00 0.00
388
+ ATOM 388 C PTH 1 103.93 61.05 35.75 0.00 0.00
389
+ ATOM 389 C PTH 1 103.93 61.05 36.75 0.00 0.00
390
+ ATOM 390 C PTH 1 103.93 61.05 37.75 0.00 0.00
391
+ ATOM 391 C PTH 1 103.93 61.05 38.75 0.00 0.00
392
+ ATOM 392 C PTH 1 103.93 61.05 39.75 0.00 0.00
393
+ ATOM 393 C PTH 1 103.93 61.05 40.75 0.00 0.00
394
+ ATOM 394 C PTH 1 103.93 61.05 41.75 0.00 0.00
395
+ ATOM 395 C PTH 1 103.93 61.05 42.75 0.00 0.00
396
+ ATOM 396 C PTH 1 103.93 61.05 43.75 0.00 0.00
397
+ ATOM 397 C PTH 1 103.93 62.05 35.75 0.00 0.00
398
+ ATOM 398 C PTH 1 103.93 62.05 36.75 0.00 0.00
399
+ ATOM 399 C PTH 1 103.93 62.05 37.75 0.00 0.00
400
+ ATOM 400 C PTH 1 103.93 62.05 38.75 0.00 0.00
401
+ ATOM 401 C PTH 1 103.93 62.05 39.75 0.00 0.00
402
+ ATOM 402 C PTH 1 103.93 62.05 40.75 0.00 0.00
403
+ ATOM 403 C PTH 1 103.93 62.05 41.75 0.00 0.00
404
+ ATOM 404 C PTH 1 103.93 62.05 42.75 0.00 0.00
405
+ ATOM 405 C PTH 1 103.93 62.05 43.75 0.00 0.00
406
+ ATOM 406 C PTH 1 103.93 63.05 36.75 0.00 0.00
407
+ ATOM 407 C PTH 1 103.93 63.05 37.75 0.00 0.00
408
+ ATOM 408 C PTH 1 103.93 63.05 38.75 0.00 0.00
409
+ ATOM 409 C PTH 1 103.93 63.05 39.75 0.00 0.00
410
+ ATOM 410 C PTH 1 103.93 63.05 40.75 0.00 0.00
411
+ ATOM 411 C PTH 1 103.93 63.05 41.75 0.00 0.00
412
+ ATOM 412 C PTH 1 103.93 63.05 42.75 0.00 0.00
413
+ ATOM 413 C PTH 1 103.93 63.05 43.75 0.00 0.00
414
+ ATOM 414 C PTH 1 103.93 64.05 37.75 0.00 0.00
415
+ ATOM 415 C PTH 1 103.93 64.05 38.75 0.00 0.00
416
+ ATOM 416 C PTH 1 103.93 64.05 39.75 0.00 0.00
417
+ ATOM 417 C PTH 1 103.93 64.05 40.75 0.00 0.00
418
+ ATOM 418 C PTH 1 103.93 64.05 41.75 0.00 0.00
419
+ ATOM 419 C PTH 1 103.93 64.05 42.75 0.00 0.00
420
+ ATOM 420 C PTH 1 103.93 64.05 43.75 0.00 0.00
421
+ ATOM 421 C PTH 1 103.93 65.05 40.75 0.00 0.00
422
+ ATOM 422 C PTH 1 103.93 65.05 41.75 0.00 0.00
423
+ ATOM 423 C PTH 1 103.93 65.05 42.75 0.00 0.00
424
+ ATOM 424 C PTH 1 104.93 58.05 37.75 0.00 0.00
425
+ ATOM 425 C PTH 1 104.93 58.05 38.75 0.00 0.00
426
+ ATOM 426 C PTH 1 104.93 58.05 39.75 0.00 0.00
427
+ ATOM 427 C PTH 1 104.93 58.05 40.75 0.00 0.00
428
+ ATOM 428 C PTH 1 104.93 59.05 35.75 0.00 0.00
429
+ ATOM 429 C PTH 1 104.93 59.05 36.75 0.00 0.00
430
+ ATOM 430 C PTH 1 104.93 59.05 37.75 0.00 0.00
431
+ ATOM 431 C PTH 1 104.93 59.05 38.75 0.00 0.00
432
+ ATOM 432 C PTH 1 104.93 59.05 39.75 0.00 0.00
433
+ ATOM 433 C PTH 1 104.93 59.05 40.75 0.00 0.00
434
+ ATOM 434 C PTH 1 104.93 59.05 41.75 0.00 0.00
435
+ ATOM 435 C PTH 1 104.93 59.05 42.75 0.00 0.00
436
+ ATOM 436 C PTH 1 104.93 60.05 34.75 0.00 0.00
437
+ ATOM 437 C PTH 1 104.93 60.05 35.75 0.00 0.00
438
+ ATOM 438 C PTH 1 104.93 60.05 36.75 0.00 0.00
439
+ ATOM 439 C PTH 1 104.93 60.05 37.75 0.00 0.00
440
+ ATOM 440 C PTH 1 104.93 60.05 38.75 0.00 0.00
441
+ ATOM 441 C PTH 1 104.93 60.05 39.75 0.00 0.00
442
+ ATOM 442 C PTH 1 104.93 60.05 40.75 0.00 0.00
443
+ ATOM 443 C PTH 1 104.93 60.05 41.75 0.00 0.00
444
+ ATOM 444 C PTH 1 104.93 60.05 42.75 0.00 0.00
445
+ ATOM 445 C PTH 1 104.93 60.05 43.75 0.00 0.00
446
+ ATOM 446 C PTH 1 104.93 61.05 34.75 0.00 0.00
447
+ ATOM 447 C PTH 1 104.93 61.05 35.75 0.00 0.00
448
+ ATOM 448 C PTH 1 104.93 61.05 36.75 0.00 0.00
449
+ ATOM 449 C PTH 1 104.93 61.05 37.75 0.00 0.00
450
+ ATOM 450 C PTH 1 104.93 61.05 38.75 0.00 0.00
451
+ ATOM 451 C PTH 1 104.93 61.05 39.75 0.00 0.00
452
+ ATOM 452 C PTH 1 104.93 61.05 40.75 0.00 0.00
453
+ ATOM 453 C PTH 1 104.93 61.05 41.75 0.00 0.00
454
+ ATOM 454 C PTH 1 104.93 61.05 42.75 0.00 0.00
455
+ ATOM 455 C PTH 1 104.93 61.05 43.75 0.00 0.00
456
+ ATOM 456 C PTH 1 104.93 62.05 34.75 0.00 0.00
457
+ ATOM 457 C PTH 1 104.93 62.05 35.75 0.00 0.00
458
+ ATOM 458 C PTH 1 104.93 62.05 36.75 0.00 0.00
459
+ ATOM 459 C PTH 1 104.93 62.05 37.75 0.00 0.00
460
+ ATOM 460 C PTH 1 104.93 62.05 38.75 0.00 0.00
461
+ ATOM 461 C PTH 1 104.93 62.05 39.75 0.00 0.00
462
+ ATOM 462 C PTH 1 104.93 62.05 40.75 0.00 0.00
463
+ ATOM 463 C PTH 1 104.93 62.05 41.75 0.00 0.00
464
+ ATOM 464 C PTH 1 104.93 62.05 42.75 0.00 0.00
465
+ ATOM 465 C PTH 1 104.93 62.05 43.75 0.00 0.00
466
+ ATOM 466 C PTH 1 104.93 63.05 35.75 0.00 0.00
467
+ ATOM 467 C PTH 1 104.93 63.05 36.75 0.00 0.00
468
+ ATOM 468 C PTH 1 104.93 63.05 37.75 0.00 0.00
469
+ ATOM 469 C PTH 1 104.93 63.05 38.75 0.00 0.00
470
+ ATOM 470 C PTH 1 104.93 63.05 39.75 0.00 0.00
471
+ ATOM 471 C PTH 1 104.93 63.05 40.75 0.00 0.00
472
+ ATOM 472 C PTH 1 104.93 63.05 41.75 0.00 0.00
473
+ ATOM 473 C PTH 1 104.93 63.05 42.75 0.00 0.00
474
+ ATOM 474 C PTH 1 104.93 63.05 43.75 0.00 0.00
475
+ ATOM 475 C PTH 1 104.93 64.05 36.75 0.00 0.00
476
+ ATOM 476 C PTH 1 104.93 64.05 37.75 0.00 0.00
477
+ ATOM 477 C PTH 1 104.93 64.05 38.75 0.00 0.00
478
+ ATOM 478 C PTH 1 104.93 64.05 39.75 0.00 0.00
479
+ ATOM 479 C PTH 1 104.93 64.05 40.75 0.00 0.00
480
+ ATOM 480 C PTH 1 104.93 64.05 41.75 0.00 0.00
481
+ ATOM 481 C PTH 1 104.93 64.05 42.75 0.00 0.00
482
+ ATOM 482 C PTH 1 105.93 58.05 39.75 0.00 0.00
483
+ ATOM 483 C PTH 1 105.93 59.05 37.75 0.00 0.00
484
+ ATOM 484 C PTH 1 105.93 59.05 38.75 0.00 0.00
485
+ ATOM 485 C PTH 1 105.93 59.05 39.75 0.00 0.00
486
+ ATOM 486 C PTH 1 105.93 59.05 40.75 0.00 0.00
487
+ ATOM 487 C PTH 1 105.93 59.05 41.75 0.00 0.00
488
+ ATOM 488 C PTH 1 105.93 60.05 36.75 0.00 0.00
489
+ ATOM 489 C PTH 1 105.93 60.05 37.75 0.00 0.00
490
+ ATOM 490 C PTH 1 105.93 60.05 38.75 0.00 0.00
491
+ ATOM 491 C PTH 1 105.93 60.05 39.75 0.00 0.00
492
+ ATOM 492 C PTH 1 105.93 60.05 40.75 0.00 0.00
493
+ ATOM 493 C PTH 1 105.93 60.05 41.75 0.00 0.00
494
+ ATOM 494 C PTH 1 105.93 60.05 42.75 0.00 0.00
495
+ ATOM 495 C PTH 1 105.93 60.05 43.75 0.00 0.00
496
+ ATOM 496 C PTH 1 105.93 61.05 34.75 0.00 0.00
497
+ ATOM 497 C PTH 1 105.93 61.05 35.75 0.00 0.00
498
+ ATOM 498 C PTH 1 105.93 61.05 36.75 0.00 0.00
499
+ ATOM 499 C PTH 1 105.93 61.05 37.75 0.00 0.00
500
+ ATOM 500 C PTH 1 105.93 61.05 38.75 0.00 0.00
501
+ ATOM 501 C PTH 1 105.93 61.05 39.75 0.00 0.00
502
+ ATOM 502 C PTH 1 105.93 61.05 40.75 0.00 0.00
503
+ ATOM 503 C PTH 1 105.93 61.05 41.75 0.00 0.00
504
+ ATOM 504 C PTH 1 105.93 61.05 42.75 0.00 0.00
505
+ ATOM 505 C PTH 1 105.93 61.05 43.75 0.00 0.00
506
+ ATOM 506 C PTH 1 105.93 62.05 34.75 0.00 0.00
507
+ ATOM 507 C PTH 1 105.93 62.05 35.75 0.00 0.00
508
+ ATOM 508 C PTH 1 105.93 62.05 36.75 0.00 0.00
509
+ ATOM 509 C PTH 1 105.93 62.05 37.75 0.00 0.00
510
+ ATOM 510 C PTH 1 105.93 62.05 38.75 0.00 0.00
511
+ ATOM 511 C PTH 1 105.93 62.05 39.75 0.00 0.00
512
+ ATOM 512 C PTH 1 105.93 62.05 40.75 0.00 0.00
513
+ ATOM 513 C PTH 1 105.93 62.05 41.75 0.00 0.00
514
+ ATOM 514 C PTH 1 105.93 62.05 42.75 0.00 0.00
515
+ ATOM 515 C PTH 1 105.93 62.05 43.75 0.00 0.00
516
+ ATOM 516 C PTH 1 105.93 63.05 35.75 0.00 0.00
517
+ ATOM 517 C PTH 1 105.93 63.05 36.75 0.00 0.00
518
+ ATOM 518 C PTH 1 105.93 63.05 37.75 0.00 0.00
519
+ ATOM 519 C PTH 1 105.93 63.05 38.75 0.00 0.00
520
+ ATOM 520 C PTH 1 105.93 63.05 39.75 0.00 0.00
521
+ ATOM 521 C PTH 1 105.93 63.05 40.75 0.00 0.00
522
+ ATOM 522 C PTH 1 105.93 63.05 41.75 0.00 0.00
523
+ ATOM 523 C PTH 1 105.93 63.05 42.75 0.00 0.00
524
+ ATOM 524 C PTH 1 105.93 64.05 36.75 0.00 0.00
525
+ ATOM 525 C PTH 1 105.93 64.05 37.75 0.00 0.00
526
+ ATOM 526 C PTH 1 105.93 64.05 38.75 0.00 0.00
527
+ ATOM 527 C PTH 1 105.93 64.05 39.75 0.00 0.00
528
+ ATOM 528 C PTH 1 105.93 64.05 40.75 0.00 0.00
529
+ ATOM 529 C PTH 1 105.93 64.05 41.75 0.00 0.00
530
+ ATOM 530 C PTH 1 106.93 59.05 38.75 0.00 0.00
531
+ ATOM 531 C PTH 1 106.93 59.05 39.75 0.00 0.00
532
+ ATOM 532 C PTH 1 106.93 59.05 40.75 0.00 0.00
533
+ ATOM 533 C PTH 1 106.93 60.05 37.75 0.00 0.00
534
+ ATOM 534 C PTH 1 106.93 60.05 38.75 0.00 0.00
535
+ ATOM 535 C PTH 1 106.93 60.05 39.75 0.00 0.00
536
+ ATOM 536 C PTH 1 106.93 60.05 40.75 0.00 0.00
537
+ ATOM 537 C PTH 1 106.93 60.05 41.75 0.00 0.00
538
+ ATOM 538 C PTH 1 106.93 61.05 35.75 0.00 0.00
539
+ ATOM 539 C PTH 1 106.93 61.05 36.75 0.00 0.00
540
+ ATOM 540 C PTH 1 106.93 61.05 37.75 0.00 0.00
541
+ ATOM 541 C PTH 1 106.93 61.05 38.75 0.00 0.00
542
+ ATOM 542 C PTH 1 106.93 61.05 39.75 0.00 0.00
543
+ ATOM 543 C PTH 1 106.93 61.05 40.75 0.00 0.00
544
+ ATOM 544 C PTH 1 106.93 61.05 41.75 0.00 0.00
545
+ ATOM 545 C PTH 1 106.93 62.05 34.75 0.00 0.00
546
+ ATOM 546 C PTH 1 106.93 62.05 35.75 0.00 0.00
547
+ ATOM 547 C PTH 1 106.93 62.05 36.75 0.00 0.00
548
+ ATOM 548 C PTH 1 106.93 62.05 37.75 0.00 0.00
549
+ ATOM 549 C PTH 1 106.93 62.05 38.75 0.00 0.00
550
+ ATOM 550 C PTH 1 106.93 62.05 39.75 0.00 0.00
551
+ ATOM 551 C PTH 1 106.93 62.05 40.75 0.00 0.00
552
+ ATOM 552 C PTH 1 106.93 62.05 41.75 0.00 0.00
553
+ ATOM 553 C PTH 1 106.93 63.05 35.75 0.00 0.00
554
+ ATOM 554 C PTH 1 106.93 63.05 36.75 0.00 0.00
555
+ ATOM 555 C PTH 1 106.93 63.05 37.75 0.00 0.00
556
+ ATOM 556 C PTH 1 106.93 63.05 38.75 0.00 0.00
557
+ ATOM 557 C PTH 1 106.93 63.05 39.75 0.00 0.00
558
+ ATOM 558 C PTH 1 106.93 63.05 40.75 0.00 0.00
559
+ ATOM 559 C PTH 1 106.93 64.05 36.75 0.00 0.00
560
+ ATOM 560 C PTH 1 106.93 64.05 37.75 0.00 0.00
561
+ ATOM 561 C PTH 1 107.93 60.05 37.75 0.00 0.00
562
+ ATOM 562 C PTH 1 107.93 60.05 38.75 0.00 0.00
563
+ ATOM 563 C PTH 1 107.93 60.05 39.75 0.00 0.00
564
+ ATOM 564 C PTH 1 107.93 60.05 40.75 0.00 0.00
565
+ ATOM 565 C PTH 1 107.93 61.05 36.75 0.00 0.00
566
+ ATOM 566 C PTH 1 107.93 61.05 37.75 0.00 0.00
567
+ ATOM 567 C PTH 1 107.93 61.05 38.75 0.00 0.00
568
+ ATOM 568 C PTH 1 107.93 61.05 39.75 0.00 0.00
569
+ ATOM 569 C PTH 1 107.93 61.05 40.75 0.00 0.00
570
+ ATOM 570 C PTH 1 107.93 62.05 36.75 0.00 0.00
571
+ ATOM 571 C PTH 1 107.93 62.05 37.75 0.00 0.00
572
+ ATOM 572 C PTH 1 107.93 62.05 38.75 0.00 0.00
573
+ ATOM 573 C PTH 1 107.93 62.05 39.75 0.00 0.00
574
+ ATOM 574 C PTH 1 107.93 62.05 40.75 0.00 0.00
575
+ ATOM 575 C PTH 1 107.93 63.05 36.75 0.00 0.00
576
+ ATOM 576 C PTH 1 107.93 63.05 37.75 0.00 0.00
577
+ ATOM 577 C PTH 1 107.93 63.05 38.75 0.00 0.00
578
+ ATOM 578 C PTH 1 108.93 61.05 38.75 0.00 0.00
579
+ ATOM 579 C PTH 1 108.93 62.05 38.75 0.00 0.00
data/files/A000T/pocket_02.pdb ADDED
@@ -0,0 +1,445 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 86.93 101.05 44.75 0.00 0.00
2
+ ATOM 2 C PTH 1 86.93 101.05 45.75 0.00 0.00
3
+ ATOM 3 C PTH 1 86.93 102.05 44.75 0.00 0.00
4
+ ATOM 4 C PTH 1 86.93 102.05 45.75 0.00 0.00
5
+ ATOM 5 C PTH 1 86.93 102.05 46.75 0.00 0.00
6
+ ATOM 6 C PTH 1 86.93 103.05 45.75 0.00 0.00
7
+ ATOM 7 C PTH 1 86.93 103.05 46.75 0.00 0.00
8
+ ATOM 8 C PTH 1 87.93 100.05 44.75 0.00 0.00
9
+ ATOM 9 C PTH 1 87.93 100.05 45.75 0.00 0.00
10
+ ATOM 10 C PTH 1 87.93 101.05 44.75 0.00 0.00
11
+ ATOM 11 C PTH 1 87.93 101.05 45.75 0.00 0.00
12
+ ATOM 12 C PTH 1 87.93 102.05 44.75 0.00 0.00
13
+ ATOM 13 C PTH 1 87.93 102.05 45.75 0.00 0.00
14
+ ATOM 14 C PTH 1 87.93 102.05 46.75 0.00 0.00
15
+ ATOM 15 C PTH 1 87.93 103.05 44.75 0.00 0.00
16
+ ATOM 16 C PTH 1 87.93 103.05 45.75 0.00 0.00
17
+ ATOM 17 C PTH 1 87.93 103.05 46.75 0.00 0.00
18
+ ATOM 18 C PTH 1 87.93 103.05 47.75 0.00 0.00
19
+ ATOM 19 C PTH 1 87.93 104.05 44.75 0.00 0.00
20
+ ATOM 20 C PTH 1 87.93 104.05 45.75 0.00 0.00
21
+ ATOM 21 C PTH 1 87.93 104.05 46.75 0.00 0.00
22
+ ATOM 22 C PTH 1 87.93 104.05 47.75 0.00 0.00
23
+ ATOM 23 C PTH 1 87.93 105.05 46.75 0.00 0.00
24
+ ATOM 24 C PTH 1 87.93 105.05 47.75 0.00 0.00
25
+ ATOM 25 C PTH 1 88.93 101.05 44.75 0.00 0.00
26
+ ATOM 26 C PTH 1 88.93 101.05 45.75 0.00 0.00
27
+ ATOM 27 C PTH 1 88.93 101.05 46.75 0.00 0.00
28
+ ATOM 28 C PTH 1 88.93 102.05 43.75 0.00 0.00
29
+ ATOM 29 C PTH 1 88.93 102.05 44.75 0.00 0.00
30
+ ATOM 30 C PTH 1 88.93 102.05 45.75 0.00 0.00
31
+ ATOM 31 C PTH 1 88.93 102.05 46.75 0.00 0.00
32
+ ATOM 32 C PTH 1 88.93 102.05 47.75 0.00 0.00
33
+ ATOM 33 C PTH 1 88.93 103.05 43.75 0.00 0.00
34
+ ATOM 34 C PTH 1 88.93 103.05 44.75 0.00 0.00
35
+ ATOM 35 C PTH 1 88.93 103.05 45.75 0.00 0.00
36
+ ATOM 36 C PTH 1 88.93 103.05 46.75 0.00 0.00
37
+ ATOM 37 C PTH 1 88.93 103.05 47.75 0.00 0.00
38
+ ATOM 38 C PTH 1 88.93 103.05 48.75 0.00 0.00
39
+ ATOM 39 C PTH 1 88.93 103.05 49.75 0.00 0.00
40
+ ATOM 40 C PTH 1 88.93 104.05 43.75 0.00 0.00
41
+ ATOM 41 C PTH 1 88.93 104.05 44.75 0.00 0.00
42
+ ATOM 42 C PTH 1 88.93 104.05 45.75 0.00 0.00
43
+ ATOM 43 C PTH 1 88.93 104.05 46.75 0.00 0.00
44
+ ATOM 44 C PTH 1 88.93 104.05 47.75 0.00 0.00
45
+ ATOM 45 C PTH 1 88.93 104.05 48.75 0.00 0.00
46
+ ATOM 46 C PTH 1 88.93 104.05 49.75 0.00 0.00
47
+ ATOM 47 C PTH 1 88.93 105.05 45.75 0.00 0.00
48
+ ATOM 48 C PTH 1 88.93 105.05 46.75 0.00 0.00
49
+ ATOM 49 C PTH 1 88.93 105.05 47.75 0.00 0.00
50
+ ATOM 50 C PTH 1 88.93 105.05 48.75 0.00 0.00
51
+ ATOM 51 C PTH 1 88.93 105.05 49.75 0.00 0.00
52
+ ATOM 52 C PTH 1 88.93 106.05 46.75 0.00 0.00
53
+ ATOM 53 C PTH 1 88.93 106.05 47.75 0.00 0.00
54
+ ATOM 54 C PTH 1 88.93 106.05 48.75 0.00 0.00
55
+ ATOM 55 C PTH 1 89.93 101.05 44.75 0.00 0.00
56
+ ATOM 56 C PTH 1 89.93 101.05 45.75 0.00 0.00
57
+ ATOM 57 C PTH 1 89.93 101.05 46.75 0.00 0.00
58
+ ATOM 58 C PTH 1 89.93 101.05 47.75 0.00 0.00
59
+ ATOM 59 C PTH 1 89.93 102.05 43.75 0.00 0.00
60
+ ATOM 60 C PTH 1 89.93 102.05 44.75 0.00 0.00
61
+ ATOM 61 C PTH 1 89.93 102.05 45.75 0.00 0.00
62
+ ATOM 62 C PTH 1 89.93 102.05 46.75 0.00 0.00
63
+ ATOM 63 C PTH 1 89.93 102.05 47.75 0.00 0.00
64
+ ATOM 64 C PTH 1 89.93 102.05 48.75 0.00 0.00
65
+ ATOM 65 C PTH 1 89.93 103.05 42.75 0.00 0.00
66
+ ATOM 66 C PTH 1 89.93 103.05 43.75 0.00 0.00
67
+ ATOM 67 C PTH 1 89.93 103.05 44.75 0.00 0.00
68
+ ATOM 68 C PTH 1 89.93 103.05 45.75 0.00 0.00
69
+ ATOM 69 C PTH 1 89.93 103.05 46.75 0.00 0.00
70
+ ATOM 70 C PTH 1 89.93 103.05 47.75 0.00 0.00
71
+ ATOM 71 C PTH 1 89.93 103.05 48.75 0.00 0.00
72
+ ATOM 72 C PTH 1 89.93 103.05 49.75 0.00 0.00
73
+ ATOM 73 C PTH 1 89.93 104.05 42.75 0.00 0.00
74
+ ATOM 74 C PTH 1 89.93 104.05 43.75 0.00 0.00
75
+ ATOM 75 C PTH 1 89.93 104.05 44.75 0.00 0.00
76
+ ATOM 76 C PTH 1 89.93 104.05 45.75 0.00 0.00
77
+ ATOM 77 C PTH 1 89.93 104.05 46.75 0.00 0.00
78
+ ATOM 78 C PTH 1 89.93 104.05 47.75 0.00 0.00
79
+ ATOM 79 C PTH 1 89.93 104.05 48.75 0.00 0.00
80
+ ATOM 80 C PTH 1 89.93 104.05 49.75 0.00 0.00
81
+ ATOM 81 C PTH 1 89.93 105.05 43.75 0.00 0.00
82
+ ATOM 82 C PTH 1 89.93 105.05 44.75 0.00 0.00
83
+ ATOM 83 C PTH 1 89.93 105.05 45.75 0.00 0.00
84
+ ATOM 84 C PTH 1 89.93 105.05 46.75 0.00 0.00
85
+ ATOM 85 C PTH 1 89.93 105.05 47.75 0.00 0.00
86
+ ATOM 86 C PTH 1 89.93 105.05 48.75 0.00 0.00
87
+ ATOM 87 C PTH 1 89.93 105.05 49.75 0.00 0.00
88
+ ATOM 88 C PTH 1 89.93 106.05 46.75 0.00 0.00
89
+ ATOM 89 C PTH 1 89.93 106.05 47.75 0.00 0.00
90
+ ATOM 90 C PTH 1 89.93 106.05 48.75 0.00 0.00
91
+ ATOM 91 C PTH 1 90.93 101.05 43.75 0.00 0.00
92
+ ATOM 92 C PTH 1 90.93 101.05 44.75 0.00 0.00
93
+ ATOM 93 C PTH 1 90.93 101.05 45.75 0.00 0.00
94
+ ATOM 94 C PTH 1 90.93 101.05 46.75 0.00 0.00
95
+ ATOM 95 C PTH 1 90.93 101.05 47.75 0.00 0.00
96
+ ATOM 96 C PTH 1 90.93 102.05 41.75 0.00 0.00
97
+ ATOM 97 C PTH 1 90.93 102.05 42.75 0.00 0.00
98
+ ATOM 98 C PTH 1 90.93 102.05 43.75 0.00 0.00
99
+ ATOM 99 C PTH 1 90.93 102.05 44.75 0.00 0.00
100
+ ATOM 100 C PTH 1 90.93 102.05 45.75 0.00 0.00
101
+ ATOM 101 C PTH 1 90.93 102.05 46.75 0.00 0.00
102
+ ATOM 102 C PTH 1 90.93 102.05 47.75 0.00 0.00
103
+ ATOM 103 C PTH 1 90.93 102.05 48.75 0.00 0.00
104
+ ATOM 104 C PTH 1 90.93 103.05 41.75 0.00 0.00
105
+ ATOM 105 C PTH 1 90.93 103.05 42.75 0.00 0.00
106
+ ATOM 106 C PTH 1 90.93 103.05 43.75 0.00 0.00
107
+ ATOM 107 C PTH 1 90.93 103.05 44.75 0.00 0.00
108
+ ATOM 108 C PTH 1 90.93 103.05 45.75 0.00 0.00
109
+ ATOM 109 C PTH 1 90.93 103.05 46.75 0.00 0.00
110
+ ATOM 110 C PTH 1 90.93 103.05 47.75 0.00 0.00
111
+ ATOM 111 C PTH 1 90.93 103.05 48.75 0.00 0.00
112
+ ATOM 112 C PTH 1 90.93 103.05 49.75 0.00 0.00
113
+ ATOM 113 C PTH 1 90.93 104.05 40.75 0.00 0.00
114
+ ATOM 114 C PTH 1 90.93 104.05 41.75 0.00 0.00
115
+ ATOM 115 C PTH 1 90.93 104.05 42.75 0.00 0.00
116
+ ATOM 116 C PTH 1 90.93 104.05 43.75 0.00 0.00
117
+ ATOM 117 C PTH 1 90.93 104.05 44.75 0.00 0.00
118
+ ATOM 118 C PTH 1 90.93 104.05 45.75 0.00 0.00
119
+ ATOM 119 C PTH 1 90.93 104.05 46.75 0.00 0.00
120
+ ATOM 120 C PTH 1 90.93 104.05 47.75 0.00 0.00
121
+ ATOM 121 C PTH 1 90.93 104.05 48.75 0.00 0.00
122
+ ATOM 122 C PTH 1 90.93 104.05 49.75 0.00 0.00
123
+ ATOM 123 C PTH 1 90.93 105.05 41.75 0.00 0.00
124
+ ATOM 124 C PTH 1 90.93 105.05 42.75 0.00 0.00
125
+ ATOM 125 C PTH 1 90.93 105.05 43.75 0.00 0.00
126
+ ATOM 126 C PTH 1 90.93 105.05 44.75 0.00 0.00
127
+ ATOM 127 C PTH 1 90.93 105.05 45.75 0.00 0.00
128
+ ATOM 128 C PTH 1 90.93 105.05 46.75 0.00 0.00
129
+ ATOM 129 C PTH 1 90.93 105.05 47.75 0.00 0.00
130
+ ATOM 130 C PTH 1 90.93 105.05 48.75 0.00 0.00
131
+ ATOM 131 C PTH 1 90.93 106.05 47.75 0.00 0.00
132
+ ATOM 132 C PTH 1 91.93 101.05 43.75 0.00 0.00
133
+ ATOM 133 C PTH 1 91.93 101.05 44.75 0.00 0.00
134
+ ATOM 134 C PTH 1 91.93 101.05 45.75 0.00 0.00
135
+ ATOM 135 C PTH 1 91.93 101.05 46.75 0.00 0.00
136
+ ATOM 136 C PTH 1 91.93 102.05 40.75 0.00 0.00
137
+ ATOM 137 C PTH 1 91.93 102.05 41.75 0.00 0.00
138
+ ATOM 138 C PTH 1 91.93 102.05 42.75 0.00 0.00
139
+ ATOM 139 C PTH 1 91.93 102.05 43.75 0.00 0.00
140
+ ATOM 140 C PTH 1 91.93 102.05 44.75 0.00 0.00
141
+ ATOM 141 C PTH 1 91.93 102.05 45.75 0.00 0.00
142
+ ATOM 142 C PTH 1 91.93 102.05 46.75 0.00 0.00
143
+ ATOM 143 C PTH 1 91.93 102.05 47.75 0.00 0.00
144
+ ATOM 144 C PTH 1 91.93 103.05 40.75 0.00 0.00
145
+ ATOM 145 C PTH 1 91.93 103.05 41.75 0.00 0.00
146
+ ATOM 146 C PTH 1 91.93 103.05 42.75 0.00 0.00
147
+ ATOM 147 C PTH 1 91.93 103.05 43.75 0.00 0.00
148
+ ATOM 148 C PTH 1 91.93 103.05 44.75 0.00 0.00
149
+ ATOM 149 C PTH 1 91.93 103.05 45.75 0.00 0.00
150
+ ATOM 150 C PTH 1 91.93 103.05 46.75 0.00 0.00
151
+ ATOM 151 C PTH 1 91.93 103.05 47.75 0.00 0.00
152
+ ATOM 152 C PTH 1 91.93 104.05 40.75 0.00 0.00
153
+ ATOM 153 C PTH 1 91.93 104.05 41.75 0.00 0.00
154
+ ATOM 154 C PTH 1 91.93 104.05 42.75 0.00 0.00
155
+ ATOM 155 C PTH 1 91.93 104.05 43.75 0.00 0.00
156
+ ATOM 156 C PTH 1 91.93 104.05 44.75 0.00 0.00
157
+ ATOM 157 C PTH 1 91.93 104.05 45.75 0.00 0.00
158
+ ATOM 158 C PTH 1 91.93 104.05 46.75 0.00 0.00
159
+ ATOM 159 C PTH 1 91.93 104.05 47.75 0.00 0.00
160
+ ATOM 160 C PTH 1 91.93 105.05 40.75 0.00 0.00
161
+ ATOM 161 C PTH 1 91.93 105.05 41.75 0.00 0.00
162
+ ATOM 162 C PTH 1 91.93 105.05 42.75 0.00 0.00
163
+ ATOM 163 C PTH 1 91.93 105.05 43.75 0.00 0.00
164
+ ATOM 164 C PTH 1 91.93 105.05 44.75 0.00 0.00
165
+ ATOM 165 C PTH 1 91.93 105.05 45.75 0.00 0.00
166
+ ATOM 166 C PTH 1 91.93 105.05 46.75 0.00 0.00
167
+ ATOM 167 C PTH 1 91.93 106.05 39.75 0.00 0.00
168
+ ATOM 168 C PTH 1 91.93 106.05 40.75 0.00 0.00
169
+ ATOM 169 C PTH 1 91.93 106.05 41.75 0.00 0.00
170
+ ATOM 170 C PTH 1 91.93 106.05 42.75 0.00 0.00
171
+ ATOM 171 C PTH 1 91.93 106.05 43.75 0.00 0.00
172
+ ATOM 172 C PTH 1 91.93 107.05 39.75 0.00 0.00
173
+ ATOM 173 C PTH 1 91.93 107.05 40.75 0.00 0.00
174
+ ATOM 174 C PTH 1 91.93 107.05 41.75 0.00 0.00
175
+ ATOM 175 C PTH 1 91.93 108.05 39.75 0.00 0.00
176
+ ATOM 176 C PTH 1 91.93 108.05 40.75 0.00 0.00
177
+ ATOM 177 C PTH 1 92.93 102.05 41.75 0.00 0.00
178
+ ATOM 178 C PTH 1 92.93 102.05 42.75 0.00 0.00
179
+ ATOM 179 C PTH 1 92.93 102.05 43.75 0.00 0.00
180
+ ATOM 180 C PTH 1 92.93 102.05 44.75 0.00 0.00
181
+ ATOM 181 C PTH 1 92.93 102.05 45.75 0.00 0.00
182
+ ATOM 182 C PTH 1 92.93 102.05 46.75 0.00 0.00
183
+ ATOM 183 C PTH 1 92.93 103.05 40.75 0.00 0.00
184
+ ATOM 184 C PTH 1 92.93 103.05 41.75 0.00 0.00
185
+ ATOM 185 C PTH 1 92.93 103.05 42.75 0.00 0.00
186
+ ATOM 186 C PTH 1 92.93 103.05 43.75 0.00 0.00
187
+ ATOM 187 C PTH 1 92.93 103.05 44.75 0.00 0.00
188
+ ATOM 188 C PTH 1 92.93 103.05 45.75 0.00 0.00
189
+ ATOM 189 C PTH 1 92.93 103.05 46.75 0.00 0.00
190
+ ATOM 190 C PTH 1 92.93 104.05 40.75 0.00 0.00
191
+ ATOM 191 C PTH 1 92.93 104.05 41.75 0.00 0.00
192
+ ATOM 192 C PTH 1 92.93 104.05 42.75 0.00 0.00
193
+ ATOM 193 C PTH 1 92.93 104.05 43.75 0.00 0.00
194
+ ATOM 194 C PTH 1 92.93 104.05 44.75 0.00 0.00
195
+ ATOM 195 C PTH 1 92.93 104.05 45.75 0.00 0.00
196
+ ATOM 196 C PTH 1 92.93 104.05 46.75 0.00 0.00
197
+ ATOM 197 C PTH 1 92.93 105.05 39.75 0.00 0.00
198
+ ATOM 198 C PTH 1 92.93 105.05 40.75 0.00 0.00
199
+ ATOM 199 C PTH 1 92.93 105.05 41.75 0.00 0.00
200
+ ATOM 200 C PTH 1 92.93 105.05 42.75 0.00 0.00
201
+ ATOM 201 C PTH 1 92.93 105.05 43.75 0.00 0.00
202
+ ATOM 202 C PTH 1 92.93 105.05 44.75 0.00 0.00
203
+ ATOM 203 C PTH 1 92.93 105.05 45.75 0.00 0.00
204
+ ATOM 204 C PTH 1 92.93 106.05 39.75 0.00 0.00
205
+ ATOM 205 C PTH 1 92.93 106.05 40.75 0.00 0.00
206
+ ATOM 206 C PTH 1 92.93 106.05 41.75 0.00 0.00
207
+ ATOM 207 C PTH 1 92.93 106.05 42.75 0.00 0.00
208
+ ATOM 208 C PTH 1 92.93 106.05 43.75 0.00 0.00
209
+ ATOM 209 C PTH 1 92.93 107.05 38.75 0.00 0.00
210
+ ATOM 210 C PTH 1 92.93 107.05 39.75 0.00 0.00
211
+ ATOM 211 C PTH 1 92.93 107.05 40.75 0.00 0.00
212
+ ATOM 212 C PTH 1 92.93 107.05 41.75 0.00 0.00
213
+ ATOM 213 C PTH 1 92.93 107.05 42.75 0.00 0.00
214
+ ATOM 214 C PTH 1 92.93 108.05 38.75 0.00 0.00
215
+ ATOM 215 C PTH 1 92.93 108.05 39.75 0.00 0.00
216
+ ATOM 216 C PTH 1 92.93 108.05 40.75 0.00 0.00
217
+ ATOM 217 C PTH 1 93.93 102.05 41.75 0.00 0.00
218
+ ATOM 218 C PTH 1 93.93 102.05 42.75 0.00 0.00
219
+ ATOM 219 C PTH 1 93.93 102.05 43.75 0.00 0.00
220
+ ATOM 220 C PTH 1 93.93 102.05 44.75 0.00 0.00
221
+ ATOM 221 C PTH 1 93.93 102.05 45.75 0.00 0.00
222
+ ATOM 222 C PTH 1 93.93 103.05 41.75 0.00 0.00
223
+ ATOM 223 C PTH 1 93.93 103.05 42.75 0.00 0.00
224
+ ATOM 224 C PTH 1 93.93 103.05 43.75 0.00 0.00
225
+ ATOM 225 C PTH 1 93.93 103.05 44.75 0.00 0.00
226
+ ATOM 226 C PTH 1 93.93 103.05 45.75 0.00 0.00
227
+ ATOM 227 C PTH 1 93.93 104.05 40.75 0.00 0.00
228
+ ATOM 228 C PTH 1 93.93 104.05 41.75 0.00 0.00
229
+ ATOM 229 C PTH 1 93.93 104.05 42.75 0.00 0.00
230
+ ATOM 230 C PTH 1 93.93 104.05 43.75 0.00 0.00
231
+ ATOM 231 C PTH 1 93.93 104.05 44.75 0.00 0.00
232
+ ATOM 232 C PTH 1 93.93 104.05 45.75 0.00 0.00
233
+ ATOM 233 C PTH 1 93.93 105.05 39.75 0.00 0.00
234
+ ATOM 234 C PTH 1 93.93 105.05 40.75 0.00 0.00
235
+ ATOM 235 C PTH 1 93.93 105.05 41.75 0.00 0.00
236
+ ATOM 236 C PTH 1 93.93 105.05 42.75 0.00 0.00
237
+ ATOM 237 C PTH 1 93.93 105.05 43.75 0.00 0.00
238
+ ATOM 238 C PTH 1 93.93 105.05 44.75 0.00 0.00
239
+ ATOM 239 C PTH 1 93.93 105.05 45.75 0.00 0.00
240
+ ATOM 240 C PTH 1 93.93 106.05 39.75 0.00 0.00
241
+ ATOM 241 C PTH 1 93.93 106.05 40.75 0.00 0.00
242
+ ATOM 242 C PTH 1 93.93 106.05 41.75 0.00 0.00
243
+ ATOM 243 C PTH 1 93.93 106.05 42.75 0.00 0.00
244
+ ATOM 244 C PTH 1 93.93 106.05 43.75 0.00 0.00
245
+ ATOM 245 C PTH 1 93.93 106.05 44.75 0.00 0.00
246
+ ATOM 246 C PTH 1 93.93 107.05 38.75 0.00 0.00
247
+ ATOM 247 C PTH 1 93.93 107.05 39.75 0.00 0.00
248
+ ATOM 248 C PTH 1 93.93 107.05 40.75 0.00 0.00
249
+ ATOM 249 C PTH 1 93.93 107.05 41.75 0.00 0.00
250
+ ATOM 250 C PTH 1 93.93 107.05 42.75 0.00 0.00
251
+ ATOM 251 C PTH 1 93.93 108.05 39.75 0.00 0.00
252
+ ATOM 252 C PTH 1 93.93 108.05 40.75 0.00 0.00
253
+ ATOM 253 C PTH 1 93.93 109.05 40.75 0.00 0.00
254
+ ATOM 254 C PTH 1 94.93 102.05 42.75 0.00 0.00
255
+ ATOM 255 C PTH 1 94.93 102.05 43.75 0.00 0.00
256
+ ATOM 256 C PTH 1 94.93 102.05 44.75 0.00 0.00
257
+ ATOM 257 C PTH 1 94.93 103.05 41.75 0.00 0.00
258
+ ATOM 258 C PTH 1 94.93 103.05 42.75 0.00 0.00
259
+ ATOM 259 C PTH 1 94.93 103.05 43.75 0.00 0.00
260
+ ATOM 260 C PTH 1 94.93 103.05 44.75 0.00 0.00
261
+ ATOM 261 C PTH 1 94.93 103.05 45.75 0.00 0.00
262
+ ATOM 262 C PTH 1 94.93 104.05 40.75 0.00 0.00
263
+ ATOM 263 C PTH 1 94.93 104.05 41.75 0.00 0.00
264
+ ATOM 264 C PTH 1 94.93 104.05 42.75 0.00 0.00
265
+ ATOM 265 C PTH 1 94.93 104.05 43.75 0.00 0.00
266
+ ATOM 266 C PTH 1 94.93 104.05 44.75 0.00 0.00
267
+ ATOM 267 C PTH 1 94.93 104.05 45.75 0.00 0.00
268
+ ATOM 268 C PTH 1 94.93 105.05 39.75 0.00 0.00
269
+ ATOM 269 C PTH 1 94.93 105.05 40.75 0.00 0.00
270
+ ATOM 270 C PTH 1 94.93 105.05 41.75 0.00 0.00
271
+ ATOM 271 C PTH 1 94.93 105.05 42.75 0.00 0.00
272
+ ATOM 272 C PTH 1 94.93 105.05 43.75 0.00 0.00
273
+ ATOM 273 C PTH 1 94.93 105.05 44.75 0.00 0.00
274
+ ATOM 274 C PTH 1 94.93 106.05 39.75 0.00 0.00
275
+ ATOM 275 C PTH 1 94.93 106.05 40.75 0.00 0.00
276
+ ATOM 276 C PTH 1 94.93 106.05 41.75 0.00 0.00
277
+ ATOM 277 C PTH 1 94.93 106.05 42.75 0.00 0.00
278
+ ATOM 278 C PTH 1 94.93 106.05 43.75 0.00 0.00
279
+ ATOM 279 C PTH 1 94.93 106.05 44.75 0.00 0.00
280
+ ATOM 280 C PTH 1 94.93 107.05 39.75 0.00 0.00
281
+ ATOM 281 C PTH 1 94.93 107.05 40.75 0.00 0.00
282
+ ATOM 282 C PTH 1 94.93 107.05 41.75 0.00 0.00
283
+ ATOM 283 C PTH 1 94.93 107.05 42.75 0.00 0.00
284
+ ATOM 284 C PTH 1 94.93 107.05 43.75 0.00 0.00
285
+ ATOM 285 C PTH 1 94.93 108.05 39.75 0.00 0.00
286
+ ATOM 286 C PTH 1 94.93 108.05 40.75 0.00 0.00
287
+ ATOM 287 C PTH 1 94.93 109.05 40.75 0.00 0.00
288
+ ATOM 288 C PTH 1 95.93 102.05 42.75 0.00 0.00
289
+ ATOM 289 C PTH 1 95.93 102.05 43.75 0.00 0.00
290
+ ATOM 290 C PTH 1 95.93 102.05 44.75 0.00 0.00
291
+ ATOM 291 C PTH 1 95.93 103.05 41.75 0.00 0.00
292
+ ATOM 292 C PTH 1 95.93 103.05 42.75 0.00 0.00
293
+ ATOM 293 C PTH 1 95.93 103.05 43.75 0.00 0.00
294
+ ATOM 294 C PTH 1 95.93 103.05 44.75 0.00 0.00
295
+ ATOM 295 C PTH 1 95.93 104.05 40.75 0.00 0.00
296
+ ATOM 296 C PTH 1 95.93 104.05 41.75 0.00 0.00
297
+ ATOM 297 C PTH 1 95.93 104.05 42.75 0.00 0.00
298
+ ATOM 298 C PTH 1 95.93 104.05 43.75 0.00 0.00
299
+ ATOM 299 C PTH 1 95.93 104.05 44.75 0.00 0.00
300
+ ATOM 300 C PTH 1 95.93 105.05 39.75 0.00 0.00
301
+ ATOM 301 C PTH 1 95.93 105.05 40.75 0.00 0.00
302
+ ATOM 302 C PTH 1 95.93 105.05 41.75 0.00 0.00
303
+ ATOM 303 C PTH 1 95.93 105.05 42.75 0.00 0.00
304
+ ATOM 304 C PTH 1 95.93 105.05 43.75 0.00 0.00
305
+ ATOM 305 C PTH 1 95.93 105.05 44.75 0.00 0.00
306
+ ATOM 306 C PTH 1 95.93 106.05 39.75 0.00 0.00
307
+ ATOM 307 C PTH 1 95.93 106.05 40.75 0.00 0.00
308
+ ATOM 308 C PTH 1 95.93 106.05 41.75 0.00 0.00
309
+ ATOM 309 C PTH 1 95.93 106.05 42.75 0.00 0.00
310
+ ATOM 310 C PTH 1 95.93 106.05 43.75 0.00 0.00
311
+ ATOM 311 C PTH 1 95.93 106.05 44.75 0.00 0.00
312
+ ATOM 312 C PTH 1 95.93 107.05 39.75 0.00 0.00
313
+ ATOM 313 C PTH 1 95.93 107.05 40.75 0.00 0.00
314
+ ATOM 314 C PTH 1 95.93 107.05 41.75 0.00 0.00
315
+ ATOM 315 C PTH 1 95.93 107.05 42.75 0.00 0.00
316
+ ATOM 316 C PTH 1 95.93 107.05 43.75 0.00 0.00
317
+ ATOM 317 C PTH 1 95.93 108.05 39.75 0.00 0.00
318
+ ATOM 318 C PTH 1 95.93 108.05 40.75 0.00 0.00
319
+ ATOM 319 C PTH 1 95.93 109.05 40.75 0.00 0.00
320
+ ATOM 320 C PTH 1 96.93 102.05 43.75 0.00 0.00
321
+ ATOM 321 C PTH 1 96.93 103.05 40.75 0.00 0.00
322
+ ATOM 322 C PTH 1 96.93 103.05 41.75 0.00 0.00
323
+ ATOM 323 C PTH 1 96.93 103.05 42.75 0.00 0.00
324
+ ATOM 324 C PTH 1 96.93 103.05 43.75 0.00 0.00
325
+ ATOM 325 C PTH 1 96.93 103.05 44.75 0.00 0.00
326
+ ATOM 326 C PTH 1 96.93 104.05 39.75 0.00 0.00
327
+ ATOM 327 C PTH 1 96.93 104.05 40.75 0.00 0.00
328
+ ATOM 328 C PTH 1 96.93 104.05 41.75 0.00 0.00
329
+ ATOM 329 C PTH 1 96.93 104.05 42.75 0.00 0.00
330
+ ATOM 330 C PTH 1 96.93 104.05 43.75 0.00 0.00
331
+ ATOM 331 C PTH 1 96.93 104.05 44.75 0.00 0.00
332
+ ATOM 332 C PTH 1 96.93 105.05 39.75 0.00 0.00
333
+ ATOM 333 C PTH 1 96.93 105.05 40.75 0.00 0.00
334
+ ATOM 334 C PTH 1 96.93 105.05 41.75 0.00 0.00
335
+ ATOM 335 C PTH 1 96.93 105.05 42.75 0.00 0.00
336
+ ATOM 336 C PTH 1 96.93 105.05 43.75 0.00 0.00
337
+ ATOM 337 C PTH 1 96.93 105.05 44.75 0.00 0.00
338
+ ATOM 338 C PTH 1 96.93 106.05 39.75 0.00 0.00
339
+ ATOM 339 C PTH 1 96.93 106.05 40.75 0.00 0.00
340
+ ATOM 340 C PTH 1 96.93 106.05 41.75 0.00 0.00
341
+ ATOM 341 C PTH 1 96.93 106.05 42.75 0.00 0.00
342
+ ATOM 342 C PTH 1 96.93 106.05 43.75 0.00 0.00
343
+ ATOM 343 C PTH 1 96.93 106.05 44.75 0.00 0.00
344
+ ATOM 344 C PTH 1 96.93 107.05 39.75 0.00 0.00
345
+ ATOM 345 C PTH 1 96.93 107.05 40.75 0.00 0.00
346
+ ATOM 346 C PTH 1 96.93 107.05 41.75 0.00 0.00
347
+ ATOM 347 C PTH 1 96.93 107.05 42.75 0.00 0.00
348
+ ATOM 348 C PTH 1 96.93 107.05 43.75 0.00 0.00
349
+ ATOM 349 C PTH 1 96.93 107.05 44.75 0.00 0.00
350
+ ATOM 350 C PTH 1 96.93 108.05 40.75 0.00 0.00
351
+ ATOM 351 C PTH 1 97.93 103.05 40.75 0.00 0.00
352
+ ATOM 352 C PTH 1 97.93 103.05 41.75 0.00 0.00
353
+ ATOM 353 C PTH 1 97.93 103.05 42.75 0.00 0.00
354
+ ATOM 354 C PTH 1 97.93 103.05 43.75 0.00 0.00
355
+ ATOM 355 C PTH 1 97.93 103.05 44.75 0.00 0.00
356
+ ATOM 356 C PTH 1 97.93 104.05 39.75 0.00 0.00
357
+ ATOM 357 C PTH 1 97.93 104.05 40.75 0.00 0.00
358
+ ATOM 358 C PTH 1 97.93 104.05 41.75 0.00 0.00
359
+ ATOM 359 C PTH 1 97.93 104.05 42.75 0.00 0.00
360
+ ATOM 360 C PTH 1 97.93 104.05 43.75 0.00 0.00
361
+ ATOM 361 C PTH 1 97.93 104.05 44.75 0.00 0.00
362
+ ATOM 362 C PTH 1 97.93 105.05 39.75 0.00 0.00
363
+ ATOM 363 C PTH 1 97.93 105.05 40.75 0.00 0.00
364
+ ATOM 364 C PTH 1 97.93 105.05 41.75 0.00 0.00
365
+ ATOM 365 C PTH 1 97.93 105.05 42.75 0.00 0.00
366
+ ATOM 366 C PTH 1 97.93 105.05 43.75 0.00 0.00
367
+ ATOM 367 C PTH 1 97.93 105.05 44.75 0.00 0.00
368
+ ATOM 368 C PTH 1 97.93 106.05 39.75 0.00 0.00
369
+ ATOM 369 C PTH 1 97.93 106.05 40.75 0.00 0.00
370
+ ATOM 370 C PTH 1 97.93 106.05 41.75 0.00 0.00
371
+ ATOM 371 C PTH 1 97.93 106.05 42.75 0.00 0.00
372
+ ATOM 372 C PTH 1 97.93 106.05 43.75 0.00 0.00
373
+ ATOM 373 C PTH 1 97.93 106.05 44.75 0.00 0.00
374
+ ATOM 374 C PTH 1 97.93 107.05 39.75 0.00 0.00
375
+ ATOM 375 C PTH 1 97.93 107.05 40.75 0.00 0.00
376
+ ATOM 376 C PTH 1 97.93 107.05 41.75 0.00 0.00
377
+ ATOM 377 C PTH 1 97.93 107.05 42.75 0.00 0.00
378
+ ATOM 378 C PTH 1 97.93 107.05 43.75 0.00 0.00
379
+ ATOM 379 C PTH 1 97.93 107.05 44.75 0.00 0.00
380
+ ATOM 380 C PTH 1 97.93 108.05 40.75 0.00 0.00
381
+ ATOM 381 C PTH 1 98.93 103.05 41.75 0.00 0.00
382
+ ATOM 382 C PTH 1 98.93 103.05 42.75 0.00 0.00
383
+ ATOM 383 C PTH 1 98.93 103.05 43.75 0.00 0.00
384
+ ATOM 384 C PTH 1 98.93 103.05 44.75 0.00 0.00
385
+ ATOM 385 C PTH 1 98.93 104.05 39.75 0.00 0.00
386
+ ATOM 386 C PTH 1 98.93 104.05 40.75 0.00 0.00
387
+ ATOM 387 C PTH 1 98.93 104.05 41.75 0.00 0.00
388
+ ATOM 388 C PTH 1 98.93 104.05 42.75 0.00 0.00
389
+ ATOM 389 C PTH 1 98.93 104.05 43.75 0.00 0.00
390
+ ATOM 390 C PTH 1 98.93 105.05 39.75 0.00 0.00
391
+ ATOM 391 C PTH 1 98.93 105.05 40.75 0.00 0.00
392
+ ATOM 392 C PTH 1 98.93 105.05 41.75 0.00 0.00
393
+ ATOM 393 C PTH 1 98.93 105.05 42.75 0.00 0.00
394
+ ATOM 394 C PTH 1 98.93 105.05 43.75 0.00 0.00
395
+ ATOM 395 C PTH 1 98.93 106.05 39.75 0.00 0.00
396
+ ATOM 396 C PTH 1 98.93 106.05 40.75 0.00 0.00
397
+ ATOM 397 C PTH 1 98.93 106.05 41.75 0.00 0.00
398
+ ATOM 398 C PTH 1 98.93 106.05 42.75 0.00 0.00
399
+ ATOM 399 C PTH 1 98.93 106.05 43.75 0.00 0.00
400
+ ATOM 400 C PTH 1 98.93 106.05 44.75 0.00 0.00
401
+ ATOM 401 C PTH 1 98.93 107.05 39.75 0.00 0.00
402
+ ATOM 402 C PTH 1 98.93 107.05 40.75 0.00 0.00
403
+ ATOM 403 C PTH 1 98.93 107.05 41.75 0.00 0.00
404
+ ATOM 404 C PTH 1 98.93 107.05 42.75 0.00 0.00
405
+ ATOM 405 C PTH 1 98.93 107.05 43.75 0.00 0.00
406
+ ATOM 406 C PTH 1 98.93 107.05 44.75 0.00 0.00
407
+ ATOM 407 C PTH 1 98.93 108.05 41.75 0.00 0.00
408
+ ATOM 408 C PTH 1 98.93 108.05 42.75 0.00 0.00
409
+ ATOM 409 C PTH 1 98.93 108.05 43.75 0.00 0.00
410
+ ATOM 410 C PTH 1 98.93 108.05 44.75 0.00 0.00
411
+ ATOM 411 C PTH 1 98.93 108.05 45.75 0.00 0.00
412
+ ATOM 412 C PTH 1 99.93 104.05 40.75 0.00 0.00
413
+ ATOM 413 C PTH 1 99.93 104.05 41.75 0.00 0.00
414
+ ATOM 414 C PTH 1 99.93 104.05 42.75 0.00 0.00
415
+ ATOM 415 C PTH 1 99.93 104.05 43.75 0.00 0.00
416
+ ATOM 416 C PTH 1 99.93 105.05 39.75 0.00 0.00
417
+ ATOM 417 C PTH 1 99.93 105.05 40.75 0.00 0.00
418
+ ATOM 418 C PTH 1 99.93 105.05 41.75 0.00 0.00
419
+ ATOM 419 C PTH 1 99.93 105.05 42.75 0.00 0.00
420
+ ATOM 420 C PTH 1 99.93 105.05 43.75 0.00 0.00
421
+ ATOM 421 C PTH 1 99.93 106.05 39.75 0.00 0.00
422
+ ATOM 422 C PTH 1 99.93 106.05 40.75 0.00 0.00
423
+ ATOM 423 C PTH 1 99.93 106.05 41.75 0.00 0.00
424
+ ATOM 424 C PTH 1 99.93 106.05 42.75 0.00 0.00
425
+ ATOM 425 C PTH 1 99.93 106.05 43.75 0.00 0.00
426
+ ATOM 426 C PTH 1 99.93 106.05 44.75 0.00 0.00
427
+ ATOM 427 C PTH 1 99.93 107.05 40.75 0.00 0.00
428
+ ATOM 428 C PTH 1 99.93 107.05 41.75 0.00 0.00
429
+ ATOM 429 C PTH 1 99.93 107.05 42.75 0.00 0.00
430
+ ATOM 430 C PTH 1 99.93 107.05 43.75 0.00 0.00
431
+ ATOM 431 C PTH 1 99.93 107.05 44.75 0.00 0.00
432
+ ATOM 432 C PTH 1 99.93 108.05 42.75 0.00 0.00
433
+ ATOM 433 C PTH 1 99.93 108.05 43.75 0.00 0.00
434
+ ATOM 434 C PTH 1 99.93 108.05 44.75 0.00 0.00
435
+ ATOM 435 C PTH 1 99.93 108.05 45.75 0.00 0.00
436
+ ATOM 436 C PTH 1 99.93 109.05 44.75 0.00 0.00
437
+ ATOM 437 C PTH 1 99.93 109.05 45.75 0.00 0.00
438
+ ATOM 438 C PTH 1 100.93 104.05 41.75 0.00 0.00
439
+ ATOM 439 C PTH 1 100.93 105.05 40.75 0.00 0.00
440
+ ATOM 440 C PTH 1 100.93 105.05 41.75 0.00 0.00
441
+ ATOM 441 C PTH 1 100.93 105.05 42.75 0.00 0.00
442
+ ATOM 442 C PTH 1 100.93 106.05 40.75 0.00 0.00
443
+ ATOM 443 C PTH 1 100.93 106.05 41.75 0.00 0.00
444
+ ATOM 444 C PTH 1 100.93 106.05 42.75 0.00 0.00
445
+ ATOM 445 C PTH 1 100.93 107.05 42.75 0.00 0.00
data/files/A000T/pocket_03.pdb ADDED
@@ -0,0 +1,432 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 87.93 71.05 50.75 0.00 0.00
2
+ ATOM 2 C PTH 1 88.93 69.05 49.75 0.00 0.00
3
+ ATOM 3 C PTH 1 88.93 69.05 50.75 0.00 0.00
4
+ ATOM 4 C PTH 1 88.93 69.05 51.75 0.00 0.00
5
+ ATOM 5 C PTH 1 88.93 70.05 49.75 0.00 0.00
6
+ ATOM 6 C PTH 1 88.93 70.05 50.75 0.00 0.00
7
+ ATOM 7 C PTH 1 88.93 70.05 51.75 0.00 0.00
8
+ ATOM 8 C PTH 1 88.93 71.05 49.75 0.00 0.00
9
+ ATOM 9 C PTH 1 88.93 71.05 50.75 0.00 0.00
10
+ ATOM 10 C PTH 1 88.93 71.05 51.75 0.00 0.00
11
+ ATOM 11 C PTH 1 89.93 69.05 49.75 0.00 0.00
12
+ ATOM 12 C PTH 1 89.93 69.05 50.75 0.00 0.00
13
+ ATOM 13 C PTH 1 89.93 69.05 51.75 0.00 0.00
14
+ ATOM 14 C PTH 1 89.93 70.05 49.75 0.00 0.00
15
+ ATOM 15 C PTH 1 89.93 70.05 50.75 0.00 0.00
16
+ ATOM 16 C PTH 1 89.93 70.05 51.75 0.00 0.00
17
+ ATOM 17 C PTH 1 89.93 71.05 49.75 0.00 0.00
18
+ ATOM 18 C PTH 1 89.93 71.05 50.75 0.00 0.00
19
+ ATOM 19 C PTH 1 89.93 71.05 51.75 0.00 0.00
20
+ ATOM 20 C PTH 1 89.93 72.05 50.75 0.00 0.00
21
+ ATOM 21 C PTH 1 89.93 72.05 51.75 0.00 0.00
22
+ ATOM 22 C PTH 1 90.93 69.05 49.75 0.00 0.00
23
+ ATOM 23 C PTH 1 90.93 69.05 50.75 0.00 0.00
24
+ ATOM 24 C PTH 1 90.93 69.05 51.75 0.00 0.00
25
+ ATOM 25 C PTH 1 90.93 69.05 52.75 0.00 0.00
26
+ ATOM 26 C PTH 1 90.93 70.05 49.75 0.00 0.00
27
+ ATOM 27 C PTH 1 90.93 70.05 50.75 0.00 0.00
28
+ ATOM 28 C PTH 1 90.93 70.05 51.75 0.00 0.00
29
+ ATOM 29 C PTH 1 90.93 70.05 52.75 0.00 0.00
30
+ ATOM 30 C PTH 1 90.93 71.05 48.75 0.00 0.00
31
+ ATOM 31 C PTH 1 90.93 71.05 49.75 0.00 0.00
32
+ ATOM 32 C PTH 1 90.93 71.05 50.75 0.00 0.00
33
+ ATOM 33 C PTH 1 90.93 71.05 51.75 0.00 0.00
34
+ ATOM 34 C PTH 1 90.93 71.05 52.75 0.00 0.00
35
+ ATOM 35 C PTH 1 90.93 72.05 49.75 0.00 0.00
36
+ ATOM 36 C PTH 1 90.93 72.05 50.75 0.00 0.00
37
+ ATOM 37 C PTH 1 90.93 72.05 51.75 0.00 0.00
38
+ ATOM 38 C PTH 1 90.93 72.05 52.75 0.00 0.00
39
+ ATOM 39 C PTH 1 91.93 69.05 49.75 0.00 0.00
40
+ ATOM 40 C PTH 1 91.93 69.05 50.75 0.00 0.00
41
+ ATOM 41 C PTH 1 91.93 69.05 51.75 0.00 0.00
42
+ ATOM 42 C PTH 1 91.93 70.05 48.75 0.00 0.00
43
+ ATOM 43 C PTH 1 91.93 70.05 49.75 0.00 0.00
44
+ ATOM 44 C PTH 1 91.93 70.05 50.75 0.00 0.00
45
+ ATOM 45 C PTH 1 91.93 70.05 51.75 0.00 0.00
46
+ ATOM 46 C PTH 1 91.93 70.05 52.75 0.00 0.00
47
+ ATOM 47 C PTH 1 91.93 71.05 48.75 0.00 0.00
48
+ ATOM 48 C PTH 1 91.93 71.05 49.75 0.00 0.00
49
+ ATOM 49 C PTH 1 91.93 71.05 50.75 0.00 0.00
50
+ ATOM 50 C PTH 1 91.93 71.05 51.75 0.00 0.00
51
+ ATOM 51 C PTH 1 91.93 71.05 52.75 0.00 0.00
52
+ ATOM 52 C PTH 1 91.93 72.05 49.75 0.00 0.00
53
+ ATOM 53 C PTH 1 91.93 72.05 50.75 0.00 0.00
54
+ ATOM 54 C PTH 1 91.93 72.05 51.75 0.00 0.00
55
+ ATOM 55 C PTH 1 91.93 72.05 52.75 0.00 0.00
56
+ ATOM 56 C PTH 1 92.93 69.05 50.75 0.00 0.00
57
+ ATOM 57 C PTH 1 92.93 69.05 51.75 0.00 0.00
58
+ ATOM 58 C PTH 1 92.93 70.05 42.75 0.00 0.00
59
+ ATOM 59 C PTH 1 92.93 70.05 43.75 0.00 0.00
60
+ ATOM 60 C PTH 1 92.93 70.05 44.75 0.00 0.00
61
+ ATOM 61 C PTH 1 92.93 70.05 48.75 0.00 0.00
62
+ ATOM 62 C PTH 1 92.93 70.05 49.75 0.00 0.00
63
+ ATOM 63 C PTH 1 92.93 70.05 50.75 0.00 0.00
64
+ ATOM 64 C PTH 1 92.93 70.05 51.75 0.00 0.00
65
+ ATOM 65 C PTH 1 92.93 71.05 47.75 0.00 0.00
66
+ ATOM 66 C PTH 1 92.93 71.05 48.75 0.00 0.00
67
+ ATOM 67 C PTH 1 92.93 71.05 49.75 0.00 0.00
68
+ ATOM 68 C PTH 1 92.93 71.05 50.75 0.00 0.00
69
+ ATOM 69 C PTH 1 92.93 71.05 51.75 0.00 0.00
70
+ ATOM 70 C PTH 1 92.93 71.05 52.75 0.00 0.00
71
+ ATOM 71 C PTH 1 92.93 72.05 48.75 0.00 0.00
72
+ ATOM 72 C PTH 1 92.93 72.05 49.75 0.00 0.00
73
+ ATOM 73 C PTH 1 92.93 72.05 50.75 0.00 0.00
74
+ ATOM 74 C PTH 1 92.93 72.05 51.75 0.00 0.00
75
+ ATOM 75 C PTH 1 92.93 72.05 52.75 0.00 0.00
76
+ ATOM 76 C PTH 1 92.93 73.05 49.75 0.00 0.00
77
+ ATOM 77 C PTH 1 92.93 73.05 50.75 0.00 0.00
78
+ ATOM 78 C PTH 1 92.93 73.05 51.75 0.00 0.00
79
+ ATOM 79 C PTH 1 92.93 73.05 52.75 0.00 0.00
80
+ ATOM 80 C PTH 1 92.93 74.05 51.75 0.00 0.00
81
+ ATOM 81 C PTH 1 92.93 74.05 52.75 0.00 0.00
82
+ ATOM 82 C PTH 1 93.93 68.05 43.75 0.00 0.00
83
+ ATOM 83 C PTH 1 93.93 69.05 42.75 0.00 0.00
84
+ ATOM 84 C PTH 1 93.93 69.05 43.75 0.00 0.00
85
+ ATOM 85 C PTH 1 93.93 69.05 44.75 0.00 0.00
86
+ ATOM 86 C PTH 1 93.93 69.05 45.75 0.00 0.00
87
+ ATOM 87 C PTH 1 93.93 70.05 42.75 0.00 0.00
88
+ ATOM 88 C PTH 1 93.93 70.05 43.75 0.00 0.00
89
+ ATOM 89 C PTH 1 93.93 70.05 44.75 0.00 0.00
90
+ ATOM 90 C PTH 1 93.93 70.05 45.75 0.00 0.00
91
+ ATOM 91 C PTH 1 93.93 70.05 46.75 0.00 0.00
92
+ ATOM 92 C PTH 1 93.93 70.05 47.75 0.00 0.00
93
+ ATOM 93 C PTH 1 93.93 70.05 48.75 0.00 0.00
94
+ ATOM 94 C PTH 1 93.93 70.05 49.75 0.00 0.00
95
+ ATOM 95 C PTH 1 93.93 70.05 50.75 0.00 0.00
96
+ ATOM 96 C PTH 1 93.93 70.05 51.75 0.00 0.00
97
+ ATOM 97 C PTH 1 93.93 71.05 42.75 0.00 0.00
98
+ ATOM 98 C PTH 1 93.93 71.05 43.75 0.00 0.00
99
+ ATOM 99 C PTH 1 93.93 71.05 44.75 0.00 0.00
100
+ ATOM 100 C PTH 1 93.93 71.05 45.75 0.00 0.00
101
+ ATOM 101 C PTH 1 93.93 71.05 46.75 0.00 0.00
102
+ ATOM 102 C PTH 1 93.93 71.05 47.75 0.00 0.00
103
+ ATOM 103 C PTH 1 93.93 71.05 48.75 0.00 0.00
104
+ ATOM 104 C PTH 1 93.93 71.05 49.75 0.00 0.00
105
+ ATOM 105 C PTH 1 93.93 71.05 50.75 0.00 0.00
106
+ ATOM 106 C PTH 1 93.93 71.05 51.75 0.00 0.00
107
+ ATOM 107 C PTH 1 93.93 71.05 52.75 0.00 0.00
108
+ ATOM 108 C PTH 1 93.93 72.05 46.75 0.00 0.00
109
+ ATOM 109 C PTH 1 93.93 72.05 47.75 0.00 0.00
110
+ ATOM 110 C PTH 1 93.93 72.05 48.75 0.00 0.00
111
+ ATOM 111 C PTH 1 93.93 72.05 49.75 0.00 0.00
112
+ ATOM 112 C PTH 1 93.93 72.05 50.75 0.00 0.00
113
+ ATOM 113 C PTH 1 93.93 72.05 51.75 0.00 0.00
114
+ ATOM 114 C PTH 1 93.93 72.05 52.75 0.00 0.00
115
+ ATOM 115 C PTH 1 93.93 72.05 53.75 0.00 0.00
116
+ ATOM 116 C PTH 1 93.93 73.05 47.75 0.00 0.00
117
+ ATOM 117 C PTH 1 93.93 73.05 48.75 0.00 0.00
118
+ ATOM 118 C PTH 1 93.93 73.05 49.75 0.00 0.00
119
+ ATOM 119 C PTH 1 93.93 73.05 50.75 0.00 0.00
120
+ ATOM 120 C PTH 1 93.93 73.05 51.75 0.00 0.00
121
+ ATOM 121 C PTH 1 93.93 73.05 52.75 0.00 0.00
122
+ ATOM 122 C PTH 1 93.93 73.05 53.75 0.00 0.00
123
+ ATOM 123 C PTH 1 93.93 74.05 50.75 0.00 0.00
124
+ ATOM 124 C PTH 1 93.93 74.05 51.75 0.00 0.00
125
+ ATOM 125 C PTH 1 93.93 74.05 52.75 0.00 0.00
126
+ ATOM 126 C PTH 1 93.93 74.05 53.75 0.00 0.00
127
+ ATOM 127 C PTH 1 93.93 75.05 50.75 0.00 0.00
128
+ ATOM 128 C PTH 1 93.93 75.05 51.75 0.00 0.00
129
+ ATOM 129 C PTH 1 93.93 75.05 52.75 0.00 0.00
130
+ ATOM 130 C PTH 1 93.93 76.05 50.75 0.00 0.00
131
+ ATOM 131 C PTH 1 93.93 76.05 51.75 0.00 0.00
132
+ ATOM 132 C PTH 1 93.93 76.05 52.75 0.00 0.00
133
+ ATOM 133 C PTH 1 94.93 68.05 43.75 0.00 0.00
134
+ ATOM 134 C PTH 1 94.93 68.05 44.75 0.00 0.00
135
+ ATOM 135 C PTH 1 94.93 68.05 45.75 0.00 0.00
136
+ ATOM 136 C PTH 1 94.93 69.05 42.75 0.00 0.00
137
+ ATOM 137 C PTH 1 94.93 69.05 43.75 0.00 0.00
138
+ ATOM 138 C PTH 1 94.93 69.05 44.75 0.00 0.00
139
+ ATOM 139 C PTH 1 94.93 69.05 45.75 0.00 0.00
140
+ ATOM 140 C PTH 1 94.93 69.05 46.75 0.00 0.00
141
+ ATOM 141 C PTH 1 94.93 70.05 42.75 0.00 0.00
142
+ ATOM 142 C PTH 1 94.93 70.05 43.75 0.00 0.00
143
+ ATOM 143 C PTH 1 94.93 70.05 44.75 0.00 0.00
144
+ ATOM 144 C PTH 1 94.93 70.05 45.75 0.00 0.00
145
+ ATOM 145 C PTH 1 94.93 70.05 46.75 0.00 0.00
146
+ ATOM 146 C PTH 1 94.93 70.05 47.75 0.00 0.00
147
+ ATOM 147 C PTH 1 94.93 70.05 48.75 0.00 0.00
148
+ ATOM 148 C PTH 1 94.93 70.05 49.75 0.00 0.00
149
+ ATOM 149 C PTH 1 94.93 71.05 42.75 0.00 0.00
150
+ ATOM 150 C PTH 1 94.93 71.05 43.75 0.00 0.00
151
+ ATOM 151 C PTH 1 94.93 71.05 44.75 0.00 0.00
152
+ ATOM 152 C PTH 1 94.93 71.05 45.75 0.00 0.00
153
+ ATOM 153 C PTH 1 94.93 71.05 46.75 0.00 0.00
154
+ ATOM 154 C PTH 1 94.93 71.05 47.75 0.00 0.00
155
+ ATOM 155 C PTH 1 94.93 71.05 48.75 0.00 0.00
156
+ ATOM 156 C PTH 1 94.93 71.05 49.75 0.00 0.00
157
+ ATOM 157 C PTH 1 94.93 71.05 50.75 0.00 0.00
158
+ ATOM 158 C PTH 1 94.93 71.05 51.75 0.00 0.00
159
+ ATOM 159 C PTH 1 94.93 71.05 52.75 0.00 0.00
160
+ ATOM 160 C PTH 1 94.93 72.05 46.75 0.00 0.00
161
+ ATOM 161 C PTH 1 94.93 72.05 47.75 0.00 0.00
162
+ ATOM 162 C PTH 1 94.93 72.05 48.75 0.00 0.00
163
+ ATOM 163 C PTH 1 94.93 72.05 49.75 0.00 0.00
164
+ ATOM 164 C PTH 1 94.93 72.05 50.75 0.00 0.00
165
+ ATOM 165 C PTH 1 94.93 72.05 51.75 0.00 0.00
166
+ ATOM 166 C PTH 1 94.93 72.05 52.75 0.00 0.00
167
+ ATOM 167 C PTH 1 94.93 72.05 53.75 0.00 0.00
168
+ ATOM 168 C PTH 1 94.93 73.05 47.75 0.00 0.00
169
+ ATOM 169 C PTH 1 94.93 73.05 48.75 0.00 0.00
170
+ ATOM 170 C PTH 1 94.93 73.05 49.75 0.00 0.00
171
+ ATOM 171 C PTH 1 94.93 73.05 50.75 0.00 0.00
172
+ ATOM 172 C PTH 1 94.93 73.05 51.75 0.00 0.00
173
+ ATOM 173 C PTH 1 94.93 73.05 52.75 0.00 0.00
174
+ ATOM 174 C PTH 1 94.93 73.05 53.75 0.00 0.00
175
+ ATOM 175 C PTH 1 94.93 74.05 49.75 0.00 0.00
176
+ ATOM 176 C PTH 1 94.93 74.05 50.75 0.00 0.00
177
+ ATOM 177 C PTH 1 94.93 74.05 51.75 0.00 0.00
178
+ ATOM 178 C PTH 1 94.93 74.05 52.75 0.00 0.00
179
+ ATOM 179 C PTH 1 94.93 74.05 53.75 0.00 0.00
180
+ ATOM 180 C PTH 1 94.93 74.05 54.75 0.00 0.00
181
+ ATOM 181 C PTH 1 94.93 75.05 50.75 0.00 0.00
182
+ ATOM 182 C PTH 1 94.93 75.05 51.75 0.00 0.00
183
+ ATOM 183 C PTH 1 94.93 75.05 52.75 0.00 0.00
184
+ ATOM 184 C PTH 1 94.93 75.05 53.75 0.00 0.00
185
+ ATOM 185 C PTH 1 94.93 76.05 50.75 0.00 0.00
186
+ ATOM 186 C PTH 1 94.93 76.05 51.75 0.00 0.00
187
+ ATOM 187 C PTH 1 94.93 76.05 52.75 0.00 0.00
188
+ ATOM 188 C PTH 1 94.93 76.05 53.75 0.00 0.00
189
+ ATOM 189 C PTH 1 94.93 77.05 50.75 0.00 0.00
190
+ ATOM 190 C PTH 1 94.93 77.05 51.75 0.00 0.00
191
+ ATOM 191 C PTH 1 94.93 77.05 52.75 0.00 0.00
192
+ ATOM 192 C PTH 1 94.93 77.05 53.75 0.00 0.00
193
+ ATOM 193 C PTH 1 94.93 78.05 51.75 0.00 0.00
194
+ ATOM 194 C PTH 1 95.93 68.05 42.75 0.00 0.00
195
+ ATOM 195 C PTH 1 95.93 68.05 43.75 0.00 0.00
196
+ ATOM 196 C PTH 1 95.93 68.05 44.75 0.00 0.00
197
+ ATOM 197 C PTH 1 95.93 68.05 45.75 0.00 0.00
198
+ ATOM 198 C PTH 1 95.93 69.05 42.75 0.00 0.00
199
+ ATOM 199 C PTH 1 95.93 69.05 43.75 0.00 0.00
200
+ ATOM 200 C PTH 1 95.93 69.05 44.75 0.00 0.00
201
+ ATOM 201 C PTH 1 95.93 69.05 45.75 0.00 0.00
202
+ ATOM 202 C PTH 1 95.93 69.05 46.75 0.00 0.00
203
+ ATOM 203 C PTH 1 95.93 70.05 42.75 0.00 0.00
204
+ ATOM 204 C PTH 1 95.93 70.05 43.75 0.00 0.00
205
+ ATOM 205 C PTH 1 95.93 70.05 44.75 0.00 0.00
206
+ ATOM 206 C PTH 1 95.93 70.05 45.75 0.00 0.00
207
+ ATOM 207 C PTH 1 95.93 70.05 46.75 0.00 0.00
208
+ ATOM 208 C PTH 1 95.93 70.05 47.75 0.00 0.00
209
+ ATOM 209 C PTH 1 95.93 70.05 48.75 0.00 0.00
210
+ ATOM 210 C PTH 1 95.93 70.05 49.75 0.00 0.00
211
+ ATOM 211 C PTH 1 95.93 71.05 42.75 0.00 0.00
212
+ ATOM 212 C PTH 1 95.93 71.05 43.75 0.00 0.00
213
+ ATOM 213 C PTH 1 95.93 71.05 44.75 0.00 0.00
214
+ ATOM 214 C PTH 1 95.93 71.05 45.75 0.00 0.00
215
+ ATOM 215 C PTH 1 95.93 71.05 46.75 0.00 0.00
216
+ ATOM 216 C PTH 1 95.93 71.05 47.75 0.00 0.00
217
+ ATOM 217 C PTH 1 95.93 71.05 48.75 0.00 0.00
218
+ ATOM 218 C PTH 1 95.93 71.05 49.75 0.00 0.00
219
+ ATOM 219 C PTH 1 95.93 71.05 50.75 0.00 0.00
220
+ ATOM 220 C PTH 1 95.93 71.05 51.75 0.00 0.00
221
+ ATOM 221 C PTH 1 95.93 72.05 44.75 0.00 0.00
222
+ ATOM 222 C PTH 1 95.93 72.05 45.75 0.00 0.00
223
+ ATOM 223 C PTH 1 95.93 72.05 46.75 0.00 0.00
224
+ ATOM 224 C PTH 1 95.93 72.05 47.75 0.00 0.00
225
+ ATOM 225 C PTH 1 95.93 72.05 48.75 0.00 0.00
226
+ ATOM 226 C PTH 1 95.93 72.05 49.75 0.00 0.00
227
+ ATOM 227 C PTH 1 95.93 72.05 50.75 0.00 0.00
228
+ ATOM 228 C PTH 1 95.93 72.05 51.75 0.00 0.00
229
+ ATOM 229 C PTH 1 95.93 72.05 52.75 0.00 0.00
230
+ ATOM 230 C PTH 1 95.93 73.05 48.75 0.00 0.00
231
+ ATOM 231 C PTH 1 95.93 73.05 49.75 0.00 0.00
232
+ ATOM 232 C PTH 1 95.93 73.05 50.75 0.00 0.00
233
+ ATOM 233 C PTH 1 95.93 73.05 51.75 0.00 0.00
234
+ ATOM 234 C PTH 1 95.93 73.05 52.75 0.00 0.00
235
+ ATOM 235 C PTH 1 95.93 73.05 53.75 0.00 0.00
236
+ ATOM 236 C PTH 1 95.93 74.05 49.75 0.00 0.00
237
+ ATOM 237 C PTH 1 95.93 74.05 50.75 0.00 0.00
238
+ ATOM 238 C PTH 1 95.93 74.05 51.75 0.00 0.00
239
+ ATOM 239 C PTH 1 95.93 74.05 52.75 0.00 0.00
240
+ ATOM 240 C PTH 1 95.93 74.05 53.75 0.00 0.00
241
+ ATOM 241 C PTH 1 95.93 74.05 54.75 0.00 0.00
242
+ ATOM 242 C PTH 1 95.93 75.05 50.75 0.00 0.00
243
+ ATOM 243 C PTH 1 95.93 75.05 51.75 0.00 0.00
244
+ ATOM 244 C PTH 1 95.93 75.05 52.75 0.00 0.00
245
+ ATOM 245 C PTH 1 95.93 75.05 53.75 0.00 0.00
246
+ ATOM 246 C PTH 1 95.93 75.05 54.75 0.00 0.00
247
+ ATOM 247 C PTH 1 95.93 76.05 50.75 0.00 0.00
248
+ ATOM 248 C PTH 1 95.93 76.05 51.75 0.00 0.00
249
+ ATOM 249 C PTH 1 95.93 76.05 52.75 0.00 0.00
250
+ ATOM 250 C PTH 1 95.93 76.05 53.75 0.00 0.00
251
+ ATOM 251 C PTH 1 95.93 76.05 54.75 0.00 0.00
252
+ ATOM 252 C PTH 1 95.93 77.05 50.75 0.00 0.00
253
+ ATOM 253 C PTH 1 95.93 77.05 51.75 0.00 0.00
254
+ ATOM 254 C PTH 1 95.93 77.05 52.75 0.00 0.00
255
+ ATOM 255 C PTH 1 95.93 77.05 53.75 0.00 0.00
256
+ ATOM 256 C PTH 1 95.93 78.05 51.75 0.00 0.00
257
+ ATOM 257 C PTH 1 95.93 78.05 52.75 0.00 0.00
258
+ ATOM 258 C PTH 1 96.93 68.05 43.75 0.00 0.00
259
+ ATOM 259 C PTH 1 96.93 68.05 44.75 0.00 0.00
260
+ ATOM 260 C PTH 1 96.93 68.05 45.75 0.00 0.00
261
+ ATOM 261 C PTH 1 96.93 68.05 46.75 0.00 0.00
262
+ ATOM 262 C PTH 1 96.93 69.05 42.75 0.00 0.00
263
+ ATOM 263 C PTH 1 96.93 69.05 43.75 0.00 0.00
264
+ ATOM 264 C PTH 1 96.93 69.05 44.75 0.00 0.00
265
+ ATOM 265 C PTH 1 96.93 69.05 45.75 0.00 0.00
266
+ ATOM 266 C PTH 1 96.93 69.05 46.75 0.00 0.00
267
+ ATOM 267 C PTH 1 96.93 69.05 47.75 0.00 0.00
268
+ ATOM 268 C PTH 1 96.93 70.05 42.75 0.00 0.00
269
+ ATOM 269 C PTH 1 96.93 70.05 43.75 0.00 0.00
270
+ ATOM 270 C PTH 1 96.93 70.05 44.75 0.00 0.00
271
+ ATOM 271 C PTH 1 96.93 70.05 45.75 0.00 0.00
272
+ ATOM 272 C PTH 1 96.93 70.05 46.75 0.00 0.00
273
+ ATOM 273 C PTH 1 96.93 70.05 47.75 0.00 0.00
274
+ ATOM 274 C PTH 1 96.93 70.05 48.75 0.00 0.00
275
+ ATOM 275 C PTH 1 96.93 71.05 42.75 0.00 0.00
276
+ ATOM 276 C PTH 1 96.93 71.05 43.75 0.00 0.00
277
+ ATOM 277 C PTH 1 96.93 71.05 44.75 0.00 0.00
278
+ ATOM 278 C PTH 1 96.93 71.05 45.75 0.00 0.00
279
+ ATOM 279 C PTH 1 96.93 71.05 46.75 0.00 0.00
280
+ ATOM 280 C PTH 1 96.93 71.05 47.75 0.00 0.00
281
+ ATOM 281 C PTH 1 96.93 71.05 48.75 0.00 0.00
282
+ ATOM 282 C PTH 1 96.93 71.05 49.75 0.00 0.00
283
+ ATOM 283 C PTH 1 96.93 72.05 44.75 0.00 0.00
284
+ ATOM 284 C PTH 1 96.93 72.05 45.75 0.00 0.00
285
+ ATOM 285 C PTH 1 96.93 72.05 46.75 0.00 0.00
286
+ ATOM 286 C PTH 1 96.93 72.05 47.75 0.00 0.00
287
+ ATOM 287 C PTH 1 96.93 72.05 48.75 0.00 0.00
288
+ ATOM 288 C PTH 1 96.93 72.05 49.75 0.00 0.00
289
+ ATOM 289 C PTH 1 96.93 72.05 50.75 0.00 0.00
290
+ ATOM 290 C PTH 1 96.93 72.05 51.75 0.00 0.00
291
+ ATOM 291 C PTH 1 96.93 72.05 52.75 0.00 0.00
292
+ ATOM 292 C PTH 1 96.93 73.05 47.75 0.00 0.00
293
+ ATOM 293 C PTH 1 96.93 73.05 48.75 0.00 0.00
294
+ ATOM 294 C PTH 1 96.93 73.05 49.75 0.00 0.00
295
+ ATOM 295 C PTH 1 96.93 73.05 50.75 0.00 0.00
296
+ ATOM 296 C PTH 1 96.93 73.05 51.75 0.00 0.00
297
+ ATOM 297 C PTH 1 96.93 73.05 52.75 0.00 0.00
298
+ ATOM 298 C PTH 1 96.93 73.05 53.75 0.00 0.00
299
+ ATOM 299 C PTH 1 96.93 74.05 50.75 0.00 0.00
300
+ ATOM 300 C PTH 1 96.93 74.05 51.75 0.00 0.00
301
+ ATOM 301 C PTH 1 96.93 74.05 52.75 0.00 0.00
302
+ ATOM 302 C PTH 1 96.93 74.05 53.75 0.00 0.00
303
+ ATOM 303 C PTH 1 96.93 74.05 54.75 0.00 0.00
304
+ ATOM 304 C PTH 1 96.93 75.05 50.75 0.00 0.00
305
+ ATOM 305 C PTH 1 96.93 75.05 51.75 0.00 0.00
306
+ ATOM 306 C PTH 1 96.93 75.05 52.75 0.00 0.00
307
+ ATOM 307 C PTH 1 96.93 75.05 53.75 0.00 0.00
308
+ ATOM 308 C PTH 1 96.93 75.05 54.75 0.00 0.00
309
+ ATOM 309 C PTH 1 96.93 76.05 50.75 0.00 0.00
310
+ ATOM 310 C PTH 1 96.93 76.05 51.75 0.00 0.00
311
+ ATOM 311 C PTH 1 96.93 76.05 52.75 0.00 0.00
312
+ ATOM 312 C PTH 1 96.93 76.05 53.75 0.00 0.00
313
+ ATOM 313 C PTH 1 96.93 76.05 54.75 0.00 0.00
314
+ ATOM 314 C PTH 1 96.93 77.05 50.75 0.00 0.00
315
+ ATOM 315 C PTH 1 96.93 77.05 51.75 0.00 0.00
316
+ ATOM 316 C PTH 1 96.93 77.05 52.75 0.00 0.00
317
+ ATOM 317 C PTH 1 96.93 77.05 53.75 0.00 0.00
318
+ ATOM 318 C PTH 1 96.93 77.05 54.75 0.00 0.00
319
+ ATOM 319 C PTH 1 96.93 78.05 51.75 0.00 0.00
320
+ ATOM 320 C PTH 1 96.93 78.05 52.75 0.00 0.00
321
+ ATOM 321 C PTH 1 97.93 68.05 43.75 0.00 0.00
322
+ ATOM 322 C PTH 1 97.93 68.05 44.75 0.00 0.00
323
+ ATOM 323 C PTH 1 97.93 68.05 45.75 0.00 0.00
324
+ ATOM 324 C PTH 1 97.93 68.05 46.75 0.00 0.00
325
+ ATOM 325 C PTH 1 97.93 69.05 42.75 0.00 0.00
326
+ ATOM 326 C PTH 1 97.93 69.05 43.75 0.00 0.00
327
+ ATOM 327 C PTH 1 97.93 69.05 44.75 0.00 0.00
328
+ ATOM 328 C PTH 1 97.93 69.05 45.75 0.00 0.00
329
+ ATOM 329 C PTH 1 97.93 69.05 46.75 0.00 0.00
330
+ ATOM 330 C PTH 1 97.93 70.05 42.75 0.00 0.00
331
+ ATOM 331 C PTH 1 97.93 70.05 43.75 0.00 0.00
332
+ ATOM 332 C PTH 1 97.93 70.05 44.75 0.00 0.00
333
+ ATOM 333 C PTH 1 97.93 70.05 45.75 0.00 0.00
334
+ ATOM 334 C PTH 1 97.93 70.05 46.75 0.00 0.00
335
+ ATOM 335 C PTH 1 97.93 70.05 47.75 0.00 0.00
336
+ ATOM 336 C PTH 1 97.93 71.05 42.75 0.00 0.00
337
+ ATOM 337 C PTH 1 97.93 71.05 43.75 0.00 0.00
338
+ ATOM 338 C PTH 1 97.93 71.05 44.75 0.00 0.00
339
+ ATOM 339 C PTH 1 97.93 71.05 45.75 0.00 0.00
340
+ ATOM 340 C PTH 1 97.93 71.05 46.75 0.00 0.00
341
+ ATOM 341 C PTH 1 97.93 71.05 47.75 0.00 0.00
342
+ ATOM 342 C PTH 1 97.93 71.05 48.75 0.00 0.00
343
+ ATOM 343 C PTH 1 97.93 71.05 49.75 0.00 0.00
344
+ ATOM 344 C PTH 1 97.93 71.05 50.75 0.00 0.00
345
+ ATOM 345 C PTH 1 97.93 72.05 43.75 0.00 0.00
346
+ ATOM 346 C PTH 1 97.93 72.05 44.75 0.00 0.00
347
+ ATOM 347 C PTH 1 97.93 72.05 45.75 0.00 0.00
348
+ ATOM 348 C PTH 1 97.93 72.05 46.75 0.00 0.00
349
+ ATOM 349 C PTH 1 97.93 72.05 47.75 0.00 0.00
350
+ ATOM 350 C PTH 1 97.93 72.05 48.75 0.00 0.00
351
+ ATOM 351 C PTH 1 97.93 72.05 49.75 0.00 0.00
352
+ ATOM 352 C PTH 1 97.93 72.05 50.75 0.00 0.00
353
+ ATOM 353 C PTH 1 97.93 72.05 51.75 0.00 0.00
354
+ ATOM 354 C PTH 1 97.93 72.05 52.75 0.00 0.00
355
+ ATOM 355 C PTH 1 97.93 73.05 46.75 0.00 0.00
356
+ ATOM 356 C PTH 1 97.93 73.05 47.75 0.00 0.00
357
+ ATOM 357 C PTH 1 97.93 73.05 48.75 0.00 0.00
358
+ ATOM 358 C PTH 1 97.93 73.05 49.75 0.00 0.00
359
+ ATOM 359 C PTH 1 97.93 73.05 50.75 0.00 0.00
360
+ ATOM 360 C PTH 1 97.93 73.05 51.75 0.00 0.00
361
+ ATOM 361 C PTH 1 97.93 73.05 52.75 0.00 0.00
362
+ ATOM 362 C PTH 1 97.93 73.05 53.75 0.00 0.00
363
+ ATOM 363 C PTH 1 97.93 74.05 49.75 0.00 0.00
364
+ ATOM 364 C PTH 1 97.93 74.05 50.75 0.00 0.00
365
+ ATOM 365 C PTH 1 97.93 74.05 51.75 0.00 0.00
366
+ ATOM 366 C PTH 1 97.93 74.05 52.75 0.00 0.00
367
+ ATOM 367 C PTH 1 97.93 74.05 53.75 0.00 0.00
368
+ ATOM 368 C PTH 1 97.93 74.05 54.75 0.00 0.00
369
+ ATOM 369 C PTH 1 97.93 75.05 50.75 0.00 0.00
370
+ ATOM 370 C PTH 1 97.93 75.05 51.75 0.00 0.00
371
+ ATOM 371 C PTH 1 97.93 75.05 52.75 0.00 0.00
372
+ ATOM 372 C PTH 1 97.93 75.05 53.75 0.00 0.00
373
+ ATOM 373 C PTH 1 97.93 75.05 54.75 0.00 0.00
374
+ ATOM 374 C PTH 1 97.93 76.05 50.75 0.00 0.00
375
+ ATOM 375 C PTH 1 97.93 76.05 51.75 0.00 0.00
376
+ ATOM 376 C PTH 1 97.93 76.05 52.75 0.00 0.00
377
+ ATOM 377 C PTH 1 97.93 76.05 53.75 0.00 0.00
378
+ ATOM 378 C PTH 1 97.93 76.05 54.75 0.00 0.00
379
+ ATOM 379 C PTH 1 97.93 77.05 50.75 0.00 0.00
380
+ ATOM 380 C PTH 1 97.93 77.05 51.75 0.00 0.00
381
+ ATOM 381 C PTH 1 97.93 77.05 52.75 0.00 0.00
382
+ ATOM 382 C PTH 1 97.93 77.05 53.75 0.00 0.00
383
+ ATOM 383 C PTH 1 97.93 77.05 54.75 0.00 0.00
384
+ ATOM 384 C PTH 1 98.93 68.05 43.75 0.00 0.00
385
+ ATOM 385 C PTH 1 98.93 68.05 44.75 0.00 0.00
386
+ ATOM 386 C PTH 1 98.93 68.05 45.75 0.00 0.00
387
+ ATOM 387 C PTH 1 98.93 69.05 43.75 0.00 0.00
388
+ ATOM 388 C PTH 1 98.93 69.05 44.75 0.00 0.00
389
+ ATOM 389 C PTH 1 98.93 69.05 45.75 0.00 0.00
390
+ ATOM 390 C PTH 1 98.93 69.05 46.75 0.00 0.00
391
+ ATOM 391 C PTH 1 98.93 70.05 43.75 0.00 0.00
392
+ ATOM 392 C PTH 1 98.93 70.05 44.75 0.00 0.00
393
+ ATOM 393 C PTH 1 98.93 70.05 45.75 0.00 0.00
394
+ ATOM 394 C PTH 1 98.93 70.05 46.75 0.00 0.00
395
+ ATOM 395 C PTH 1 98.93 71.05 43.75 0.00 0.00
396
+ ATOM 396 C PTH 1 98.93 71.05 44.75 0.00 0.00
397
+ ATOM 397 C PTH 1 98.93 71.05 45.75 0.00 0.00
398
+ ATOM 398 C PTH 1 98.93 71.05 46.75 0.00 0.00
399
+ ATOM 399 C PTH 1 98.93 71.05 49.75 0.00 0.00
400
+ ATOM 400 C PTH 1 98.93 71.05 50.75 0.00 0.00
401
+ ATOM 401 C PTH 1 98.93 71.05 51.75 0.00 0.00
402
+ ATOM 402 C PTH 1 98.93 71.05 52.75 0.00 0.00
403
+ ATOM 403 C PTH 1 98.93 72.05 43.75 0.00 0.00
404
+ ATOM 404 C PTH 1 98.93 72.05 44.75 0.00 0.00
405
+ ATOM 405 C PTH 1 98.93 72.05 45.75 0.00 0.00
406
+ ATOM 406 C PTH 1 98.93 72.05 46.75 0.00 0.00
407
+ ATOM 407 C PTH 1 98.93 72.05 47.75 0.00 0.00
408
+ ATOM 408 C PTH 1 98.93 72.05 48.75 0.00 0.00
409
+ ATOM 409 C PTH 1 98.93 72.05 49.75 0.00 0.00
410
+ ATOM 410 C PTH 1 98.93 72.05 50.75 0.00 0.00
411
+ ATOM 411 C PTH 1 98.93 72.05 51.75 0.00 0.00
412
+ ATOM 412 C PTH 1 98.93 72.05 52.75 0.00 0.00
413
+ ATOM 413 C PTH 1 98.93 73.05 47.75 0.00 0.00
414
+ ATOM 414 C PTH 1 98.93 73.05 48.75 0.00 0.00
415
+ ATOM 415 C PTH 1 98.93 73.05 49.75 0.00 0.00
416
+ ATOM 416 C PTH 1 98.93 73.05 50.75 0.00 0.00
417
+ ATOM 417 C PTH 1 98.93 73.05 51.75 0.00 0.00
418
+ ATOM 418 C PTH 1 98.93 73.05 52.75 0.00 0.00
419
+ ATOM 419 C PTH 1 98.93 73.05 53.75 0.00 0.00
420
+ ATOM 420 C PTH 1 98.93 74.05 49.75 0.00 0.00
421
+ ATOM 421 C PTH 1 98.93 74.05 50.75 0.00 0.00
422
+ ATOM 422 C PTH 1 98.93 74.05 51.75 0.00 0.00
423
+ ATOM 423 C PTH 1 98.93 74.05 52.75 0.00 0.00
424
+ ATOM 424 C PTH 1 98.93 74.05 53.75 0.00 0.00
425
+ ATOM 425 C PTH 1 98.93 75.05 51.75 0.00 0.00
426
+ ATOM 426 C PTH 1 99.93 71.05 43.75 0.00 0.00
427
+ ATOM 427 C PTH 1 99.93 71.05 44.75 0.00 0.00
428
+ ATOM 428 C PTH 1 99.93 72.05 45.75 0.00 0.00
429
+ ATOM 429 C PTH 1 99.93 72.05 49.75 0.00 0.00
430
+ ATOM 430 C PTH 1 99.93 72.05 50.75 0.00 0.00
431
+ ATOM 431 C PTH 1 99.93 72.05 51.75 0.00 0.00
432
+ ATOM 432 C PTH 1 99.93 73.05 49.75 0.00 0.00
data/files/A000T/pocket_04.pdb ADDED
@@ -0,0 +1,228 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 91.93 108.05 41.75 0.00 0.00
2
+ ATOM 2 C PTH 1 91.93 108.05 42.75 0.00 0.00
3
+ ATOM 3 C PTH 1 91.93 109.05 41.75 0.00 0.00
4
+ ATOM 4 C PTH 1 91.93 109.05 42.75 0.00 0.00
5
+ ATOM 5 C PTH 1 91.93 109.05 43.75 0.00 0.00
6
+ ATOM 6 C PTH 1 91.93 109.05 44.75 0.00 0.00
7
+ ATOM 7 C PTH 1 91.93 109.05 45.75 0.00 0.00
8
+ ATOM 8 C PTH 1 91.93 110.05 42.75 0.00 0.00
9
+ ATOM 9 C PTH 1 91.93 110.05 43.75 0.00 0.00
10
+ ATOM 10 C PTH 1 91.93 110.05 44.75 0.00 0.00
11
+ ATOM 11 C PTH 1 91.93 110.05 45.75 0.00 0.00
12
+ ATOM 12 C PTH 1 91.93 111.05 42.75 0.00 0.00
13
+ ATOM 13 C PTH 1 91.93 111.05 43.75 0.00 0.00
14
+ ATOM 14 C PTH 1 91.93 111.05 44.75 0.00 0.00
15
+ ATOM 15 C PTH 1 91.93 111.05 45.75 0.00 0.00
16
+ ATOM 16 C PTH 1 91.93 112.05 43.75 0.00 0.00
17
+ ATOM 17 C PTH 1 92.93 108.05 41.75 0.00 0.00
18
+ ATOM 18 C PTH 1 92.93 108.05 42.75 0.00 0.00
19
+ ATOM 19 C PTH 1 92.93 109.05 41.75 0.00 0.00
20
+ ATOM 20 C PTH 1 92.93 109.05 42.75 0.00 0.00
21
+ ATOM 21 C PTH 1 92.93 109.05 43.75 0.00 0.00
22
+ ATOM 22 C PTH 1 92.93 109.05 44.75 0.00 0.00
23
+ ATOM 23 C PTH 1 92.93 109.05 45.75 0.00 0.00
24
+ ATOM 24 C PTH 1 92.93 110.05 42.75 0.00 0.00
25
+ ATOM 25 C PTH 1 92.93 110.05 43.75 0.00 0.00
26
+ ATOM 26 C PTH 1 92.93 110.05 44.75 0.00 0.00
27
+ ATOM 27 C PTH 1 92.93 110.05 45.75 0.00 0.00
28
+ ATOM 28 C PTH 1 92.93 110.05 46.75 0.00 0.00
29
+ ATOM 29 C PTH 1 92.93 110.05 48.75 0.00 0.00
30
+ ATOM 30 C PTH 1 92.93 111.05 42.75 0.00 0.00
31
+ ATOM 31 C PTH 1 92.93 111.05 43.75 0.00 0.00
32
+ ATOM 32 C PTH 1 92.93 111.05 44.75 0.00 0.00
33
+ ATOM 33 C PTH 1 92.93 111.05 45.75 0.00 0.00
34
+ ATOM 34 C PTH 1 92.93 111.05 46.75 0.00 0.00
35
+ ATOM 35 C PTH 1 92.93 111.05 47.75 0.00 0.00
36
+ ATOM 36 C PTH 1 92.93 111.05 48.75 0.00 0.00
37
+ ATOM 37 C PTH 1 92.93 112.05 42.75 0.00 0.00
38
+ ATOM 38 C PTH 1 92.93 112.05 43.75 0.00 0.00
39
+ ATOM 39 C PTH 1 92.93 112.05 44.75 0.00 0.00
40
+ ATOM 40 C PTH 1 92.93 112.05 45.75 0.00 0.00
41
+ ATOM 41 C PTH 1 92.93 112.05 46.75 0.00 0.00
42
+ ATOM 42 C PTH 1 92.93 112.05 47.75 0.00 0.00
43
+ ATOM 43 C PTH 1 92.93 112.05 48.75 0.00 0.00
44
+ ATOM 44 C PTH 1 92.93 113.05 43.75 0.00 0.00
45
+ ATOM 45 C PTH 1 92.93 113.05 44.75 0.00 0.00
46
+ ATOM 46 C PTH 1 92.93 113.05 45.75 0.00 0.00
47
+ ATOM 47 C PTH 1 92.93 113.05 46.75 0.00 0.00
48
+ ATOM 48 C PTH 1 93.93 108.05 41.75 0.00 0.00
49
+ ATOM 49 C PTH 1 93.93 108.05 42.75 0.00 0.00
50
+ ATOM 50 C PTH 1 93.93 109.05 41.75 0.00 0.00
51
+ ATOM 51 C PTH 1 93.93 109.05 42.75 0.00 0.00
52
+ ATOM 52 C PTH 1 93.93 109.05 43.75 0.00 0.00
53
+ ATOM 53 C PTH 1 93.93 109.05 44.75 0.00 0.00
54
+ ATOM 54 C PTH 1 93.93 110.05 42.75 0.00 0.00
55
+ ATOM 55 C PTH 1 93.93 110.05 43.75 0.00 0.00
56
+ ATOM 56 C PTH 1 93.93 110.05 44.75 0.00 0.00
57
+ ATOM 57 C PTH 1 93.93 110.05 45.75 0.00 0.00
58
+ ATOM 58 C PTH 1 93.93 110.05 46.75 0.00 0.00
59
+ ATOM 59 C PTH 1 93.93 110.05 48.75 0.00 0.00
60
+ ATOM 60 C PTH 1 93.93 111.05 42.75 0.00 0.00
61
+ ATOM 61 C PTH 1 93.93 111.05 43.75 0.00 0.00
62
+ ATOM 62 C PTH 1 93.93 111.05 44.75 0.00 0.00
63
+ ATOM 63 C PTH 1 93.93 111.05 45.75 0.00 0.00
64
+ ATOM 64 C PTH 1 93.93 111.05 46.75 0.00 0.00
65
+ ATOM 65 C PTH 1 93.93 111.05 47.75 0.00 0.00
66
+ ATOM 66 C PTH 1 93.93 111.05 48.75 0.00 0.00
67
+ ATOM 67 C PTH 1 93.93 112.05 42.75 0.00 0.00
68
+ ATOM 68 C PTH 1 93.93 112.05 43.75 0.00 0.00
69
+ ATOM 69 C PTH 1 93.93 112.05 44.75 0.00 0.00
70
+ ATOM 70 C PTH 1 93.93 112.05 45.75 0.00 0.00
71
+ ATOM 71 C PTH 1 93.93 112.05 46.75 0.00 0.00
72
+ ATOM 72 C PTH 1 93.93 112.05 47.75 0.00 0.00
73
+ ATOM 73 C PTH 1 93.93 112.05 48.75 0.00 0.00
74
+ ATOM 74 C PTH 1 93.93 113.05 43.75 0.00 0.00
75
+ ATOM 75 C PTH 1 93.93 113.05 44.75 0.00 0.00
76
+ ATOM 76 C PTH 1 93.93 113.05 45.75 0.00 0.00
77
+ ATOM 77 C PTH 1 93.93 113.05 46.75 0.00 0.00
78
+ ATOM 78 C PTH 1 93.93 113.05 47.75 0.00 0.00
79
+ ATOM 79 C PTH 1 93.93 114.05 45.75 0.00 0.00
80
+ ATOM 80 C PTH 1 93.93 114.05 46.75 0.00 0.00
81
+ ATOM 81 C PTH 1 94.93 108.05 41.75 0.00 0.00
82
+ ATOM 82 C PTH 1 94.93 108.05 42.75 0.00 0.00
83
+ ATOM 83 C PTH 1 94.93 109.05 41.75 0.00 0.00
84
+ ATOM 84 C PTH 1 94.93 109.05 42.75 0.00 0.00
85
+ ATOM 85 C PTH 1 94.93 109.05 43.75 0.00 0.00
86
+ ATOM 86 C PTH 1 94.93 109.05 44.75 0.00 0.00
87
+ ATOM 87 C PTH 1 94.93 110.05 42.75 0.00 0.00
88
+ ATOM 88 C PTH 1 94.93 110.05 43.75 0.00 0.00
89
+ ATOM 89 C PTH 1 94.93 110.05 44.75 0.00 0.00
90
+ ATOM 90 C PTH 1 94.93 110.05 45.75 0.00 0.00
91
+ ATOM 91 C PTH 1 94.93 110.05 46.75 0.00 0.00
92
+ ATOM 92 C PTH 1 94.93 111.05 42.75 0.00 0.00
93
+ ATOM 93 C PTH 1 94.93 111.05 43.75 0.00 0.00
94
+ ATOM 94 C PTH 1 94.93 111.05 44.75 0.00 0.00
95
+ ATOM 95 C PTH 1 94.93 111.05 45.75 0.00 0.00
96
+ ATOM 96 C PTH 1 94.93 111.05 46.75 0.00 0.00
97
+ ATOM 97 C PTH 1 94.93 111.05 47.75 0.00 0.00
98
+ ATOM 98 C PTH 1 94.93 111.05 48.75 0.00 0.00
99
+ ATOM 99 C PTH 1 94.93 112.05 42.75 0.00 0.00
100
+ ATOM 100 C PTH 1 94.93 112.05 43.75 0.00 0.00
101
+ ATOM 101 C PTH 1 94.93 112.05 44.75 0.00 0.00
102
+ ATOM 102 C PTH 1 94.93 112.05 45.75 0.00 0.00
103
+ ATOM 103 C PTH 1 94.93 112.05 46.75 0.00 0.00
104
+ ATOM 104 C PTH 1 94.93 112.05 47.75 0.00 0.00
105
+ ATOM 105 C PTH 1 94.93 112.05 48.75 0.00 0.00
106
+ ATOM 106 C PTH 1 94.93 113.05 42.75 0.00 0.00
107
+ ATOM 107 C PTH 1 94.93 113.05 43.75 0.00 0.00
108
+ ATOM 108 C PTH 1 94.93 113.05 44.75 0.00 0.00
109
+ ATOM 109 C PTH 1 94.93 113.05 45.75 0.00 0.00
110
+ ATOM 110 C PTH 1 94.93 113.05 46.75 0.00 0.00
111
+ ATOM 111 C PTH 1 94.93 113.05 47.75 0.00 0.00
112
+ ATOM 112 C PTH 1 94.93 113.05 48.75 0.00 0.00
113
+ ATOM 113 C PTH 1 94.93 114.05 44.75 0.00 0.00
114
+ ATOM 114 C PTH 1 94.93 114.05 45.75 0.00 0.00
115
+ ATOM 115 C PTH 1 94.93 114.05 46.75 0.00 0.00
116
+ ATOM 116 C PTH 1 94.93 114.05 47.75 0.00 0.00
117
+ ATOM 117 C PTH 1 95.93 108.05 41.75 0.00 0.00
118
+ ATOM 118 C PTH 1 95.93 108.05 42.75 0.00 0.00
119
+ ATOM 119 C PTH 1 95.93 108.05 43.75 0.00 0.00
120
+ ATOM 120 C PTH 1 95.93 109.05 41.75 0.00 0.00
121
+ ATOM 121 C PTH 1 95.93 109.05 42.75 0.00 0.00
122
+ ATOM 122 C PTH 1 95.93 109.05 43.75 0.00 0.00
123
+ ATOM 123 C PTH 1 95.93 109.05 44.75 0.00 0.00
124
+ ATOM 124 C PTH 1 95.93 110.05 42.75 0.00 0.00
125
+ ATOM 125 C PTH 1 95.93 110.05 43.75 0.00 0.00
126
+ ATOM 126 C PTH 1 95.93 110.05 44.75 0.00 0.00
127
+ ATOM 127 C PTH 1 95.93 110.05 45.75 0.00 0.00
128
+ ATOM 128 C PTH 1 95.93 110.05 46.75 0.00 0.00
129
+ ATOM 129 C PTH 1 95.93 111.05 42.75 0.00 0.00
130
+ ATOM 130 C PTH 1 95.93 111.05 43.75 0.00 0.00
131
+ ATOM 131 C PTH 1 95.93 111.05 44.75 0.00 0.00
132
+ ATOM 132 C PTH 1 95.93 111.05 45.75 0.00 0.00
133
+ ATOM 133 C PTH 1 95.93 111.05 46.75 0.00 0.00
134
+ ATOM 134 C PTH 1 95.93 111.05 47.75 0.00 0.00
135
+ ATOM 135 C PTH 1 95.93 111.05 48.75 0.00 0.00
136
+ ATOM 136 C PTH 1 95.93 112.05 42.75 0.00 0.00
137
+ ATOM 137 C PTH 1 95.93 112.05 43.75 0.00 0.00
138
+ ATOM 138 C PTH 1 95.93 112.05 44.75 0.00 0.00
139
+ ATOM 139 C PTH 1 95.93 112.05 45.75 0.00 0.00
140
+ ATOM 140 C PTH 1 95.93 112.05 46.75 0.00 0.00
141
+ ATOM 141 C PTH 1 95.93 112.05 47.75 0.00 0.00
142
+ ATOM 142 C PTH 1 95.93 112.05 48.75 0.00 0.00
143
+ ATOM 143 C PTH 1 95.93 113.05 42.75 0.00 0.00
144
+ ATOM 144 C PTH 1 95.93 113.05 43.75 0.00 0.00
145
+ ATOM 145 C PTH 1 95.93 113.05 44.75 0.00 0.00
146
+ ATOM 146 C PTH 1 95.93 113.05 45.75 0.00 0.00
147
+ ATOM 147 C PTH 1 95.93 113.05 46.75 0.00 0.00
148
+ ATOM 148 C PTH 1 95.93 113.05 47.75 0.00 0.00
149
+ ATOM 149 C PTH 1 95.93 114.05 44.75 0.00 0.00
150
+ ATOM 150 C PTH 1 95.93 114.05 45.75 0.00 0.00
151
+ ATOM 151 C PTH 1 95.93 114.05 46.75 0.00 0.00
152
+ ATOM 152 C PTH 1 95.93 114.05 47.75 0.00 0.00
153
+ ATOM 153 C PTH 1 96.93 108.05 41.75 0.00 0.00
154
+ ATOM 154 C PTH 1 96.93 108.05 42.75 0.00 0.00
155
+ ATOM 155 C PTH 1 96.93 108.05 43.75 0.00 0.00
156
+ ATOM 156 C PTH 1 96.93 108.05 44.75 0.00 0.00
157
+ ATOM 157 C PTH 1 96.93 109.05 42.75 0.00 0.00
158
+ ATOM 158 C PTH 1 96.93 109.05 43.75 0.00 0.00
159
+ ATOM 159 C PTH 1 96.93 109.05 44.75 0.00 0.00
160
+ ATOM 160 C PTH 1 96.93 110.05 42.75 0.00 0.00
161
+ ATOM 161 C PTH 1 96.93 110.05 43.75 0.00 0.00
162
+ ATOM 162 C PTH 1 96.93 110.05 44.75 0.00 0.00
163
+ ATOM 163 C PTH 1 96.93 110.05 45.75 0.00 0.00
164
+ ATOM 164 C PTH 1 96.93 110.05 46.75 0.00 0.00
165
+ ATOM 165 C PTH 1 96.93 111.05 42.75 0.00 0.00
166
+ ATOM 166 C PTH 1 96.93 111.05 43.75 0.00 0.00
167
+ ATOM 167 C PTH 1 96.93 111.05 44.75 0.00 0.00
168
+ ATOM 168 C PTH 1 96.93 111.05 45.75 0.00 0.00
169
+ ATOM 169 C PTH 1 96.93 111.05 46.75 0.00 0.00
170
+ ATOM 170 C PTH 1 96.93 111.05 47.75 0.00 0.00
171
+ ATOM 171 C PTH 1 96.93 111.05 48.75 0.00 0.00
172
+ ATOM 172 C PTH 1 96.93 112.05 43.75 0.00 0.00
173
+ ATOM 173 C PTH 1 96.93 112.05 44.75 0.00 0.00
174
+ ATOM 174 C PTH 1 96.93 112.05 45.75 0.00 0.00
175
+ ATOM 175 C PTH 1 96.93 112.05 46.75 0.00 0.00
176
+ ATOM 176 C PTH 1 96.93 112.05 47.75 0.00 0.00
177
+ ATOM 177 C PTH 1 96.93 112.05 48.75 0.00 0.00
178
+ ATOM 178 C PTH 1 96.93 113.05 43.75 0.00 0.00
179
+ ATOM 179 C PTH 1 96.93 113.05 44.75 0.00 0.00
180
+ ATOM 180 C PTH 1 96.93 113.05 45.75 0.00 0.00
181
+ ATOM 181 C PTH 1 96.93 113.05 46.75 0.00 0.00
182
+ ATOM 182 C PTH 1 96.93 113.05 47.75 0.00 0.00
183
+ ATOM 183 C PTH 1 96.93 113.05 48.75 0.00 0.00
184
+ ATOM 184 C PTH 1 96.93 114.05 45.75 0.00 0.00
185
+ ATOM 185 C PTH 1 96.93 114.05 46.75 0.00 0.00
186
+ ATOM 186 C PTH 1 96.93 114.05 47.75 0.00 0.00
187
+ ATOM 187 C PTH 1 97.93 108.05 41.75 0.00 0.00
188
+ ATOM 188 C PTH 1 97.93 108.05 42.75 0.00 0.00
189
+ ATOM 189 C PTH 1 97.93 108.05 43.75 0.00 0.00
190
+ ATOM 190 C PTH 1 97.93 108.05 44.75 0.00 0.00
191
+ ATOM 191 C PTH 1 97.93 109.05 42.75 0.00 0.00
192
+ ATOM 192 C PTH 1 97.93 109.05 43.75 0.00 0.00
193
+ ATOM 193 C PTH 1 97.93 109.05 44.75 0.00 0.00
194
+ ATOM 194 C PTH 1 97.93 109.05 45.75 0.00 0.00
195
+ ATOM 195 C PTH 1 97.93 110.05 43.75 0.00 0.00
196
+ ATOM 196 C PTH 1 97.93 110.05 44.75 0.00 0.00
197
+ ATOM 197 C PTH 1 97.93 110.05 45.75 0.00 0.00
198
+ ATOM 198 C PTH 1 97.93 110.05 46.75 0.00 0.00
199
+ ATOM 199 C PTH 1 97.93 111.05 43.75 0.00 0.00
200
+ ATOM 200 C PTH 1 97.93 111.05 44.75 0.00 0.00
201
+ ATOM 201 C PTH 1 97.93 111.05 45.75 0.00 0.00
202
+ ATOM 202 C PTH 1 97.93 111.05 46.75 0.00 0.00
203
+ ATOM 203 C PTH 1 97.93 111.05 47.75 0.00 0.00
204
+ ATOM 204 C PTH 1 97.93 111.05 48.75 0.00 0.00
205
+ ATOM 205 C PTH 1 97.93 112.05 44.75 0.00 0.00
206
+ ATOM 206 C PTH 1 97.93 112.05 45.75 0.00 0.00
207
+ ATOM 207 C PTH 1 97.93 112.05 46.75 0.00 0.00
208
+ ATOM 208 C PTH 1 97.93 112.05 47.75 0.00 0.00
209
+ ATOM 209 C PTH 1 97.93 112.05 48.75 0.00 0.00
210
+ ATOM 210 C PTH 1 97.93 113.05 45.75 0.00 0.00
211
+ ATOM 211 C PTH 1 97.93 113.05 46.75 0.00 0.00
212
+ ATOM 212 C PTH 1 97.93 113.05 47.75 0.00 0.00
213
+ ATOM 213 C PTH 1 97.93 113.05 48.75 0.00 0.00
214
+ ATOM 214 C PTH 1 97.93 114.05 46.75 0.00 0.00
215
+ ATOM 215 C PTH 1 97.93 114.05 47.75 0.00 0.00
216
+ ATOM 216 C PTH 1 98.93 109.05 43.75 0.00 0.00
217
+ ATOM 217 C PTH 1 98.93 109.05 44.75 0.00 0.00
218
+ ATOM 218 C PTH 1 98.93 109.05 45.75 0.00 0.00
219
+ ATOM 219 C PTH 1 98.93 110.05 43.75 0.00 0.00
220
+ ATOM 220 C PTH 1 98.93 110.05 44.75 0.00 0.00
221
+ ATOM 221 C PTH 1 98.93 110.05 45.75 0.00 0.00
222
+ ATOM 222 C PTH 1 98.93 110.05 46.75 0.00 0.00
223
+ ATOM 223 C PTH 1 98.93 111.05 45.75 0.00 0.00
224
+ ATOM 224 C PTH 1 98.93 111.05 46.75 0.00 0.00
225
+ ATOM 225 C PTH 1 98.93 111.05 47.75 0.00 0.00
226
+ ATOM 226 C PTH 1 98.93 112.05 45.75 0.00 0.00
227
+ ATOM 227 C PTH 1 98.93 112.05 46.75 0.00 0.00
228
+ ATOM 228 C PTH 1 98.93 112.05 47.75 0.00 0.00
data/files/A000T/pocket_05.pdb ADDED
@@ -0,0 +1,206 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 91.93 115.05 60.75 0.00 0.00
2
+ ATOM 2 C PTH 1 91.93 115.05 61.75 0.00 0.00
3
+ ATOM 3 C PTH 1 91.93 115.05 62.75 0.00 0.00
4
+ ATOM 4 C PTH 1 91.93 115.05 63.75 0.00 0.00
5
+ ATOM 5 C PTH 1 91.93 116.05 60.75 0.00 0.00
6
+ ATOM 6 C PTH 1 91.93 116.05 61.75 0.00 0.00
7
+ ATOM 7 C PTH 1 91.93 116.05 62.75 0.00 0.00
8
+ ATOM 8 C PTH 1 91.93 116.05 63.75 0.00 0.00
9
+ ATOM 9 C PTH 1 91.93 116.05 64.75 0.00 0.00
10
+ ATOM 10 C PTH 1 91.93 117.05 60.75 0.00 0.00
11
+ ATOM 11 C PTH 1 91.93 117.05 61.75 0.00 0.00
12
+ ATOM 12 C PTH 1 91.93 117.05 62.75 0.00 0.00
13
+ ATOM 13 C PTH 1 91.93 117.05 63.75 0.00 0.00
14
+ ATOM 14 C PTH 1 91.93 117.05 64.75 0.00 0.00
15
+ ATOM 15 C PTH 1 91.93 118.05 61.75 0.00 0.00
16
+ ATOM 16 C PTH 1 91.93 118.05 62.75 0.00 0.00
17
+ ATOM 17 C PTH 1 91.93 118.05 63.75 0.00 0.00
18
+ ATOM 18 C PTH 1 91.93 119.05 60.75 0.00 0.00
19
+ ATOM 19 C PTH 1 91.93 119.05 61.75 0.00 0.00
20
+ ATOM 20 C PTH 1 91.93 119.05 62.75 0.00 0.00
21
+ ATOM 21 C PTH 1 92.93 112.05 58.75 0.00 0.00
22
+ ATOM 22 C PTH 1 92.93 114.05 60.75 0.00 0.00
23
+ ATOM 23 C PTH 1 92.93 114.05 61.75 0.00 0.00
24
+ ATOM 24 C PTH 1 92.93 114.05 62.75 0.00 0.00
25
+ ATOM 25 C PTH 1 92.93 114.05 63.75 0.00 0.00
26
+ ATOM 26 C PTH 1 92.93 115.05 60.75 0.00 0.00
27
+ ATOM 27 C PTH 1 92.93 115.05 61.75 0.00 0.00
28
+ ATOM 28 C PTH 1 92.93 115.05 62.75 0.00 0.00
29
+ ATOM 29 C PTH 1 92.93 115.05 63.75 0.00 0.00
30
+ ATOM 30 C PTH 1 92.93 115.05 64.75 0.00 0.00
31
+ ATOM 31 C PTH 1 92.93 116.05 60.75 0.00 0.00
32
+ ATOM 32 C PTH 1 92.93 116.05 61.75 0.00 0.00
33
+ ATOM 33 C PTH 1 92.93 116.05 62.75 0.00 0.00
34
+ ATOM 34 C PTH 1 92.93 116.05 63.75 0.00 0.00
35
+ ATOM 35 C PTH 1 92.93 116.05 64.75 0.00 0.00
36
+ ATOM 36 C PTH 1 92.93 117.05 60.75 0.00 0.00
37
+ ATOM 37 C PTH 1 92.93 117.05 61.75 0.00 0.00
38
+ ATOM 38 C PTH 1 92.93 117.05 62.75 0.00 0.00
39
+ ATOM 39 C PTH 1 92.93 117.05 63.75 0.00 0.00
40
+ ATOM 40 C PTH 1 92.93 117.05 64.75 0.00 0.00
41
+ ATOM 41 C PTH 1 92.93 118.05 60.75 0.00 0.00
42
+ ATOM 42 C PTH 1 92.93 118.05 61.75 0.00 0.00
43
+ ATOM 43 C PTH 1 92.93 118.05 62.75 0.00 0.00
44
+ ATOM 44 C PTH 1 92.93 118.05 63.75 0.00 0.00
45
+ ATOM 45 C PTH 1 92.93 118.05 64.75 0.00 0.00
46
+ ATOM 46 C PTH 1 92.93 119.05 60.75 0.00 0.00
47
+ ATOM 47 C PTH 1 92.93 119.05 61.75 0.00 0.00
48
+ ATOM 48 C PTH 1 92.93 119.05 62.75 0.00 0.00
49
+ ATOM 49 C PTH 1 92.93 119.05 63.75 0.00 0.00
50
+ ATOM 50 C PTH 1 92.93 119.05 64.75 0.00 0.00
51
+ ATOM 51 C PTH 1 93.93 110.05 57.75 0.00 0.00
52
+ ATOM 52 C PTH 1 93.93 110.05 58.75 0.00 0.00
53
+ ATOM 53 C PTH 1 93.93 111.05 57.75 0.00 0.00
54
+ ATOM 54 C PTH 1 93.93 111.05 58.75 0.00 0.00
55
+ ATOM 55 C PTH 1 93.93 112.05 57.75 0.00 0.00
56
+ ATOM 56 C PTH 1 93.93 112.05 58.75 0.00 0.00
57
+ ATOM 57 C PTH 1 93.93 112.05 59.75 0.00 0.00
58
+ ATOM 58 C PTH 1 93.93 113.05 57.75 0.00 0.00
59
+ ATOM 59 C PTH 1 93.93 113.05 58.75 0.00 0.00
60
+ ATOM 60 C PTH 1 93.93 113.05 59.75 0.00 0.00
61
+ ATOM 61 C PTH 1 93.93 113.05 60.75 0.00 0.00
62
+ ATOM 62 C PTH 1 93.93 113.05 61.75 0.00 0.00
63
+ ATOM 63 C PTH 1 93.93 113.05 62.75 0.00 0.00
64
+ ATOM 64 C PTH 1 93.93 114.05 58.75 0.00 0.00
65
+ ATOM 65 C PTH 1 93.93 114.05 59.75 0.00 0.00
66
+ ATOM 66 C PTH 1 93.93 114.05 60.75 0.00 0.00
67
+ ATOM 67 C PTH 1 93.93 114.05 61.75 0.00 0.00
68
+ ATOM 68 C PTH 1 93.93 114.05 62.75 0.00 0.00
69
+ ATOM 69 C PTH 1 93.93 114.05 63.75 0.00 0.00
70
+ ATOM 70 C PTH 1 93.93 115.05 59.75 0.00 0.00
71
+ ATOM 71 C PTH 1 93.93 115.05 60.75 0.00 0.00
72
+ ATOM 72 C PTH 1 93.93 115.05 61.75 0.00 0.00
73
+ ATOM 73 C PTH 1 93.93 115.05 62.75 0.00 0.00
74
+ ATOM 74 C PTH 1 93.93 115.05 63.75 0.00 0.00
75
+ ATOM 75 C PTH 1 93.93 115.05 64.75 0.00 0.00
76
+ ATOM 76 C PTH 1 93.93 116.05 59.75 0.00 0.00
77
+ ATOM 77 C PTH 1 93.93 116.05 60.75 0.00 0.00
78
+ ATOM 78 C PTH 1 93.93 116.05 61.75 0.00 0.00
79
+ ATOM 79 C PTH 1 93.93 116.05 62.75 0.00 0.00
80
+ ATOM 80 C PTH 1 93.93 116.05 63.75 0.00 0.00
81
+ ATOM 81 C PTH 1 93.93 116.05 64.75 0.00 0.00
82
+ ATOM 82 C PTH 1 93.93 117.05 60.75 0.00 0.00
83
+ ATOM 83 C PTH 1 93.93 117.05 61.75 0.00 0.00
84
+ ATOM 84 C PTH 1 93.93 117.05 62.75 0.00 0.00
85
+ ATOM 85 C PTH 1 93.93 117.05 63.75 0.00 0.00
86
+ ATOM 86 C PTH 1 93.93 117.05 64.75 0.00 0.00
87
+ ATOM 87 C PTH 1 93.93 118.05 60.75 0.00 0.00
88
+ ATOM 88 C PTH 1 93.93 118.05 61.75 0.00 0.00
89
+ ATOM 89 C PTH 1 93.93 118.05 62.75 0.00 0.00
90
+ ATOM 90 C PTH 1 93.93 118.05 63.75 0.00 0.00
91
+ ATOM 91 C PTH 1 93.93 118.05 64.75 0.00 0.00
92
+ ATOM 92 C PTH 1 93.93 119.05 60.75 0.00 0.00
93
+ ATOM 93 C PTH 1 93.93 119.05 61.75 0.00 0.00
94
+ ATOM 94 C PTH 1 93.93 119.05 62.75 0.00 0.00
95
+ ATOM 95 C PTH 1 93.93 119.05 63.75 0.00 0.00
96
+ ATOM 96 C PTH 1 93.93 119.05 64.75 0.00 0.00
97
+ ATOM 97 C PTH 1 94.93 110.05 57.75 0.00 0.00
98
+ ATOM 98 C PTH 1 94.93 110.05 58.75 0.00 0.00
99
+ ATOM 99 C PTH 1 94.93 111.05 57.75 0.00 0.00
100
+ ATOM 100 C PTH 1 94.93 111.05 58.75 0.00 0.00
101
+ ATOM 101 C PTH 1 94.93 111.05 59.75 0.00 0.00
102
+ ATOM 102 C PTH 1 94.93 111.05 60.75 0.00 0.00
103
+ ATOM 103 C PTH 1 94.93 112.05 57.75 0.00 0.00
104
+ ATOM 104 C PTH 1 94.93 112.05 58.75 0.00 0.00
105
+ ATOM 105 C PTH 1 94.93 112.05 59.75 0.00 0.00
106
+ ATOM 106 C PTH 1 94.93 112.05 60.75 0.00 0.00
107
+ ATOM 107 C PTH 1 94.93 112.05 61.75 0.00 0.00
108
+ ATOM 108 C PTH 1 94.93 113.05 57.75 0.00 0.00
109
+ ATOM 109 C PTH 1 94.93 113.05 58.75 0.00 0.00
110
+ ATOM 110 C PTH 1 94.93 113.05 59.75 0.00 0.00
111
+ ATOM 111 C PTH 1 94.93 113.05 60.75 0.00 0.00
112
+ ATOM 112 C PTH 1 94.93 113.05 61.75 0.00 0.00
113
+ ATOM 113 C PTH 1 94.93 113.05 62.75 0.00 0.00
114
+ ATOM 114 C PTH 1 94.93 114.05 58.75 0.00 0.00
115
+ ATOM 115 C PTH 1 94.93 114.05 59.75 0.00 0.00
116
+ ATOM 116 C PTH 1 94.93 114.05 60.75 0.00 0.00
117
+ ATOM 117 C PTH 1 94.93 114.05 61.75 0.00 0.00
118
+ ATOM 118 C PTH 1 94.93 114.05 62.75 0.00 0.00
119
+ ATOM 119 C PTH 1 94.93 114.05 63.75 0.00 0.00
120
+ ATOM 120 C PTH 1 94.93 115.05 58.75 0.00 0.00
121
+ ATOM 121 C PTH 1 94.93 115.05 59.75 0.00 0.00
122
+ ATOM 122 C PTH 1 94.93 115.05 60.75 0.00 0.00
123
+ ATOM 123 C PTH 1 94.93 115.05 61.75 0.00 0.00
124
+ ATOM 124 C PTH 1 94.93 115.05 62.75 0.00 0.00
125
+ ATOM 125 C PTH 1 94.93 115.05 63.75 0.00 0.00
126
+ ATOM 126 C PTH 1 94.93 115.05 64.75 0.00 0.00
127
+ ATOM 127 C PTH 1 94.93 116.05 60.75 0.00 0.00
128
+ ATOM 128 C PTH 1 94.93 116.05 61.75 0.00 0.00
129
+ ATOM 129 C PTH 1 94.93 116.05 62.75 0.00 0.00
130
+ ATOM 130 C PTH 1 94.93 116.05 63.75 0.00 0.00
131
+ ATOM 131 C PTH 1 94.93 116.05 64.75 0.00 0.00
132
+ ATOM 132 C PTH 1 94.93 117.05 60.75 0.00 0.00
133
+ ATOM 133 C PTH 1 94.93 117.05 61.75 0.00 0.00
134
+ ATOM 134 C PTH 1 94.93 117.05 62.75 0.00 0.00
135
+ ATOM 135 C PTH 1 94.93 117.05 63.75 0.00 0.00
136
+ ATOM 136 C PTH 1 94.93 117.05 64.75 0.00 0.00
137
+ ATOM 137 C PTH 1 94.93 118.05 61.75 0.00 0.00
138
+ ATOM 138 C PTH 1 94.93 118.05 62.75 0.00 0.00
139
+ ATOM 139 C PTH 1 94.93 118.05 63.75 0.00 0.00
140
+ ATOM 140 C PTH 1 94.93 118.05 64.75 0.00 0.00
141
+ ATOM 141 C PTH 1 95.93 110.05 57.75 0.00 0.00
142
+ ATOM 142 C PTH 1 95.93 110.05 58.75 0.00 0.00
143
+ ATOM 143 C PTH 1 95.93 111.05 57.75 0.00 0.00
144
+ ATOM 144 C PTH 1 95.93 111.05 58.75 0.00 0.00
145
+ ATOM 145 C PTH 1 95.93 111.05 59.75 0.00 0.00
146
+ ATOM 146 C PTH 1 95.93 111.05 60.75 0.00 0.00
147
+ ATOM 147 C PTH 1 95.93 111.05 61.75 0.00 0.00
148
+ ATOM 148 C PTH 1 95.93 112.05 57.75 0.00 0.00
149
+ ATOM 149 C PTH 1 95.93 112.05 58.75 0.00 0.00
150
+ ATOM 150 C PTH 1 95.93 112.05 59.75 0.00 0.00
151
+ ATOM 151 C PTH 1 95.93 112.05 60.75 0.00 0.00
152
+ ATOM 152 C PTH 1 95.93 112.05 61.75 0.00 0.00
153
+ ATOM 153 C PTH 1 95.93 112.05 62.75 0.00 0.00
154
+ ATOM 154 C PTH 1 95.93 113.05 57.75 0.00 0.00
155
+ ATOM 155 C PTH 1 95.93 113.05 58.75 0.00 0.00
156
+ ATOM 156 C PTH 1 95.93 113.05 59.75 0.00 0.00
157
+ ATOM 157 C PTH 1 95.93 113.05 60.75 0.00 0.00
158
+ ATOM 158 C PTH 1 95.93 113.05 61.75 0.00 0.00
159
+ ATOM 159 C PTH 1 95.93 113.05 62.75 0.00 0.00
160
+ ATOM 160 C PTH 1 95.93 114.05 58.75 0.00 0.00
161
+ ATOM 161 C PTH 1 95.93 114.05 59.75 0.00 0.00
162
+ ATOM 162 C PTH 1 95.93 114.05 60.75 0.00 0.00
163
+ ATOM 163 C PTH 1 95.93 114.05 61.75 0.00 0.00
164
+ ATOM 164 C PTH 1 95.93 114.05 62.75 0.00 0.00
165
+ ATOM 165 C PTH 1 95.93 114.05 63.75 0.00 0.00
166
+ ATOM 166 C PTH 1 95.93 115.05 59.75 0.00 0.00
167
+ ATOM 167 C PTH 1 95.93 115.05 60.75 0.00 0.00
168
+ ATOM 168 C PTH 1 95.93 115.05 61.75 0.00 0.00
169
+ ATOM 169 C PTH 1 95.93 115.05 62.75 0.00 0.00
170
+ ATOM 170 C PTH 1 95.93 115.05 63.75 0.00 0.00
171
+ ATOM 171 C PTH 1 95.93 115.05 64.75 0.00 0.00
172
+ ATOM 172 C PTH 1 95.93 116.05 60.75 0.00 0.00
173
+ ATOM 173 C PTH 1 95.93 116.05 61.75 0.00 0.00
174
+ ATOM 174 C PTH 1 95.93 116.05 62.75 0.00 0.00
175
+ ATOM 175 C PTH 1 95.93 116.05 63.75 0.00 0.00
176
+ ATOM 176 C PTH 1 95.93 116.05 64.75 0.00 0.00
177
+ ATOM 177 C PTH 1 95.93 117.05 62.75 0.00 0.00
178
+ ATOM 178 C PTH 1 95.93 117.05 63.75 0.00 0.00
179
+ ATOM 179 C PTH 1 96.93 111.05 58.75 0.00 0.00
180
+ ATOM 180 C PTH 1 96.93 111.05 59.75 0.00 0.00
181
+ ATOM 181 C PTH 1 96.93 111.05 60.75 0.00 0.00
182
+ ATOM 182 C PTH 1 96.93 111.05 61.75 0.00 0.00
183
+ ATOM 183 C PTH 1 96.93 112.05 58.75 0.00 0.00
184
+ ATOM 184 C PTH 1 96.93 112.05 59.75 0.00 0.00
185
+ ATOM 185 C PTH 1 96.93 112.05 60.75 0.00 0.00
186
+ ATOM 186 C PTH 1 96.93 112.05 61.75 0.00 0.00
187
+ ATOM 187 C PTH 1 96.93 112.05 62.75 0.00 0.00
188
+ ATOM 188 C PTH 1 96.93 113.05 58.75 0.00 0.00
189
+ ATOM 189 C PTH 1 96.93 113.05 59.75 0.00 0.00
190
+ ATOM 190 C PTH 1 96.93 113.05 60.75 0.00 0.00
191
+ ATOM 191 C PTH 1 96.93 113.05 61.75 0.00 0.00
192
+ ATOM 192 C PTH 1 96.93 113.05 62.75 0.00 0.00
193
+ ATOM 193 C PTH 1 96.93 114.05 58.75 0.00 0.00
194
+ ATOM 194 C PTH 1 96.93 114.05 59.75 0.00 0.00
195
+ ATOM 195 C PTH 1 96.93 114.05 60.75 0.00 0.00
196
+ ATOM 196 C PTH 1 96.93 114.05 61.75 0.00 0.00
197
+ ATOM 197 C PTH 1 96.93 114.05 62.75 0.00 0.00
198
+ ATOM 198 C PTH 1 96.93 115.05 61.75 0.00 0.00
199
+ ATOM 199 C PTH 1 96.93 115.05 62.75 0.00 0.00
200
+ ATOM 200 C PTH 1 97.93 111.05 60.75 0.00 0.00
201
+ ATOM 201 C PTH 1 97.93 112.05 59.75 0.00 0.00
202
+ ATOM 202 C PTH 1 97.93 112.05 60.75 0.00 0.00
203
+ ATOM 203 C PTH 1 97.93 112.05 61.75 0.00 0.00
204
+ ATOM 204 C PTH 1 97.93 113.05 59.75 0.00 0.00
205
+ ATOM 205 C PTH 1 97.93 113.05 60.75 0.00 0.00
206
+ ATOM 206 C PTH 1 97.93 113.05 61.75 0.00 0.00
data/files/A000T/pocket_06.pdb ADDED
@@ -0,0 +1,190 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 90.93 107.05 54.75 0.00 0.00
2
+ ATOM 2 C PTH 1 91.93 105.05 55.75 0.00 0.00
3
+ ATOM 3 C PTH 1 91.93 105.05 56.75 0.00 0.00
4
+ ATOM 4 C PTH 1 91.93 106.05 54.75 0.00 0.00
5
+ ATOM 5 C PTH 1 91.93 106.05 55.75 0.00 0.00
6
+ ATOM 6 C PTH 1 91.93 106.05 56.75 0.00 0.00
7
+ ATOM 7 C PTH 1 91.93 107.05 53.75 0.00 0.00
8
+ ATOM 8 C PTH 1 91.93 107.05 54.75 0.00 0.00
9
+ ATOM 9 C PTH 1 91.93 107.05 55.75 0.00 0.00
10
+ ATOM 10 C PTH 1 91.93 107.05 56.75 0.00 0.00
11
+ ATOM 11 C PTH 1 91.93 108.05 51.75 0.00 0.00
12
+ ATOM 12 C PTH 1 91.93 108.05 52.75 0.00 0.00
13
+ ATOM 13 C PTH 1 91.93 108.05 53.75 0.00 0.00
14
+ ATOM 14 C PTH 1 91.93 108.05 54.75 0.00 0.00
15
+ ATOM 15 C PTH 1 91.93 108.05 55.75 0.00 0.00
16
+ ATOM 16 C PTH 1 91.93 109.05 51.75 0.00 0.00
17
+ ATOM 17 C PTH 1 91.93 109.05 52.75 0.00 0.00
18
+ ATOM 18 C PTH 1 91.93 109.05 53.75 0.00 0.00
19
+ ATOM 19 C PTH 1 91.93 109.05 54.75 0.00 0.00
20
+ ATOM 20 C PTH 1 91.93 109.05 55.75 0.00 0.00
21
+ ATOM 21 C PTH 1 91.93 110.05 51.75 0.00 0.00
22
+ ATOM 22 C PTH 1 91.93 110.05 52.75 0.00 0.00
23
+ ATOM 23 C PTH 1 91.93 110.05 53.75 0.00 0.00
24
+ ATOM 24 C PTH 1 91.93 110.05 54.75 0.00 0.00
25
+ ATOM 25 C PTH 1 91.93 110.05 55.75 0.00 0.00
26
+ ATOM 26 C PTH 1 91.93 110.05 56.75 0.00 0.00
27
+ ATOM 27 C PTH 1 91.93 111.05 52.75 0.00 0.00
28
+ ATOM 28 C PTH 1 91.93 111.05 53.75 0.00 0.00
29
+ ATOM 29 C PTH 1 91.93 111.05 54.75 0.00 0.00
30
+ ATOM 30 C PTH 1 91.93 111.05 55.75 0.00 0.00
31
+ ATOM 31 C PTH 1 91.93 111.05 56.75 0.00 0.00
32
+ ATOM 32 C PTH 1 91.93 112.05 54.75 0.00 0.00
33
+ ATOM 33 C PTH 1 91.93 112.05 55.75 0.00 0.00
34
+ ATOM 34 C PTH 1 91.93 112.05 56.75 0.00 0.00
35
+ ATOM 35 C PTH 1 92.93 104.05 56.75 0.00 0.00
36
+ ATOM 36 C PTH 1 92.93 105.05 55.75 0.00 0.00
37
+ ATOM 37 C PTH 1 92.93 105.05 56.75 0.00 0.00
38
+ ATOM 38 C PTH 1 92.93 105.05 57.75 0.00 0.00
39
+ ATOM 39 C PTH 1 92.93 106.05 54.75 0.00 0.00
40
+ ATOM 40 C PTH 1 92.93 106.05 55.75 0.00 0.00
41
+ ATOM 41 C PTH 1 92.93 106.05 56.75 0.00 0.00
42
+ ATOM 42 C PTH 1 92.93 106.05 57.75 0.00 0.00
43
+ ATOM 43 C PTH 1 92.93 107.05 53.75 0.00 0.00
44
+ ATOM 44 C PTH 1 92.93 107.05 54.75 0.00 0.00
45
+ ATOM 45 C PTH 1 92.93 107.05 55.75 0.00 0.00
46
+ ATOM 46 C PTH 1 92.93 107.05 56.75 0.00 0.00
47
+ ATOM 47 C PTH 1 92.93 107.05 57.75 0.00 0.00
48
+ ATOM 48 C PTH 1 92.93 108.05 51.75 0.00 0.00
49
+ ATOM 49 C PTH 1 92.93 108.05 52.75 0.00 0.00
50
+ ATOM 50 C PTH 1 92.93 108.05 53.75 0.00 0.00
51
+ ATOM 51 C PTH 1 92.93 108.05 54.75 0.00 0.00
52
+ ATOM 52 C PTH 1 92.93 108.05 55.75 0.00 0.00
53
+ ATOM 53 C PTH 1 92.93 108.05 56.75 0.00 0.00
54
+ ATOM 54 C PTH 1 92.93 109.05 51.75 0.00 0.00
55
+ ATOM 55 C PTH 1 92.93 109.05 52.75 0.00 0.00
56
+ ATOM 56 C PTH 1 92.93 109.05 53.75 0.00 0.00
57
+ ATOM 57 C PTH 1 92.93 109.05 54.75 0.00 0.00
58
+ ATOM 58 C PTH 1 92.93 109.05 55.75 0.00 0.00
59
+ ATOM 59 C PTH 1 92.93 109.05 56.75 0.00 0.00
60
+ ATOM 60 C PTH 1 92.93 109.05 57.75 0.00 0.00
61
+ ATOM 61 C PTH 1 92.93 110.05 51.75 0.00 0.00
62
+ ATOM 62 C PTH 1 92.93 110.05 52.75 0.00 0.00
63
+ ATOM 63 C PTH 1 92.93 110.05 53.75 0.00 0.00
64
+ ATOM 64 C PTH 1 92.93 110.05 54.75 0.00 0.00
65
+ ATOM 65 C PTH 1 92.93 110.05 55.75 0.00 0.00
66
+ ATOM 66 C PTH 1 92.93 110.05 56.75 0.00 0.00
67
+ ATOM 67 C PTH 1 92.93 110.05 57.75 0.00 0.00
68
+ ATOM 68 C PTH 1 92.93 111.05 51.75 0.00 0.00
69
+ ATOM 69 C PTH 1 92.93 111.05 52.75 0.00 0.00
70
+ ATOM 70 C PTH 1 92.93 111.05 53.75 0.00 0.00
71
+ ATOM 71 C PTH 1 92.93 111.05 54.75 0.00 0.00
72
+ ATOM 72 C PTH 1 92.93 111.05 55.75 0.00 0.00
73
+ ATOM 73 C PTH 1 92.93 111.05 56.75 0.00 0.00
74
+ ATOM 74 C PTH 1 92.93 111.05 57.75 0.00 0.00
75
+ ATOM 75 C PTH 1 92.93 112.05 53.75 0.00 0.00
76
+ ATOM 76 C PTH 1 92.93 112.05 54.75 0.00 0.00
77
+ ATOM 77 C PTH 1 92.93 112.05 55.75 0.00 0.00
78
+ ATOM 78 C PTH 1 92.93 112.05 56.75 0.00 0.00
79
+ ATOM 79 C PTH 1 92.93 112.05 57.75 0.00 0.00
80
+ ATOM 80 C PTH 1 92.93 113.05 53.75 0.00 0.00
81
+ ATOM 81 C PTH 1 92.93 113.05 54.75 0.00 0.00
82
+ ATOM 82 C PTH 1 92.93 113.05 55.75 0.00 0.00
83
+ ATOM 83 C PTH 1 92.93 113.05 56.75 0.00 0.00
84
+ ATOM 84 C PTH 1 93.93 104.05 55.75 0.00 0.00
85
+ ATOM 85 C PTH 1 93.93 104.05 56.75 0.00 0.00
86
+ ATOM 86 C PTH 1 93.93 104.05 57.75 0.00 0.00
87
+ ATOM 87 C PTH 1 93.93 105.05 54.75 0.00 0.00
88
+ ATOM 88 C PTH 1 93.93 105.05 55.75 0.00 0.00
89
+ ATOM 89 C PTH 1 93.93 105.05 56.75 0.00 0.00
90
+ ATOM 90 C PTH 1 93.93 105.05 57.75 0.00 0.00
91
+ ATOM 91 C PTH 1 93.93 106.05 54.75 0.00 0.00
92
+ ATOM 92 C PTH 1 93.93 106.05 55.75 0.00 0.00
93
+ ATOM 93 C PTH 1 93.93 106.05 56.75 0.00 0.00
94
+ ATOM 94 C PTH 1 93.93 106.05 57.75 0.00 0.00
95
+ ATOM 95 C PTH 1 93.93 107.05 53.75 0.00 0.00
96
+ ATOM 96 C PTH 1 93.93 107.05 54.75 0.00 0.00
97
+ ATOM 97 C PTH 1 93.93 107.05 55.75 0.00 0.00
98
+ ATOM 98 C PTH 1 93.93 107.05 56.75 0.00 0.00
99
+ ATOM 99 C PTH 1 93.93 107.05 57.75 0.00 0.00
100
+ ATOM 100 C PTH 1 93.93 108.05 52.75 0.00 0.00
101
+ ATOM 101 C PTH 1 93.93 108.05 53.75 0.00 0.00
102
+ ATOM 102 C PTH 1 93.93 108.05 54.75 0.00 0.00
103
+ ATOM 103 C PTH 1 93.93 108.05 55.75 0.00 0.00
104
+ ATOM 104 C PTH 1 93.93 108.05 56.75 0.00 0.00
105
+ ATOM 105 C PTH 1 93.93 108.05 57.75 0.00 0.00
106
+ ATOM 106 C PTH 1 93.93 109.05 51.75 0.00 0.00
107
+ ATOM 107 C PTH 1 93.93 109.05 52.75 0.00 0.00
108
+ ATOM 108 C PTH 1 93.93 109.05 53.75 0.00 0.00
109
+ ATOM 109 C PTH 1 93.93 109.05 54.75 0.00 0.00
110
+ ATOM 110 C PTH 1 93.93 109.05 55.75 0.00 0.00
111
+ ATOM 111 C PTH 1 93.93 109.05 56.75 0.00 0.00
112
+ ATOM 112 C PTH 1 93.93 109.05 57.75 0.00 0.00
113
+ ATOM 113 C PTH 1 93.93 110.05 51.75 0.00 0.00
114
+ ATOM 114 C PTH 1 93.93 110.05 52.75 0.00 0.00
115
+ ATOM 115 C PTH 1 93.93 110.05 53.75 0.00 0.00
116
+ ATOM 116 C PTH 1 93.93 110.05 54.75 0.00 0.00
117
+ ATOM 117 C PTH 1 93.93 110.05 55.75 0.00 0.00
118
+ ATOM 118 C PTH 1 93.93 110.05 56.75 0.00 0.00
119
+ ATOM 119 C PTH 1 93.93 111.05 51.75 0.00 0.00
120
+ ATOM 120 C PTH 1 93.93 111.05 52.75 0.00 0.00
121
+ ATOM 121 C PTH 1 93.93 111.05 53.75 0.00 0.00
122
+ ATOM 122 C PTH 1 93.93 111.05 54.75 0.00 0.00
123
+ ATOM 123 C PTH 1 93.93 111.05 55.75 0.00 0.00
124
+ ATOM 124 C PTH 1 93.93 111.05 56.75 0.00 0.00
125
+ ATOM 125 C PTH 1 93.93 112.05 52.75 0.00 0.00
126
+ ATOM 126 C PTH 1 93.93 112.05 53.75 0.00 0.00
127
+ ATOM 127 C PTH 1 93.93 112.05 54.75 0.00 0.00
128
+ ATOM 128 C PTH 1 93.93 112.05 55.75 0.00 0.00
129
+ ATOM 129 C PTH 1 93.93 112.05 56.75 0.00 0.00
130
+ ATOM 130 C PTH 1 93.93 113.05 53.75 0.00 0.00
131
+ ATOM 131 C PTH 1 93.93 113.05 54.75 0.00 0.00
132
+ ATOM 132 C PTH 1 93.93 113.05 55.75 0.00 0.00
133
+ ATOM 133 C PTH 1 93.93 113.05 56.75 0.00 0.00
134
+ ATOM 134 C PTH 1 94.93 104.05 55.75 0.00 0.00
135
+ ATOM 135 C PTH 1 94.93 104.05 56.75 0.00 0.00
136
+ ATOM 136 C PTH 1 94.93 104.05 57.75 0.00 0.00
137
+ ATOM 137 C PTH 1 94.93 105.05 54.75 0.00 0.00
138
+ ATOM 138 C PTH 1 94.93 105.05 55.75 0.00 0.00
139
+ ATOM 139 C PTH 1 94.93 105.05 56.75 0.00 0.00
140
+ ATOM 140 C PTH 1 94.93 105.05 57.75 0.00 0.00
141
+ ATOM 141 C PTH 1 94.93 106.05 54.75 0.00 0.00
142
+ ATOM 142 C PTH 1 94.93 106.05 55.75 0.00 0.00
143
+ ATOM 143 C PTH 1 94.93 106.05 56.75 0.00 0.00
144
+ ATOM 144 C PTH 1 94.93 106.05 57.75 0.00 0.00
145
+ ATOM 145 C PTH 1 94.93 107.05 54.75 0.00 0.00
146
+ ATOM 146 C PTH 1 94.93 107.05 55.75 0.00 0.00
147
+ ATOM 147 C PTH 1 94.93 107.05 56.75 0.00 0.00
148
+ ATOM 148 C PTH 1 94.93 107.05 57.75 0.00 0.00
149
+ ATOM 149 C PTH 1 94.93 108.05 53.75 0.00 0.00
150
+ ATOM 150 C PTH 1 94.93 108.05 54.75 0.00 0.00
151
+ ATOM 151 C PTH 1 94.93 108.05 55.75 0.00 0.00
152
+ ATOM 152 C PTH 1 94.93 108.05 56.75 0.00 0.00
153
+ ATOM 153 C PTH 1 94.93 108.05 57.75 0.00 0.00
154
+ ATOM 154 C PTH 1 94.93 109.05 53.75 0.00 0.00
155
+ ATOM 155 C PTH 1 94.93 109.05 54.75 0.00 0.00
156
+ ATOM 156 C PTH 1 94.93 109.05 55.75 0.00 0.00
157
+ ATOM 157 C PTH 1 94.93 109.05 56.75 0.00 0.00
158
+ ATOM 158 C PTH 1 94.93 109.05 57.75 0.00 0.00
159
+ ATOM 159 C PTH 1 94.93 110.05 52.75 0.00 0.00
160
+ ATOM 160 C PTH 1 94.93 110.05 53.75 0.00 0.00
161
+ ATOM 161 C PTH 1 94.93 110.05 54.75 0.00 0.00
162
+ ATOM 162 C PTH 1 94.93 110.05 55.75 0.00 0.00
163
+ ATOM 163 C PTH 1 94.93 110.05 56.75 0.00 0.00
164
+ ATOM 164 C PTH 1 94.93 111.05 51.75 0.00 0.00
165
+ ATOM 165 C PTH 1 94.93 111.05 52.75 0.00 0.00
166
+ ATOM 166 C PTH 1 94.93 111.05 53.75 0.00 0.00
167
+ ATOM 167 C PTH 1 94.93 111.05 54.75 0.00 0.00
168
+ ATOM 168 C PTH 1 94.93 111.05 55.75 0.00 0.00
169
+ ATOM 169 C PTH 1 94.93 111.05 56.75 0.00 0.00
170
+ ATOM 170 C PTH 1 94.93 112.05 52.75 0.00 0.00
171
+ ATOM 171 C PTH 1 94.93 112.05 53.75 0.00 0.00
172
+ ATOM 172 C PTH 1 94.93 112.05 54.75 0.00 0.00
173
+ ATOM 173 C PTH 1 94.93 112.05 55.75 0.00 0.00
174
+ ATOM 174 C PTH 1 94.93 112.05 56.75 0.00 0.00
175
+ ATOM 175 C PTH 1 94.93 113.05 55.75 0.00 0.00
176
+ ATOM 176 C PTH 1 94.93 113.05 56.75 0.00 0.00
177
+ ATOM 177 C PTH 1 95.93 105.05 55.75 0.00 0.00
178
+ ATOM 178 C PTH 1 95.93 105.05 56.75 0.00 0.00
179
+ ATOM 179 C PTH 1 95.93 105.05 57.75 0.00 0.00
180
+ ATOM 180 C PTH 1 95.93 106.05 55.75 0.00 0.00
181
+ ATOM 181 C PTH 1 95.93 106.05 56.75 0.00 0.00
182
+ ATOM 182 C PTH 1 95.93 106.05 57.75 0.00 0.00
183
+ ATOM 183 C PTH 1 95.93 107.05 54.75 0.00 0.00
184
+ ATOM 184 C PTH 1 95.93 107.05 55.75 0.00 0.00
185
+ ATOM 185 C PTH 1 95.93 110.05 55.75 0.00 0.00
186
+ ATOM 186 C PTH 1 95.93 110.05 56.75 0.00 0.00
187
+ ATOM 187 C PTH 1 95.93 111.05 55.75 0.00 0.00
188
+ ATOM 188 C PTH 1 95.93 111.05 56.75 0.00 0.00
189
+ ATOM 189 C PTH 1 95.93 112.05 55.75 0.00 0.00
190
+ ATOM 190 C PTH 1 95.93 112.05 56.75 0.00 0.00
data/files/A000T/pocket_07.pdb ADDED
@@ -0,0 +1,175 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 87.93 134.05 57.75 0.00 0.00
2
+ ATOM 2 C PTH 1 87.93 134.05 58.75 0.00 0.00
3
+ ATOM 3 C PTH 1 87.93 135.05 57.75 0.00 0.00
4
+ ATOM 4 C PTH 1 88.93 130.05 59.75 0.00 0.00
5
+ ATOM 5 C PTH 1 88.93 130.05 60.75 0.00 0.00
6
+ ATOM 6 C PTH 1 88.93 131.05 58.75 0.00 0.00
7
+ ATOM 7 C PTH 1 88.93 131.05 59.75 0.00 0.00
8
+ ATOM 8 C PTH 1 88.93 131.05 60.75 0.00 0.00
9
+ ATOM 9 C PTH 1 88.93 132.05 57.75 0.00 0.00
10
+ ATOM 10 C PTH 1 88.93 132.05 58.75 0.00 0.00
11
+ ATOM 11 C PTH 1 88.93 132.05 59.75 0.00 0.00
12
+ ATOM 12 C PTH 1 88.93 132.05 60.75 0.00 0.00
13
+ ATOM 13 C PTH 1 88.93 133.05 57.75 0.00 0.00
14
+ ATOM 14 C PTH 1 88.93 133.05 58.75 0.00 0.00
15
+ ATOM 15 C PTH 1 88.93 133.05 59.75 0.00 0.00
16
+ ATOM 16 C PTH 1 88.93 134.05 56.75 0.00 0.00
17
+ ATOM 17 C PTH 1 88.93 134.05 57.75 0.00 0.00
18
+ ATOM 18 C PTH 1 88.93 134.05 58.75 0.00 0.00
19
+ ATOM 19 C PTH 1 88.93 134.05 59.75 0.00 0.00
20
+ ATOM 20 C PTH 1 88.93 135.05 56.75 0.00 0.00
21
+ ATOM 21 C PTH 1 88.93 135.05 57.75 0.00 0.00
22
+ ATOM 22 C PTH 1 88.93 135.05 58.75 0.00 0.00
23
+ ATOM 23 C PTH 1 89.93 128.05 62.75 0.00 0.00
24
+ ATOM 24 C PTH 1 89.93 129.05 60.75 0.00 0.00
25
+ ATOM 25 C PTH 1 89.93 129.05 61.75 0.00 0.00
26
+ ATOM 26 C PTH 1 89.93 130.05 58.75 0.00 0.00
27
+ ATOM 27 C PTH 1 89.93 130.05 59.75 0.00 0.00
28
+ ATOM 28 C PTH 1 89.93 130.05 60.75 0.00 0.00
29
+ ATOM 29 C PTH 1 89.93 130.05 61.75 0.00 0.00
30
+ ATOM 30 C PTH 1 89.93 131.05 57.75 0.00 0.00
31
+ ATOM 31 C PTH 1 89.93 131.05 58.75 0.00 0.00
32
+ ATOM 32 C PTH 1 89.93 131.05 59.75 0.00 0.00
33
+ ATOM 33 C PTH 1 89.93 131.05 60.75 0.00 0.00
34
+ ATOM 34 C PTH 1 89.93 131.05 61.75 0.00 0.00
35
+ ATOM 35 C PTH 1 89.93 132.05 57.75 0.00 0.00
36
+ ATOM 36 C PTH 1 89.93 132.05 58.75 0.00 0.00
37
+ ATOM 37 C PTH 1 89.93 132.05 59.75 0.00 0.00
38
+ ATOM 38 C PTH 1 89.93 132.05 60.75 0.00 0.00
39
+ ATOM 39 C PTH 1 89.93 133.05 56.75 0.00 0.00
40
+ ATOM 40 C PTH 1 89.93 133.05 57.75 0.00 0.00
41
+ ATOM 41 C PTH 1 89.93 133.05 58.75 0.00 0.00
42
+ ATOM 42 C PTH 1 89.93 133.05 59.75 0.00 0.00
43
+ ATOM 43 C PTH 1 89.93 133.05 60.75 0.00 0.00
44
+ ATOM 44 C PTH 1 89.93 134.05 56.75 0.00 0.00
45
+ ATOM 45 C PTH 1 89.93 134.05 57.75 0.00 0.00
46
+ ATOM 46 C PTH 1 89.93 134.05 58.75 0.00 0.00
47
+ ATOM 47 C PTH 1 89.93 134.05 59.75 0.00 0.00
48
+ ATOM 48 C PTH 1 89.93 135.05 56.75 0.00 0.00
49
+ ATOM 49 C PTH 1 89.93 135.05 57.75 0.00 0.00
50
+ ATOM 50 C PTH 1 90.93 128.05 60.75 0.00 0.00
51
+ ATOM 51 C PTH 1 90.93 128.05 61.75 0.00 0.00
52
+ ATOM 52 C PTH 1 90.93 128.05 62.75 0.00 0.00
53
+ ATOM 53 C PTH 1 90.93 129.05 59.75 0.00 0.00
54
+ ATOM 54 C PTH 1 90.93 129.05 60.75 0.00 0.00
55
+ ATOM 55 C PTH 1 90.93 129.05 61.75 0.00 0.00
56
+ ATOM 56 C PTH 1 90.93 129.05 62.75 0.00 0.00
57
+ ATOM 57 C PTH 1 90.93 130.05 57.75 0.00 0.00
58
+ ATOM 58 C PTH 1 90.93 130.05 58.75 0.00 0.00
59
+ ATOM 59 C PTH 1 90.93 130.05 59.75 0.00 0.00
60
+ ATOM 60 C PTH 1 90.93 130.05 60.75 0.00 0.00
61
+ ATOM 61 C PTH 1 90.93 130.05 61.75 0.00 0.00
62
+ ATOM 62 C PTH 1 90.93 131.05 57.75 0.00 0.00
63
+ ATOM 63 C PTH 1 90.93 131.05 58.75 0.00 0.00
64
+ ATOM 64 C PTH 1 90.93 131.05 59.75 0.00 0.00
65
+ ATOM 65 C PTH 1 90.93 131.05 60.75 0.00 0.00
66
+ ATOM 66 C PTH 1 90.93 131.05 61.75 0.00 0.00
67
+ ATOM 67 C PTH 1 90.93 132.05 56.75 0.00 0.00
68
+ ATOM 68 C PTH 1 90.93 132.05 57.75 0.00 0.00
69
+ ATOM 69 C PTH 1 90.93 132.05 58.75 0.00 0.00
70
+ ATOM 70 C PTH 1 90.93 132.05 59.75 0.00 0.00
71
+ ATOM 71 C PTH 1 90.93 132.05 60.75 0.00 0.00
72
+ ATOM 72 C PTH 1 90.93 133.05 56.75 0.00 0.00
73
+ ATOM 73 C PTH 1 90.93 133.05 57.75 0.00 0.00
74
+ ATOM 74 C PTH 1 90.93 133.05 58.75 0.00 0.00
75
+ ATOM 75 C PTH 1 90.93 133.05 59.75 0.00 0.00
76
+ ATOM 76 C PTH 1 90.93 133.05 60.75 0.00 0.00
77
+ ATOM 77 C PTH 1 90.93 134.05 56.75 0.00 0.00
78
+ ATOM 78 C PTH 1 90.93 134.05 57.75 0.00 0.00
79
+ ATOM 79 C PTH 1 90.93 134.05 58.75 0.00 0.00
80
+ ATOM 80 C PTH 1 90.93 134.05 59.75 0.00 0.00
81
+ ATOM 81 C PTH 1 90.93 135.05 56.75 0.00 0.00
82
+ ATOM 82 C PTH 1 91.93 128.05 60.75 0.00 0.00
83
+ ATOM 83 C PTH 1 91.93 128.05 61.75 0.00 0.00
84
+ ATOM 84 C PTH 1 91.93 128.05 62.75 0.00 0.00
85
+ ATOM 85 C PTH 1 91.93 129.05 58.75 0.00 0.00
86
+ ATOM 86 C PTH 1 91.93 129.05 59.75 0.00 0.00
87
+ ATOM 87 C PTH 1 91.93 129.05 60.75 0.00 0.00
88
+ ATOM 88 C PTH 1 91.93 129.05 61.75 0.00 0.00
89
+ ATOM 89 C PTH 1 91.93 129.05 62.75 0.00 0.00
90
+ ATOM 90 C PTH 1 91.93 130.05 57.75 0.00 0.00
91
+ ATOM 91 C PTH 1 91.93 130.05 58.75 0.00 0.00
92
+ ATOM 92 C PTH 1 91.93 130.05 59.75 0.00 0.00
93
+ ATOM 93 C PTH 1 91.93 130.05 60.75 0.00 0.00
94
+ ATOM 94 C PTH 1 91.93 130.05 61.75 0.00 0.00
95
+ ATOM 95 C PTH 1 91.93 130.05 62.75 0.00 0.00
96
+ ATOM 96 C PTH 1 91.93 131.05 56.75 0.00 0.00
97
+ ATOM 97 C PTH 1 91.93 131.05 57.75 0.00 0.00
98
+ ATOM 98 C PTH 1 91.93 131.05 58.75 0.00 0.00
99
+ ATOM 99 C PTH 1 91.93 131.05 59.75 0.00 0.00
100
+ ATOM 100 C PTH 1 91.93 131.05 60.75 0.00 0.00
101
+ ATOM 101 C PTH 1 91.93 131.05 61.75 0.00 0.00
102
+ ATOM 102 C PTH 1 91.93 131.05 62.75 0.00 0.00
103
+ ATOM 103 C PTH 1 91.93 132.05 56.75 0.00 0.00
104
+ ATOM 104 C PTH 1 91.93 132.05 57.75 0.00 0.00
105
+ ATOM 105 C PTH 1 91.93 132.05 58.75 0.00 0.00
106
+ ATOM 106 C PTH 1 91.93 132.05 59.75 0.00 0.00
107
+ ATOM 107 C PTH 1 91.93 132.05 60.75 0.00 0.00
108
+ ATOM 108 C PTH 1 91.93 132.05 61.75 0.00 0.00
109
+ ATOM 109 C PTH 1 91.93 133.05 57.75 0.00 0.00
110
+ ATOM 110 C PTH 1 91.93 133.05 58.75 0.00 0.00
111
+ ATOM 111 C PTH 1 91.93 133.05 59.75 0.00 0.00
112
+ ATOM 112 C PTH 1 91.93 133.05 60.75 0.00 0.00
113
+ ATOM 113 C PTH 1 92.93 128.05 61.75 0.00 0.00
114
+ ATOM 114 C PTH 1 92.93 128.05 62.75 0.00 0.00
115
+ ATOM 115 C PTH 1 92.93 129.05 58.75 0.00 0.00
116
+ ATOM 116 C PTH 1 92.93 129.05 59.75 0.00 0.00
117
+ ATOM 117 C PTH 1 92.93 129.05 60.75 0.00 0.00
118
+ ATOM 118 C PTH 1 92.93 129.05 61.75 0.00 0.00
119
+ ATOM 119 C PTH 1 92.93 129.05 62.75 0.00 0.00
120
+ ATOM 120 C PTH 1 92.93 130.05 57.75 0.00 0.00
121
+ ATOM 121 C PTH 1 92.93 130.05 58.75 0.00 0.00
122
+ ATOM 122 C PTH 1 92.93 130.05 59.75 0.00 0.00
123
+ ATOM 123 C PTH 1 92.93 130.05 60.75 0.00 0.00
124
+ ATOM 124 C PTH 1 92.93 130.05 61.75 0.00 0.00
125
+ ATOM 125 C PTH 1 92.93 130.05 62.75 0.00 0.00
126
+ ATOM 126 C PTH 1 92.93 131.05 56.75 0.00 0.00
127
+ ATOM 127 C PTH 1 92.93 131.05 57.75 0.00 0.00
128
+ ATOM 128 C PTH 1 92.93 131.05 58.75 0.00 0.00
129
+ ATOM 129 C PTH 1 92.93 131.05 59.75 0.00 0.00
130
+ ATOM 130 C PTH 1 92.93 131.05 60.75 0.00 0.00
131
+ ATOM 131 C PTH 1 92.93 131.05 61.75 0.00 0.00
132
+ ATOM 132 C PTH 1 92.93 131.05 62.75 0.00 0.00
133
+ ATOM 133 C PTH 1 92.93 132.05 56.75 0.00 0.00
134
+ ATOM 134 C PTH 1 92.93 132.05 57.75 0.00 0.00
135
+ ATOM 135 C PTH 1 92.93 132.05 58.75 0.00 0.00
136
+ ATOM 136 C PTH 1 92.93 132.05 59.75 0.00 0.00
137
+ ATOM 137 C PTH 1 92.93 132.05 60.75 0.00 0.00
138
+ ATOM 138 C PTH 1 92.93 132.05 61.75 0.00 0.00
139
+ ATOM 139 C PTH 1 92.93 132.05 62.75 0.00 0.00
140
+ ATOM 140 C PTH 1 92.93 133.05 57.75 0.00 0.00
141
+ ATOM 141 C PTH 1 92.93 133.05 58.75 0.00 0.00
142
+ ATOM 142 C PTH 1 92.93 133.05 59.75 0.00 0.00
143
+ ATOM 143 C PTH 1 92.93 133.05 60.75 0.00 0.00
144
+ ATOM 144 C PTH 1 92.93 133.05 61.75 0.00 0.00
145
+ ATOM 145 C PTH 1 93.93 129.05 59.75 0.00 0.00
146
+ ATOM 146 C PTH 1 93.93 129.05 60.75 0.00 0.00
147
+ ATOM 147 C PTH 1 93.93 129.05 61.75 0.00 0.00
148
+ ATOM 148 C PTH 1 93.93 130.05 57.75 0.00 0.00
149
+ ATOM 149 C PTH 1 93.93 130.05 58.75 0.00 0.00
150
+ ATOM 150 C PTH 1 93.93 130.05 59.75 0.00 0.00
151
+ ATOM 151 C PTH 1 93.93 130.05 60.75 0.00 0.00
152
+ ATOM 152 C PTH 1 93.93 130.05 61.75 0.00 0.00
153
+ ATOM 153 C PTH 1 93.93 130.05 62.75 0.00 0.00
154
+ ATOM 154 C PTH 1 93.93 131.05 57.75 0.00 0.00
155
+ ATOM 155 C PTH 1 93.93 131.05 58.75 0.00 0.00
156
+ ATOM 156 C PTH 1 93.93 131.05 59.75 0.00 0.00
157
+ ATOM 157 C PTH 1 93.93 131.05 60.75 0.00 0.00
158
+ ATOM 158 C PTH 1 93.93 131.05 61.75 0.00 0.00
159
+ ATOM 159 C PTH 1 93.93 131.05 62.75 0.00 0.00
160
+ ATOM 160 C PTH 1 93.93 132.05 58.75 0.00 0.00
161
+ ATOM 161 C PTH 1 93.93 132.05 59.75 0.00 0.00
162
+ ATOM 162 C PTH 1 93.93 132.05 60.75 0.00 0.00
163
+ ATOM 163 C PTH 1 93.93 132.05 61.75 0.00 0.00
164
+ ATOM 164 C PTH 1 93.93 132.05 62.75 0.00 0.00
165
+ ATOM 165 C PTH 1 93.93 133.05 59.75 0.00 0.00
166
+ ATOM 166 C PTH 1 93.93 133.05 60.75 0.00 0.00
167
+ ATOM 167 C PTH 1 94.93 130.05 59.75 0.00 0.00
168
+ ATOM 168 C PTH 1 94.93 130.05 60.75 0.00 0.00
169
+ ATOM 169 C PTH 1 94.93 131.05 59.75 0.00 0.00
170
+ ATOM 170 C PTH 1 94.93 131.05 60.75 0.00 0.00
171
+ ATOM 171 C PTH 1 94.93 131.05 61.75 0.00 0.00
172
+ ATOM 172 C PTH 1 94.93 132.05 59.75 0.00 0.00
173
+ ATOM 173 C PTH 1 94.93 132.05 60.75 0.00 0.00
174
+ ATOM 174 C PTH 1 94.93 132.05 61.75 0.00 0.00
175
+ ATOM 175 C PTH 1 94.93 132.05 62.75 0.00 0.00