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  1. data/files/A0019/pocket_04.pdb +98 -0
  2. data/files/A001C/pocket_02.pdb +146 -0
  3. data/files/A001C/pocket_03.pdb +135 -0
  4. data/files/A001C/pocket_04.pdb +115 -0
  5. data/files/A001C/pocket_06.pdb +105 -0
  6. data/files/A001C/pocket_08.pdb +52 -0
  7. data/files/A001C/structure.pdb +0 -0
  8. data/files/A002Q/structure.pdb +0 -0
  9. data/files/A003X/pocket_01.pdb +254 -0
  10. data/files/A003X/pocket_02.pdb +220 -0
  11. data/files/A003X/pocket_03.pdb +141 -0
  12. data/files/A003X/pocket_04.pdb +95 -0
  13. data/files/A003X/pocket_05.pdb +92 -0
  14. data/files/A003X/pocket_06.pdb +36 -0
  15. data/files/A003X/structure.pdb +0 -0
  16. data/files/A0040/pocket_02.pdb +345 -0
  17. data/files/A0040/pocket_03.pdb +215 -0
  18. data/files/A0040/pocket_04.pdb +210 -0
  19. data/files/A0040/pocket_06.pdb +108 -0
  20. data/files/A0040/pocket_08.pdb +94 -0
  21. data/files/A0040/structure.pdb +0 -0
  22. data/files/A0042/pocket_02.pdb +271 -0
  23. data/files/A0042/pocket_06.pdb +54 -0
  24. data/files/A005Q/pocket_08.pdb +76 -0
  25. data/files/A005S/pocket_01.pdb +377 -0
  26. data/files/A005X/pocket_03.pdb +142 -0
  27. data/files/A005X/pocket_05.pdb +103 -0
  28. data/files/A005X/pocket_06.pdb +94 -0
  29. data/files/A005X/pocket_08.pdb +85 -0
  30. data/files/A0069/pocket_01.pdb +167 -0
  31. data/files/A0069/pocket_02.pdb +143 -0
  32. data/files/A0069/pocket_03.pdb +133 -0
  33. data/files/A0069/pocket_04.pdb +97 -0
  34. data/files/A0069/pocket_05.pdb +88 -0
  35. data/files/A0069/pocket_06.pdb +87 -0
  36. data/files/A0069/structure.pdb +0 -0
  37. data/files/A007A/pocket_01.pdb +902 -0
  38. data/files/A007A/pocket_02.pdb +177 -0
  39. data/files/A007A/pocket_03.pdb +135 -0
  40. data/files/A007A/pocket_04.pdb +80 -0
  41. data/files/A007A/pocket_05.pdb +73 -0
  42. data/files/A007A/pocket_06.pdb +66 -0
  43. data/files/A007A/pocket_07.pdb +51 -0
  44. data/files/A007A/structure.pdb +0 -0
  45. data/files/A007L/pocket_01.pdb +187 -0
  46. data/files/A007R/pocket_01.pdb +0 -0
  47. data/files/A007R/pocket_02.pdb +451 -0
  48. data/files/A007R/pocket_05.pdb +189 -0
  49. data/files/A007R/pocket_07.pdb +158 -0
  50. data/files/A007R/pocket_09.pdb +147 -0
data/files/A0019/pocket_04.pdb ADDED
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+ ATOM 1 C PTH 1 108.67 98.56 31.38 0.00 0.00
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+ ATOM 98 C PTH 1 113.67 100.56 31.38 0.00 0.00
data/files/A001C/pocket_02.pdb ADDED
@@ -0,0 +1,146 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 76.89 11.03 26.76 0.00 0.00
2
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+ ATOM 136 C PTH 1 81.89 12.03 27.76 0.00 0.00
137
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138
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139
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140
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141
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142
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143
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144
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146
+ ATOM 146 C PTH 1 82.89 12.03 27.76 0.00 0.00
data/files/A001C/pocket_03.pdb ADDED
@@ -0,0 +1,135 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 63.89 11.03 19.76 0.00 0.00
2
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135
+ ATOM 135 C PTH 1 68.89 9.03 18.76 0.00 0.00
data/files/A001C/pocket_04.pdb ADDED
@@ -0,0 +1,115 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 66.89 8.03 19.76 0.00 0.00
2
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3
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115
+ ATOM 115 C PTH 1 71.89 10.03 21.76 0.00 0.00
data/files/A001C/pocket_06.pdb ADDED
@@ -0,0 +1,105 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 46.89 -1.97 43.76 0.00 0.00
2
+ ATOM 2 C PTH 1 46.89 -1.97 44.76 0.00 0.00
3
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15
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16
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18
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19
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20
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23
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25
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26
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38
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39
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78
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79
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80
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100
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101
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105
+ ATOM 105 C PTH 1 52.89 -1.97 44.76 0.00 0.00
data/files/A001C/pocket_08.pdb ADDED
@@ -0,0 +1,52 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 50.89 8.03 43.76 0.00 0.00
2
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+ ATOM 52 C PTH 1 54.89 9.03 45.76 0.00 0.00
data/files/A001C/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A002Q/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A003X/pocket_01.pdb ADDED
@@ -0,0 +1,254 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 74.01 74.8 26.79 0.00 0.00
2
+ ATOM 2 C PTH 1 74.01 74.8 27.79 0.00 0.00
3
+ ATOM 3 C PTH 1 74.01 74.8 28.79 0.00 0.00
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+ ATOM 13 C PTH 1 75.01 67.8 30.79 0.00 0.00
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96
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+ ATOM 130 C PTH 1 77.01 73.8 26.79 0.00 0.00
131
+ ATOM 131 C PTH 1 77.01 73.8 27.79 0.00 0.00
132
+ ATOM 132 C PTH 1 77.01 73.8 28.79 0.00 0.00
133
+ ATOM 133 C PTH 1 77.01 73.8 29.79 0.00 0.00
134
+ ATOM 134 C PTH 1 77.01 74.8 26.79 0.00 0.00
135
+ ATOM 135 C PTH 1 77.01 74.8 27.79 0.00 0.00
136
+ ATOM 136 C PTH 1 77.01 74.8 28.79 0.00 0.00
137
+ ATOM 137 C PTH 1 77.01 74.8 29.79 0.00 0.00
138
+ ATOM 138 C PTH 1 77.01 75.8 26.79 0.00 0.00
139
+ ATOM 139 C PTH 1 77.01 75.8 27.79 0.00 0.00
140
+ ATOM 140 C PTH 1 77.01 75.8 28.79 0.00 0.00
141
+ ATOM 141 C PTH 1 77.01 75.8 29.79 0.00 0.00
142
+ ATOM 142 C PTH 1 77.01 76.8 26.79 0.00 0.00
143
+ ATOM 143 C PTH 1 77.01 76.8 27.79 0.00 0.00
144
+ ATOM 144 C PTH 1 77.01 76.8 28.79 0.00 0.00
145
+ ATOM 145 C PTH 1 78.01 67.8 28.79 0.00 0.00
146
+ ATOM 146 C PTH 1 78.01 67.8 29.79 0.00 0.00
147
+ ATOM 147 C PTH 1 78.01 67.8 30.79 0.00 0.00
148
+ ATOM 148 C PTH 1 78.01 68.8 27.79 0.00 0.00
149
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150
+ ATOM 150 C PTH 1 78.01 68.8 29.79 0.00 0.00
151
+ ATOM 151 C PTH 1 78.01 68.8 30.79 0.00 0.00
152
+ ATOM 152 C PTH 1 78.01 68.8 31.79 0.00 0.00
153
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154
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155
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156
+ ATOM 156 C PTH 1 78.01 69.8 30.79 0.00 0.00
157
+ ATOM 157 C PTH 1 78.01 69.8 31.79 0.00 0.00
158
+ ATOM 158 C PTH 1 78.01 69.8 32.79 0.00 0.00
159
+ ATOM 159 C PTH 1 78.01 70.8 27.79 0.00 0.00
160
+ ATOM 160 C PTH 1 78.01 70.8 28.79 0.00 0.00
161
+ ATOM 161 C PTH 1 78.01 70.8 29.79 0.00 0.00
162
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163
+ ATOM 163 C PTH 1 78.01 70.8 31.79 0.00 0.00
164
+ ATOM 164 C PTH 1 78.01 70.8 32.79 0.00 0.00
165
+ ATOM 165 C PTH 1 78.01 71.8 26.79 0.00 0.00
166
+ ATOM 166 C PTH 1 78.01 71.8 27.79 0.00 0.00
167
+ ATOM 167 C PTH 1 78.01 71.8 28.79 0.00 0.00
168
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169
+ ATOM 169 C PTH 1 78.01 71.8 30.79 0.00 0.00
170
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171
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172
+ ATOM 172 C PTH 1 78.01 72.8 26.79 0.00 0.00
173
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174
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175
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176
+ ATOM 176 C PTH 1 78.01 72.8 30.79 0.00 0.00
177
+ ATOM 177 C PTH 1 78.01 73.8 26.79 0.00 0.00
178
+ ATOM 178 C PTH 1 78.01 73.8 27.79 0.00 0.00
179
+ ATOM 179 C PTH 1 78.01 73.8 28.79 0.00 0.00
180
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181
+ ATOM 181 C PTH 1 78.01 74.8 26.79 0.00 0.00
182
+ ATOM 182 C PTH 1 78.01 74.8 27.79 0.00 0.00
183
+ ATOM 183 C PTH 1 78.01 74.8 28.79 0.00 0.00
184
+ ATOM 184 C PTH 1 78.01 74.8 29.79 0.00 0.00
185
+ ATOM 185 C PTH 1 78.01 75.8 26.79 0.00 0.00
186
+ ATOM 186 C PTH 1 78.01 75.8 27.79 0.00 0.00
187
+ ATOM 187 C PTH 1 78.01 75.8 28.79 0.00 0.00
188
+ ATOM 188 C PTH 1 78.01 75.8 29.79 0.00 0.00
189
+ ATOM 189 C PTH 1 78.01 76.8 26.79 0.00 0.00
190
+ ATOM 190 C PTH 1 78.01 76.8 27.79 0.00 0.00
191
+ ATOM 191 C PTH 1 78.01 76.8 28.79 0.00 0.00
192
+ ATOM 192 C PTH 1 79.01 68.8 28.79 0.00 0.00
193
+ ATOM 193 C PTH 1 79.01 68.8 29.79 0.00 0.00
194
+ ATOM 194 C PTH 1 79.01 68.8 30.79 0.00 0.00
195
+ ATOM 195 C PTH 1 79.01 68.8 31.79 0.00 0.00
196
+ ATOM 196 C PTH 1 79.01 69.8 27.79 0.00 0.00
197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
+ ATOM 222 C PTH 1 79.01 74.8 26.79 0.00 0.00
223
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224
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225
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226
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227
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228
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229
+ ATOM 229 C PTH 1 80.01 69.8 28.79 0.00 0.00
230
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231
+ ATOM 231 C PTH 1 80.01 69.8 30.79 0.00 0.00
232
+ ATOM 232 C PTH 1 80.01 70.8 28.79 0.00 0.00
233
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234
+ ATOM 234 C PTH 1 80.01 70.8 30.79 0.00 0.00
235
+ ATOM 235 C PTH 1 80.01 71.8 26.79 0.00 0.00
236
+ ATOM 236 C PTH 1 80.01 71.8 27.79 0.00 0.00
237
+ ATOM 237 C PTH 1 80.01 71.8 28.79 0.00 0.00
238
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239
+ ATOM 239 C PTH 1 80.01 71.8 30.79 0.00 0.00
240
+ ATOM 240 C PTH 1 80.01 72.8 26.79 0.00 0.00
241
+ ATOM 241 C PTH 1 80.01 72.8 27.79 0.00 0.00
242
+ ATOM 242 C PTH 1 80.01 72.8 28.79 0.00 0.00
243
+ ATOM 243 C PTH 1 80.01 72.8 29.79 0.00 0.00
244
+ ATOM 244 C PTH 1 80.01 73.8 26.79 0.00 0.00
245
+ ATOM 245 C PTH 1 80.01 73.8 27.79 0.00 0.00
246
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247
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248
+ ATOM 248 C PTH 1 80.01 74.8 26.79 0.00 0.00
249
+ ATOM 249 C PTH 1 80.01 74.8 27.79 0.00 0.00
250
+ ATOM 250 C PTH 1 80.01 74.8 28.79 0.00 0.00
251
+ ATOM 251 C PTH 1 80.01 74.8 29.79 0.00 0.00
252
+ ATOM 252 C PTH 1 81.01 71.8 26.79 0.00 0.00
253
+ ATOM 253 C PTH 1 81.01 71.8 27.79 0.00 0.00
254
+ ATOM 254 C PTH 1 81.01 71.8 28.79 0.00 0.00
data/files/A003X/pocket_02.pdb ADDED
@@ -0,0 +1,220 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 66.01 80.8 34.79 0.00 0.00
2
+ ATOM 2 C PTH 1 66.01 80.8 35.79 0.00 0.00
3
+ ATOM 3 C PTH 1 66.01 80.8 36.79 0.00 0.00
4
+ ATOM 4 C PTH 1 66.01 81.8 33.79 0.00 0.00
5
+ ATOM 5 C PTH 1 66.01 82.8 33.79 0.00 0.00
6
+ ATOM 6 C PTH 1 67.01 78.8 33.79 0.00 0.00
7
+ ATOM 7 C PTH 1 67.01 78.8 34.79 0.00 0.00
8
+ ATOM 8 C PTH 1 67.01 78.8 35.79 0.00 0.00
9
+ ATOM 9 C PTH 1 67.01 78.8 36.79 0.00 0.00
10
+ ATOM 10 C PTH 1 67.01 78.8 37.79 0.00 0.00
11
+ ATOM 11 C PTH 1 67.01 79.8 31.79 0.00 0.00
12
+ ATOM 12 C PTH 1 67.01 79.8 32.79 0.00 0.00
13
+ ATOM 13 C PTH 1 67.01 79.8 33.79 0.00 0.00
14
+ ATOM 14 C PTH 1 67.01 79.8 34.79 0.00 0.00
15
+ ATOM 15 C PTH 1 67.01 79.8 35.79 0.00 0.00
16
+ ATOM 16 C PTH 1 67.01 79.8 36.79 0.00 0.00
17
+ ATOM 17 C PTH 1 67.01 79.8 37.79 0.00 0.00
18
+ ATOM 18 C PTH 1 67.01 80.8 30.79 0.00 0.00
19
+ ATOM 19 C PTH 1 67.01 80.8 31.79 0.00 0.00
20
+ ATOM 20 C PTH 1 67.01 80.8 32.79 0.00 0.00
21
+ ATOM 21 C PTH 1 67.01 80.8 33.79 0.00 0.00
22
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23
+ ATOM 23 C PTH 1 67.01 80.8 35.79 0.00 0.00
24
+ ATOM 24 C PTH 1 67.01 80.8 36.79 0.00 0.00
25
+ ATOM 25 C PTH 1 67.01 80.8 37.79 0.00 0.00
26
+ ATOM 26 C PTH 1 67.01 81.8 30.79 0.00 0.00
27
+ ATOM 27 C PTH 1 67.01 81.8 31.79 0.00 0.00
28
+ ATOM 28 C PTH 1 67.01 81.8 32.79 0.00 0.00
29
+ ATOM 29 C PTH 1 67.01 81.8 33.79 0.00 0.00
30
+ ATOM 30 C PTH 1 67.01 81.8 34.79 0.00 0.00
31
+ ATOM 31 C PTH 1 67.01 81.8 35.79 0.00 0.00
32
+ ATOM 32 C PTH 1 67.01 81.8 36.79 0.00 0.00
33
+ ATOM 33 C PTH 1 67.01 81.8 37.79 0.00 0.00
34
+ ATOM 34 C PTH 1 67.01 82.8 30.79 0.00 0.00
35
+ ATOM 35 C PTH 1 67.01 82.8 31.79 0.00 0.00
36
+ ATOM 36 C PTH 1 67.01 82.8 32.79 0.00 0.00
37
+ ATOM 37 C PTH 1 67.01 82.8 33.79 0.00 0.00
38
+ ATOM 38 C PTH 1 67.01 82.8 34.79 0.00 0.00
39
+ ATOM 39 C PTH 1 67.01 82.8 35.79 0.00 0.00
40
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41
+ ATOM 41 C PTH 1 67.01 83.8 30.79 0.00 0.00
42
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43
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44
+ ATOM 44 C PTH 1 67.01 83.8 33.79 0.00 0.00
45
+ ATOM 45 C PTH 1 67.01 83.8 34.79 0.00 0.00
46
+ ATOM 46 C PTH 1 67.01 83.8 35.79 0.00 0.00
47
+ ATOM 47 C PTH 1 68.01 77.8 32.79 0.00 0.00
48
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49
+ ATOM 49 C PTH 1 68.01 77.8 34.79 0.00 0.00
50
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51
+ ATOM 51 C PTH 1 68.01 77.8 36.79 0.00 0.00
52
+ ATOM 52 C PTH 1 68.01 78.8 30.79 0.00 0.00
53
+ ATOM 53 C PTH 1 68.01 78.8 31.79 0.00 0.00
54
+ ATOM 54 C PTH 1 68.01 78.8 32.79 0.00 0.00
55
+ ATOM 55 C PTH 1 68.01 78.8 33.79 0.00 0.00
56
+ ATOM 56 C PTH 1 68.01 78.8 34.79 0.00 0.00
57
+ ATOM 57 C PTH 1 68.01 78.8 35.79 0.00 0.00
58
+ ATOM 58 C PTH 1 68.01 78.8 36.79 0.00 0.00
59
+ ATOM 59 C PTH 1 68.01 78.8 37.79 0.00 0.00
60
+ ATOM 60 C PTH 1 68.01 79.8 30.79 0.00 0.00
61
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62
+ ATOM 62 C PTH 1 68.01 79.8 32.79 0.00 0.00
63
+ ATOM 63 C PTH 1 68.01 79.8 33.79 0.00 0.00
64
+ ATOM 64 C PTH 1 68.01 79.8 34.79 0.00 0.00
65
+ ATOM 65 C PTH 1 68.01 79.8 35.79 0.00 0.00
66
+ ATOM 66 C PTH 1 68.01 79.8 36.79 0.00 0.00
67
+ ATOM 67 C PTH 1 68.01 79.8 37.79 0.00 0.00
68
+ ATOM 68 C PTH 1 68.01 80.8 30.79 0.00 0.00
69
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70
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71
+ ATOM 71 C PTH 1 68.01 80.8 33.79 0.00 0.00
72
+ ATOM 72 C PTH 1 68.01 80.8 34.79 0.00 0.00
73
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74
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75
+ ATOM 75 C PTH 1 68.01 80.8 37.79 0.00 0.00
76
+ ATOM 76 C PTH 1 68.01 81.8 30.79 0.00 0.00
77
+ ATOM 77 C PTH 1 68.01 81.8 31.79 0.00 0.00
78
+ ATOM 78 C PTH 1 68.01 81.8 32.79 0.00 0.00
79
+ ATOM 79 C PTH 1 68.01 81.8 33.79 0.00 0.00
80
+ ATOM 80 C PTH 1 68.01 81.8 34.79 0.00 0.00
81
+ ATOM 81 C PTH 1 68.01 81.8 35.79 0.00 0.00
82
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83
+ ATOM 83 C PTH 1 68.01 81.8 37.79 0.00 0.00
84
+ ATOM 84 C PTH 1 68.01 82.8 30.79 0.00 0.00
85
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86
+ ATOM 86 C PTH 1 68.01 82.8 32.79 0.00 0.00
87
+ ATOM 87 C PTH 1 68.01 82.8 33.79 0.00 0.00
88
+ ATOM 88 C PTH 1 68.01 82.8 34.79 0.00 0.00
89
+ ATOM 89 C PTH 1 68.01 82.8 35.79 0.00 0.00
90
+ ATOM 90 C PTH 1 68.01 82.8 36.79 0.00 0.00
91
+ ATOM 91 C PTH 1 68.01 82.8 37.79 0.00 0.00
92
+ ATOM 92 C PTH 1 68.01 83.8 30.79 0.00 0.00
93
+ ATOM 93 C PTH 1 68.01 83.8 31.79 0.00 0.00
94
+ ATOM 94 C PTH 1 68.01 83.8 32.79 0.00 0.00
95
+ ATOM 95 C PTH 1 68.01 83.8 33.79 0.00 0.00
96
+ ATOM 96 C PTH 1 68.01 83.8 34.79 0.00 0.00
97
+ ATOM 97 C PTH 1 68.01 83.8 35.79 0.00 0.00
98
+ ATOM 98 C PTH 1 68.01 83.8 36.79 0.00 0.00
99
+ ATOM 99 C PTH 1 69.01 77.8 31.79 0.00 0.00
100
+ ATOM 100 C PTH 1 69.01 77.8 32.79 0.00 0.00
101
+ ATOM 101 C PTH 1 69.01 77.8 33.79 0.00 0.00
102
+ ATOM 102 C PTH 1 69.01 77.8 34.79 0.00 0.00
103
+ ATOM 103 C PTH 1 69.01 77.8 35.79 0.00 0.00
104
+ ATOM 104 C PTH 1 69.01 77.8 36.79 0.00 0.00
105
+ ATOM 105 C PTH 1 69.01 78.8 30.79 0.00 0.00
106
+ ATOM 106 C PTH 1 69.01 78.8 31.79 0.00 0.00
107
+ ATOM 107 C PTH 1 69.01 78.8 32.79 0.00 0.00
108
+ ATOM 108 C PTH 1 69.01 78.8 33.79 0.00 0.00
109
+ ATOM 109 C PTH 1 69.01 78.8 34.79 0.00 0.00
110
+ ATOM 110 C PTH 1 69.01 78.8 35.79 0.00 0.00
111
+ ATOM 111 C PTH 1 69.01 78.8 36.79 0.00 0.00
112
+ ATOM 112 C PTH 1 69.01 78.8 37.79 0.00 0.00
113
+ ATOM 113 C PTH 1 69.01 79.8 30.79 0.00 0.00
114
+ ATOM 114 C PTH 1 69.01 79.8 31.79 0.00 0.00
115
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116
+ ATOM 116 C PTH 1 69.01 79.8 33.79 0.00 0.00
117
+ ATOM 117 C PTH 1 69.01 79.8 34.79 0.00 0.00
118
+ ATOM 118 C PTH 1 69.01 79.8 35.79 0.00 0.00
119
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120
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121
+ ATOM 121 C PTH 1 69.01 80.8 30.79 0.00 0.00
122
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123
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124
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125
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126
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127
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128
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129
+ ATOM 129 C PTH 1 69.01 81.8 30.79 0.00 0.00
130
+ ATOM 130 C PTH 1 69.01 81.8 31.79 0.00 0.00
131
+ ATOM 131 C PTH 1 69.01 81.8 32.79 0.00 0.00
132
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133
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134
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135
+ ATOM 135 C PTH 1 69.01 81.8 36.79 0.00 0.00
136
+ ATOM 136 C PTH 1 69.01 81.8 37.79 0.00 0.00
137
+ ATOM 137 C PTH 1 69.01 82.8 30.79 0.00 0.00
138
+ ATOM 138 C PTH 1 69.01 82.8 31.79 0.00 0.00
139
+ ATOM 139 C PTH 1 69.01 82.8 32.79 0.00 0.00
140
+ ATOM 140 C PTH 1 69.01 82.8 33.79 0.00 0.00
141
+ ATOM 141 C PTH 1 69.01 82.8 34.79 0.00 0.00
142
+ ATOM 142 C PTH 1 69.01 82.8 35.79 0.00 0.00
143
+ ATOM 143 C PTH 1 69.01 82.8 36.79 0.00 0.00
144
+ ATOM 144 C PTH 1 69.01 82.8 37.79 0.00 0.00
145
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146
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147
+ ATOM 147 C PTH 1 69.01 83.8 33.79 0.00 0.00
148
+ ATOM 148 C PTH 1 69.01 83.8 34.79 0.00 0.00
149
+ ATOM 149 C PTH 1 69.01 83.8 35.79 0.00 0.00
150
+ ATOM 150 C PTH 1 69.01 83.8 36.79 0.00 0.00
151
+ ATOM 151 C PTH 1 70.01 76.8 31.79 0.00 0.00
152
+ ATOM 152 C PTH 1 70.01 77.8 30.79 0.00 0.00
153
+ ATOM 153 C PTH 1 70.01 77.8 31.79 0.00 0.00
154
+ ATOM 154 C PTH 1 70.01 77.8 32.79 0.00 0.00
155
+ ATOM 155 C PTH 1 70.01 77.8 33.79 0.00 0.00
156
+ ATOM 156 C PTH 1 70.01 77.8 34.79 0.00 0.00
157
+ ATOM 157 C PTH 1 70.01 77.8 35.79 0.00 0.00
158
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159
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220
+ ATOM 220 C PTH 1 71.01 81.8 34.79 0.00 0.00
data/files/A003X/pocket_03.pdb ADDED
@@ -0,0 +1,141 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 83.01 73.8 27.79 0.00 0.00
2
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+ ATOM 141 C PTH 1 90.01 79.8 33.79 0.00 0.00
data/files/A003X/pocket_04.pdb ADDED
@@ -0,0 +1,95 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 75.01 92.8 35.79 0.00 0.00
2
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+ ATOM 3 C PTH 1 76.01 91.8 34.79 0.00 0.00
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data/files/A003X/pocket_06.pdb ADDED
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data/files/A003X/structure.pdb ADDED
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data/files/A0040/pocket_02.pdb ADDED
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+ ATOM 125 C PTH 1 81.49 86.85 28.96 0.00 0.00
126
+ ATOM 126 C PTH 1 81.49 86.85 29.96 0.00 0.00
127
+ ATOM 127 C PTH 1 81.49 87.85 21.96 0.00 0.00
128
+ ATOM 128 C PTH 1 81.49 87.85 22.96 0.00 0.00
129
+ ATOM 129 C PTH 1 81.49 87.85 23.96 0.00 0.00
130
+ ATOM 130 C PTH 1 81.49 87.85 24.96 0.00 0.00
131
+ ATOM 131 C PTH 1 81.49 87.85 25.96 0.00 0.00
132
+ ATOM 132 C PTH 1 81.49 87.85 26.96 0.00 0.00
133
+ ATOM 133 C PTH 1 81.49 87.85 27.96 0.00 0.00
134
+ ATOM 134 C PTH 1 81.49 87.85 28.96 0.00 0.00
135
+ ATOM 135 C PTH 1 81.49 88.85 21.96 0.00 0.00
136
+ ATOM 136 C PTH 1 81.49 88.85 22.96 0.00 0.00
137
+ ATOM 137 C PTH 1 81.49 88.85 23.96 0.00 0.00
138
+ ATOM 138 C PTH 1 81.49 88.85 24.96 0.00 0.00
139
+ ATOM 139 C PTH 1 81.49 89.85 21.96 0.00 0.00
140
+ ATOM 140 C PTH 1 81.49 89.85 22.96 0.00 0.00
141
+ ATOM 141 C PTH 1 81.49 89.85 23.96 0.00 0.00
142
+ ATOM 142 C PTH 1 82.49 79.85 22.96 0.00 0.00
143
+ ATOM 143 C PTH 1 82.49 79.85 23.96 0.00 0.00
144
+ ATOM 144 C PTH 1 82.49 79.85 24.96 0.00 0.00
145
+ ATOM 145 C PTH 1 82.49 80.85 22.96 0.00 0.00
146
+ ATOM 146 C PTH 1 82.49 80.85 23.96 0.00 0.00
147
+ ATOM 147 C PTH 1 82.49 80.85 24.96 0.00 0.00
148
+ ATOM 148 C PTH 1 82.49 80.85 25.96 0.00 0.00
149
+ ATOM 149 C PTH 1 82.49 81.85 22.96 0.00 0.00
150
+ ATOM 150 C PTH 1 82.49 81.85 23.96 0.00 0.00
151
+ ATOM 151 C PTH 1 82.49 81.85 24.96 0.00 0.00
152
+ ATOM 152 C PTH 1 82.49 81.85 25.96 0.00 0.00
153
+ ATOM 153 C PTH 1 82.49 81.85 26.96 0.00 0.00
154
+ ATOM 154 C PTH 1 82.49 82.85 22.96 0.00 0.00
155
+ ATOM 155 C PTH 1 82.49 82.85 23.96 0.00 0.00
156
+ ATOM 156 C PTH 1 82.49 82.85 24.96 0.00 0.00
157
+ ATOM 157 C PTH 1 82.49 82.85 25.96 0.00 0.00
158
+ ATOM 158 C PTH 1 82.49 82.85 26.96 0.00 0.00
159
+ ATOM 159 C PTH 1 82.49 82.85 27.96 0.00 0.00
160
+ ATOM 160 C PTH 1 82.49 83.85 22.96 0.00 0.00
161
+ ATOM 161 C PTH 1 82.49 83.85 23.96 0.00 0.00
162
+ ATOM 162 C PTH 1 82.49 83.85 24.96 0.00 0.00
163
+ ATOM 163 C PTH 1 82.49 83.85 25.96 0.00 0.00
164
+ ATOM 164 C PTH 1 82.49 83.85 26.96 0.00 0.00
165
+ ATOM 165 C PTH 1 82.49 83.85 27.96 0.00 0.00
166
+ ATOM 166 C PTH 1 82.49 83.85 28.96 0.00 0.00
167
+ ATOM 167 C PTH 1 82.49 84.85 22.96 0.00 0.00
168
+ ATOM 168 C PTH 1 82.49 84.85 23.96 0.00 0.00
169
+ ATOM 169 C PTH 1 82.49 84.85 24.96 0.00 0.00
170
+ ATOM 170 C PTH 1 82.49 84.85 25.96 0.00 0.00
171
+ ATOM 171 C PTH 1 82.49 84.85 26.96 0.00 0.00
172
+ ATOM 172 C PTH 1 82.49 84.85 27.96 0.00 0.00
173
+ ATOM 173 C PTH 1 82.49 84.85 28.96 0.00 0.00
174
+ ATOM 174 C PTH 1 82.49 85.85 22.96 0.00 0.00
175
+ ATOM 175 C PTH 1 82.49 85.85 23.96 0.00 0.00
176
+ ATOM 176 C PTH 1 82.49 85.85 24.96 0.00 0.00
177
+ ATOM 177 C PTH 1 82.49 85.85 25.96 0.00 0.00
178
+ ATOM 178 C PTH 1 82.49 85.85 26.96 0.00 0.00
179
+ ATOM 179 C PTH 1 82.49 85.85 27.96 0.00 0.00
180
+ ATOM 180 C PTH 1 82.49 85.85 28.96 0.00 0.00
181
+ ATOM 181 C PTH 1 82.49 85.85 29.96 0.00 0.00
182
+ ATOM 182 C PTH 1 82.49 86.85 21.96 0.00 0.00
183
+ ATOM 183 C PTH 1 82.49 86.85 22.96 0.00 0.00
184
+ ATOM 184 C PTH 1 82.49 86.85 23.96 0.00 0.00
185
+ ATOM 185 C PTH 1 82.49 86.85 24.96 0.00 0.00
186
+ ATOM 186 C PTH 1 82.49 86.85 25.96 0.00 0.00
187
+ ATOM 187 C PTH 1 82.49 86.85 26.96 0.00 0.00
188
+ ATOM 188 C PTH 1 82.49 86.85 27.96 0.00 0.00
189
+ ATOM 189 C PTH 1 82.49 86.85 28.96 0.00 0.00
190
+ ATOM 190 C PTH 1 82.49 86.85 29.96 0.00 0.00
191
+ ATOM 191 C PTH 1 82.49 87.85 21.96 0.00 0.00
192
+ ATOM 192 C PTH 1 82.49 87.85 22.96 0.00 0.00
193
+ ATOM 193 C PTH 1 82.49 87.85 23.96 0.00 0.00
194
+ ATOM 194 C PTH 1 82.49 87.85 24.96 0.00 0.00
195
+ ATOM 195 C PTH 1 82.49 87.85 25.96 0.00 0.00
196
+ ATOM 196 C PTH 1 82.49 87.85 26.96 0.00 0.00
197
+ ATOM 197 C PTH 1 82.49 87.85 27.96 0.00 0.00
198
+ ATOM 198 C PTH 1 82.49 87.85 28.96 0.00 0.00
199
+ ATOM 199 C PTH 1 82.49 87.85 29.96 0.00 0.00
200
+ ATOM 200 C PTH 1 82.49 88.85 21.96 0.00 0.00
201
+ ATOM 201 C PTH 1 82.49 88.85 22.96 0.00 0.00
202
+ ATOM 202 C PTH 1 82.49 88.85 23.96 0.00 0.00
203
+ ATOM 203 C PTH 1 82.49 88.85 24.96 0.00 0.00
204
+ ATOM 204 C PTH 1 82.49 88.85 25.96 0.00 0.00
205
+ ATOM 205 C PTH 1 82.49 88.85 27.96 0.00 0.00
206
+ ATOM 206 C PTH 1 82.49 89.85 21.96 0.00 0.00
207
+ ATOM 207 C PTH 1 82.49 89.85 22.96 0.00 0.00
208
+ ATOM 208 C PTH 1 82.49 89.85 23.96 0.00 0.00
209
+ ATOM 209 C PTH 1 83.49 80.85 22.96 0.00 0.00
210
+ ATOM 210 C PTH 1 83.49 80.85 23.96 0.00 0.00
211
+ ATOM 211 C PTH 1 83.49 80.85 24.96 0.00 0.00
212
+ ATOM 212 C PTH 1 83.49 80.85 25.96 0.00 0.00
213
+ ATOM 213 C PTH 1 83.49 81.85 22.96 0.00 0.00
214
+ ATOM 214 C PTH 1 83.49 81.85 23.96 0.00 0.00
215
+ ATOM 215 C PTH 1 83.49 81.85 24.96 0.00 0.00
216
+ ATOM 216 C PTH 1 83.49 81.85 25.96 0.00 0.00
217
+ ATOM 217 C PTH 1 83.49 81.85 26.96 0.00 0.00
218
+ ATOM 218 C PTH 1 83.49 82.85 22.96 0.00 0.00
219
+ ATOM 219 C PTH 1 83.49 82.85 23.96 0.00 0.00
220
+ ATOM 220 C PTH 1 83.49 82.85 24.96 0.00 0.00
221
+ ATOM 221 C PTH 1 83.49 82.85 25.96 0.00 0.00
222
+ ATOM 222 C PTH 1 83.49 82.85 26.96 0.00 0.00
223
+ ATOM 223 C PTH 1 83.49 82.85 27.96 0.00 0.00
224
+ ATOM 224 C PTH 1 83.49 83.85 22.96 0.00 0.00
225
+ ATOM 225 C PTH 1 83.49 83.85 23.96 0.00 0.00
226
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227
+ ATOM 227 C PTH 1 83.49 83.85 25.96 0.00 0.00
228
+ ATOM 228 C PTH 1 83.49 83.85 26.96 0.00 0.00
229
+ ATOM 229 C PTH 1 83.49 83.85 27.96 0.00 0.00
230
+ ATOM 230 C PTH 1 83.49 84.85 22.96 0.00 0.00
231
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232
+ ATOM 232 C PTH 1 83.49 84.85 24.96 0.00 0.00
233
+ ATOM 233 C PTH 1 83.49 84.85 25.96 0.00 0.00
234
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235
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236
+ ATOM 236 C PTH 1 83.49 84.85 28.96 0.00 0.00
237
+ ATOM 237 C PTH 1 83.49 85.85 22.96 0.00 0.00
238
+ ATOM 238 C PTH 1 83.49 85.85 23.96 0.00 0.00
239
+ ATOM 239 C PTH 1 83.49 85.85 24.96 0.00 0.00
240
+ ATOM 240 C PTH 1 83.49 85.85 25.96 0.00 0.00
241
+ ATOM 241 C PTH 1 83.49 85.85 26.96 0.00 0.00
242
+ ATOM 242 C PTH 1 83.49 85.85 27.96 0.00 0.00
243
+ ATOM 243 C PTH 1 83.49 85.85 28.96 0.00 0.00
244
+ ATOM 244 C PTH 1 83.49 85.85 29.96 0.00 0.00
245
+ ATOM 245 C PTH 1 83.49 86.85 22.96 0.00 0.00
246
+ ATOM 246 C PTH 1 83.49 86.85 23.96 0.00 0.00
247
+ ATOM 247 C PTH 1 83.49 86.85 24.96 0.00 0.00
248
+ ATOM 248 C PTH 1 83.49 86.85 25.96 0.00 0.00
249
+ ATOM 249 C PTH 1 83.49 86.85 26.96 0.00 0.00
250
+ ATOM 250 C PTH 1 83.49 86.85 27.96 0.00 0.00
251
+ ATOM 251 C PTH 1 83.49 86.85 28.96 0.00 0.00
252
+ ATOM 252 C PTH 1 83.49 86.85 29.96 0.00 0.00
253
+ ATOM 253 C PTH 1 83.49 87.85 21.96 0.00 0.00
254
+ ATOM 254 C PTH 1 83.49 87.85 22.96 0.00 0.00
255
+ ATOM 255 C PTH 1 83.49 87.85 23.96 0.00 0.00
256
+ ATOM 256 C PTH 1 83.49 87.85 24.96 0.00 0.00
257
+ ATOM 257 C PTH 1 83.49 87.85 25.96 0.00 0.00
258
+ ATOM 258 C PTH 1 83.49 87.85 26.96 0.00 0.00
259
+ ATOM 259 C PTH 1 83.49 87.85 27.96 0.00 0.00
260
+ ATOM 260 C PTH 1 83.49 87.85 28.96 0.00 0.00
261
+ ATOM 261 C PTH 1 83.49 87.85 29.96 0.00 0.00
262
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263
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264
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265
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266
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267
+ ATOM 267 C PTH 1 83.49 88.85 26.96 0.00 0.00
268
+ ATOM 268 C PTH 1 83.49 88.85 27.96 0.00 0.00
269
+ ATOM 269 C PTH 1 83.49 88.85 28.96 0.00 0.00
270
+ ATOM 270 C PTH 1 83.49 88.85 29.96 0.00 0.00
271
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272
+ ATOM 272 C PTH 1 84.49 80.85 22.96 0.00 0.00
273
+ ATOM 273 C PTH 1 84.49 80.85 23.96 0.00 0.00
274
+ ATOM 274 C PTH 1 84.49 80.85 24.96 0.00 0.00
275
+ ATOM 275 C PTH 1 84.49 81.85 21.96 0.00 0.00
276
+ ATOM 276 C PTH 1 84.49 81.85 22.96 0.00 0.00
277
+ ATOM 277 C PTH 1 84.49 81.85 23.96 0.00 0.00
278
+ ATOM 278 C PTH 1 84.49 81.85 24.96 0.00 0.00
279
+ ATOM 279 C PTH 1 84.49 81.85 25.96 0.00 0.00
280
+ ATOM 280 C PTH 1 84.49 82.85 21.96 0.00 0.00
281
+ ATOM 281 C PTH 1 84.49 82.85 22.96 0.00 0.00
282
+ ATOM 282 C PTH 1 84.49 82.85 23.96 0.00 0.00
283
+ ATOM 283 C PTH 1 84.49 82.85 24.96 0.00 0.00
284
+ ATOM 284 C PTH 1 84.49 82.85 25.96 0.00 0.00
285
+ ATOM 285 C PTH 1 84.49 83.85 22.96 0.00 0.00
286
+ ATOM 286 C PTH 1 84.49 83.85 23.96 0.00 0.00
287
+ ATOM 287 C PTH 1 84.49 83.85 24.96 0.00 0.00
288
+ ATOM 288 C PTH 1 84.49 83.85 25.96 0.00 0.00
289
+ ATOM 289 C PTH 1 84.49 83.85 26.96 0.00 0.00
290
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291
+ ATOM 291 C PTH 1 84.49 84.85 22.96 0.00 0.00
292
+ ATOM 292 C PTH 1 84.49 84.85 23.96 0.00 0.00
293
+ ATOM 293 C PTH 1 84.49 84.85 24.96 0.00 0.00
294
+ ATOM 294 C PTH 1 84.49 84.85 25.96 0.00 0.00
295
+ ATOM 295 C PTH 1 84.49 84.85 26.96 0.00 0.00
296
+ ATOM 296 C PTH 1 84.49 84.85 27.96 0.00 0.00
297
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298
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299
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300
+ ATOM 300 C PTH 1 84.49 85.85 26.96 0.00 0.00
301
+ ATOM 301 C PTH 1 84.49 85.85 27.96 0.00 0.00
302
+ ATOM 302 C PTH 1 84.49 85.85 28.96 0.00 0.00
303
+ ATOM 303 C PTH 1 84.49 86.85 24.96 0.00 0.00
304
+ ATOM 304 C PTH 1 84.49 86.85 25.96 0.00 0.00
305
+ ATOM 305 C PTH 1 84.49 86.85 26.96 0.00 0.00
306
+ ATOM 306 C PTH 1 84.49 86.85 27.96 0.00 0.00
307
+ ATOM 307 C PTH 1 84.49 86.85 28.96 0.00 0.00
308
+ ATOM 308 C PTH 1 84.49 86.85 29.96 0.00 0.00
309
+ ATOM 309 C PTH 1 84.49 87.85 23.96 0.00 0.00
310
+ ATOM 310 C PTH 1 84.49 87.85 24.96 0.00 0.00
311
+ ATOM 311 C PTH 1 84.49 87.85 25.96 0.00 0.00
312
+ ATOM 312 C PTH 1 84.49 87.85 26.96 0.00 0.00
313
+ ATOM 313 C PTH 1 84.49 87.85 27.96 0.00 0.00
314
+ ATOM 314 C PTH 1 84.49 87.85 28.96 0.00 0.00
315
+ ATOM 315 C PTH 1 84.49 87.85 29.96 0.00 0.00
316
+ ATOM 316 C PTH 1 84.49 88.85 24.96 0.00 0.00
317
+ ATOM 317 C PTH 1 84.49 88.85 25.96 0.00 0.00
318
+ ATOM 318 C PTH 1 84.49 88.85 26.96 0.00 0.00
319
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320
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321
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322
+ ATOM 322 C PTH 1 85.49 80.85 22.96 0.00 0.00
323
+ ATOM 323 C PTH 1 85.49 80.85 23.96 0.00 0.00
324
+ ATOM 324 C PTH 1 85.49 81.85 21.96 0.00 0.00
325
+ ATOM 325 C PTH 1 85.49 81.85 22.96 0.00 0.00
326
+ ATOM 326 C PTH 1 85.49 81.85 23.96 0.00 0.00
327
+ ATOM 327 C PTH 1 85.49 82.85 22.96 0.00 0.00
328
+ ATOM 328 C PTH 1 85.49 82.85 23.96 0.00 0.00
329
+ ATOM 329 C PTH 1 85.49 83.85 23.96 0.00 0.00
330
+ ATOM 330 C PTH 1 85.49 84.85 25.96 0.00 0.00
331
+ ATOM 331 C PTH 1 85.49 84.85 26.96 0.00 0.00
332
+ ATOM 332 C PTH 1 85.49 84.85 27.96 0.00 0.00
333
+ ATOM 333 C PTH 1 85.49 85.85 25.96 0.00 0.00
334
+ ATOM 334 C PTH 1 85.49 85.85 26.96 0.00 0.00
335
+ ATOM 335 C PTH 1 85.49 85.85 27.96 0.00 0.00
336
+ ATOM 336 C PTH 1 85.49 86.85 25.96 0.00 0.00
337
+ ATOM 337 C PTH 1 85.49 86.85 26.96 0.00 0.00
338
+ ATOM 338 C PTH 1 85.49 86.85 27.96 0.00 0.00
339
+ ATOM 339 C PTH 1 85.49 87.85 26.96 0.00 0.00
340
+ ATOM 340 C PTH 1 85.49 87.85 27.96 0.00 0.00
341
+ ATOM 341 C PTH 1 85.49 87.85 28.96 0.00 0.00
342
+ ATOM 342 C PTH 1 85.49 88.85 26.96 0.00 0.00
343
+ ATOM 343 C PTH 1 85.49 88.85 27.96 0.00 0.00
344
+ ATOM 344 C PTH 1 85.49 88.85 28.96 0.00 0.00
345
+ ATOM 345 C PTH 1 85.49 88.85 29.96 0.00 0.00
data/files/A0040/pocket_03.pdb ADDED
@@ -0,0 +1,215 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 71.49 96.85 28.96 0.00 0.00
2
+ ATOM 2 C PTH 1 71.49 97.85 27.96 0.00 0.00
3
+ ATOM 3 C PTH 1 71.49 97.85 28.96 0.00 0.00
4
+ ATOM 4 C PTH 1 71.49 97.85 29.96 0.00 0.00
5
+ ATOM 5 C PTH 1 71.49 98.85 29.96 0.00 0.00
6
+ ATOM 6 C PTH 1 71.49 99.85 29.96 0.00 0.00
7
+ ATOM 7 C PTH 1 72.49 96.85 27.96 0.00 0.00
8
+ ATOM 8 C PTH 1 72.49 96.85 28.96 0.00 0.00
9
+ ATOM 9 C PTH 1 72.49 96.85 29.96 0.00 0.00
10
+ ATOM 10 C PTH 1 72.49 97.85 27.96 0.00 0.00
11
+ ATOM 11 C PTH 1 72.49 97.85 28.96 0.00 0.00
12
+ ATOM 12 C PTH 1 72.49 97.85 29.96 0.00 0.00
13
+ ATOM 13 C PTH 1 72.49 97.85 30.96 0.00 0.00
14
+ ATOM 14 C PTH 1 72.49 98.85 27.96 0.00 0.00
15
+ ATOM 15 C PTH 1 72.49 98.85 28.96 0.00 0.00
16
+ ATOM 16 C PTH 1 72.49 98.85 29.96 0.00 0.00
17
+ ATOM 17 C PTH 1 72.49 98.85 30.96 0.00 0.00
18
+ ATOM 18 C PTH 1 72.49 99.85 27.96 0.00 0.00
19
+ ATOM 19 C PTH 1 72.49 99.85 28.96 0.00 0.00
20
+ ATOM 20 C PTH 1 72.49 99.85 29.96 0.00 0.00
21
+ ATOM 21 C PTH 1 72.49 99.85 30.96 0.00 0.00
22
+ ATOM 22 C PTH 1 72.49 100.85 27.96 0.00 0.00
23
+ ATOM 23 C PTH 1 72.49 100.85 28.96 0.00 0.00
24
+ ATOM 24 C PTH 1 72.49 100.85 29.96 0.00 0.00
25
+ ATOM 25 C PTH 1 72.49 100.85 30.96 0.00 0.00
26
+ ATOM 26 C PTH 1 72.49 100.85 31.96 0.00 0.00
27
+ ATOM 27 C PTH 1 72.49 101.85 29.96 0.00 0.00
28
+ ATOM 28 C PTH 1 73.49 96.85 27.96 0.00 0.00
29
+ ATOM 29 C PTH 1 73.49 96.85 28.96 0.00 0.00
30
+ ATOM 30 C PTH 1 73.49 96.85 29.96 0.00 0.00
31
+ ATOM 31 C PTH 1 73.49 96.85 30.96 0.00 0.00
32
+ ATOM 32 C PTH 1 73.49 97.85 26.96 0.00 0.00
33
+ ATOM 33 C PTH 1 73.49 97.85 27.96 0.00 0.00
34
+ ATOM 34 C PTH 1 73.49 97.85 28.96 0.00 0.00
35
+ ATOM 35 C PTH 1 73.49 97.85 29.96 0.00 0.00
36
+ ATOM 36 C PTH 1 73.49 97.85 30.96 0.00 0.00
37
+ ATOM 37 C PTH 1 73.49 98.85 26.96 0.00 0.00
38
+ ATOM 38 C PTH 1 73.49 98.85 27.96 0.00 0.00
39
+ ATOM 39 C PTH 1 73.49 98.85 28.96 0.00 0.00
40
+ ATOM 40 C PTH 1 73.49 98.85 29.96 0.00 0.00
41
+ ATOM 41 C PTH 1 73.49 98.85 30.96 0.00 0.00
42
+ ATOM 42 C PTH 1 73.49 99.85 26.96 0.00 0.00
43
+ ATOM 43 C PTH 1 73.49 99.85 27.96 0.00 0.00
44
+ ATOM 44 C PTH 1 73.49 99.85 28.96 0.00 0.00
45
+ ATOM 45 C PTH 1 73.49 99.85 29.96 0.00 0.00
46
+ ATOM 46 C PTH 1 73.49 99.85 30.96 0.00 0.00
47
+ ATOM 47 C PTH 1 73.49 100.85 26.96 0.00 0.00
48
+ ATOM 48 C PTH 1 73.49 100.85 27.96 0.00 0.00
49
+ ATOM 49 C PTH 1 73.49 100.85 28.96 0.00 0.00
50
+ ATOM 50 C PTH 1 73.49 100.85 29.96 0.00 0.00
51
+ ATOM 51 C PTH 1 73.49 100.85 30.96 0.00 0.00
52
+ ATOM 52 C PTH 1 73.49 100.85 31.96 0.00 0.00
53
+ ATOM 53 C PTH 1 73.49 101.85 28.96 0.00 0.00
54
+ ATOM 54 C PTH 1 73.49 101.85 29.96 0.00 0.00
55
+ ATOM 55 C PTH 1 73.49 101.85 30.96 0.00 0.00
56
+ ATOM 56 C PTH 1 74.49 96.85 28.96 0.00 0.00
57
+ ATOM 57 C PTH 1 74.49 96.85 29.96 0.00 0.00
58
+ ATOM 58 C PTH 1 74.49 97.85 26.96 0.00 0.00
59
+ ATOM 59 C PTH 1 74.49 97.85 27.96 0.00 0.00
60
+ ATOM 60 C PTH 1 74.49 97.85 28.96 0.00 0.00
61
+ ATOM 61 C PTH 1 74.49 97.85 29.96 0.00 0.00
62
+ ATOM 62 C PTH 1 74.49 97.85 30.96 0.00 0.00
63
+ ATOM 63 C PTH 1 74.49 98.85 26.96 0.00 0.00
64
+ ATOM 64 C PTH 1 74.49 98.85 27.96 0.00 0.00
65
+ ATOM 65 C PTH 1 74.49 98.85 28.96 0.00 0.00
66
+ ATOM 66 C PTH 1 74.49 98.85 29.96 0.00 0.00
67
+ ATOM 67 C PTH 1 74.49 98.85 30.96 0.00 0.00
68
+ ATOM 68 C PTH 1 74.49 98.85 31.96 0.00 0.00
69
+ ATOM 69 C PTH 1 74.49 99.85 26.96 0.00 0.00
70
+ ATOM 70 C PTH 1 74.49 99.85 27.96 0.00 0.00
71
+ ATOM 71 C PTH 1 74.49 99.85 28.96 0.00 0.00
72
+ ATOM 72 C PTH 1 74.49 99.85 29.96 0.00 0.00
73
+ ATOM 73 C PTH 1 74.49 99.85 30.96 0.00 0.00
74
+ ATOM 74 C PTH 1 74.49 99.85 31.96 0.00 0.00
75
+ ATOM 75 C PTH 1 74.49 100.85 26.96 0.00 0.00
76
+ ATOM 76 C PTH 1 74.49 100.85 27.96 0.00 0.00
77
+ ATOM 77 C PTH 1 74.49 100.85 28.96 0.00 0.00
78
+ ATOM 78 C PTH 1 74.49 100.85 29.96 0.00 0.00
79
+ ATOM 79 C PTH 1 74.49 100.85 30.96 0.00 0.00
80
+ ATOM 80 C PTH 1 74.49 100.85 31.96 0.00 0.00
81
+ ATOM 81 C PTH 1 74.49 101.85 28.96 0.00 0.00
82
+ ATOM 82 C PTH 1 74.49 101.85 29.96 0.00 0.00
83
+ ATOM 83 C PTH 1 74.49 101.85 30.96 0.00 0.00
84
+ ATOM 84 C PTH 1 74.49 101.85 31.96 0.00 0.00
85
+ ATOM 85 C PTH 1 74.49 102.85 29.96 0.00 0.00
86
+ ATOM 86 C PTH 1 74.49 102.85 30.96 0.00 0.00
87
+ ATOM 87 C PTH 1 75.49 97.85 27.96 0.00 0.00
88
+ ATOM 88 C PTH 1 75.49 97.85 28.96 0.00 0.00
89
+ ATOM 89 C PTH 1 75.49 97.85 29.96 0.00 0.00
90
+ ATOM 90 C PTH 1 75.49 97.85 30.96 0.00 0.00
91
+ ATOM 91 C PTH 1 75.49 98.85 26.96 0.00 0.00
92
+ ATOM 92 C PTH 1 75.49 98.85 27.96 0.00 0.00
93
+ ATOM 93 C PTH 1 75.49 98.85 28.96 0.00 0.00
94
+ ATOM 94 C PTH 1 75.49 98.85 29.96 0.00 0.00
95
+ ATOM 95 C PTH 1 75.49 98.85 30.96 0.00 0.00
96
+ ATOM 96 C PTH 1 75.49 98.85 31.96 0.00 0.00
97
+ ATOM 97 C PTH 1 75.49 99.85 26.96 0.00 0.00
98
+ ATOM 98 C PTH 1 75.49 99.85 27.96 0.00 0.00
99
+ ATOM 99 C PTH 1 75.49 99.85 28.96 0.00 0.00
100
+ ATOM 100 C PTH 1 75.49 99.85 29.96 0.00 0.00
101
+ ATOM 101 C PTH 1 75.49 99.85 30.96 0.00 0.00
102
+ ATOM 102 C PTH 1 75.49 99.85 31.96 0.00 0.00
103
+ ATOM 103 C PTH 1 75.49 100.85 26.96 0.00 0.00
104
+ ATOM 104 C PTH 1 75.49 100.85 27.96 0.00 0.00
105
+ ATOM 105 C PTH 1 75.49 100.85 28.96 0.00 0.00
106
+ ATOM 106 C PTH 1 75.49 100.85 29.96 0.00 0.00
107
+ ATOM 107 C PTH 1 75.49 100.85 30.96 0.00 0.00
108
+ ATOM 108 C PTH 1 75.49 100.85 31.96 0.00 0.00
109
+ ATOM 109 C PTH 1 75.49 101.85 27.96 0.00 0.00
110
+ ATOM 110 C PTH 1 75.49 101.85 28.96 0.00 0.00
111
+ ATOM 111 C PTH 1 75.49 101.85 29.96 0.00 0.00
112
+ ATOM 112 C PTH 1 75.49 101.85 30.96 0.00 0.00
113
+ ATOM 113 C PTH 1 75.49 101.85 31.96 0.00 0.00
114
+ ATOM 114 C PTH 1 75.49 102.85 28.96 0.00 0.00
115
+ ATOM 115 C PTH 1 75.49 102.85 29.96 0.00 0.00
116
+ ATOM 116 C PTH 1 75.49 102.85 30.96 0.00 0.00
117
+ ATOM 117 C PTH 1 75.49 102.85 31.96 0.00 0.00
118
+ ATOM 118 C PTH 1 75.49 103.85 29.96 0.00 0.00
119
+ ATOM 119 C PTH 1 75.49 103.85 30.96 0.00 0.00
120
+ ATOM 120 C PTH 1 76.49 98.85 28.96 0.00 0.00
121
+ ATOM 121 C PTH 1 76.49 98.85 29.96 0.00 0.00
122
+ ATOM 122 C PTH 1 76.49 98.85 30.96 0.00 0.00
123
+ ATOM 123 C PTH 1 76.49 98.85 31.96 0.00 0.00
124
+ ATOM 124 C PTH 1 76.49 99.85 27.96 0.00 0.00
125
+ ATOM 125 C PTH 1 76.49 99.85 28.96 0.00 0.00
126
+ ATOM 126 C PTH 1 76.49 99.85 29.96 0.00 0.00
127
+ ATOM 127 C PTH 1 76.49 99.85 30.96 0.00 0.00
128
+ ATOM 128 C PTH 1 76.49 99.85 31.96 0.00 0.00
129
+ ATOM 129 C PTH 1 76.49 99.85 32.96 0.00 0.00
130
+ ATOM 130 C PTH 1 76.49 100.85 25.96 0.00 0.00
131
+ ATOM 131 C PTH 1 76.49 100.85 27.96 0.00 0.00
132
+ ATOM 132 C PTH 1 76.49 100.85 28.96 0.00 0.00
133
+ ATOM 133 C PTH 1 76.49 100.85 29.96 0.00 0.00
134
+ ATOM 134 C PTH 1 76.49 100.85 30.96 0.00 0.00
135
+ ATOM 135 C PTH 1 76.49 100.85 31.96 0.00 0.00
136
+ ATOM 136 C PTH 1 76.49 100.85 32.96 0.00 0.00
137
+ ATOM 137 C PTH 1 76.49 101.85 27.96 0.00 0.00
138
+ ATOM 138 C PTH 1 76.49 101.85 28.96 0.00 0.00
139
+ ATOM 139 C PTH 1 76.49 101.85 29.96 0.00 0.00
140
+ ATOM 140 C PTH 1 76.49 101.85 30.96 0.00 0.00
141
+ ATOM 141 C PTH 1 76.49 101.85 31.96 0.00 0.00
142
+ ATOM 142 C PTH 1 76.49 101.85 32.96 0.00 0.00
143
+ ATOM 143 C PTH 1 76.49 102.85 28.96 0.00 0.00
144
+ ATOM 144 C PTH 1 76.49 102.85 29.96 0.00 0.00
145
+ ATOM 145 C PTH 1 76.49 102.85 30.96 0.00 0.00
146
+ ATOM 146 C PTH 1 76.49 102.85 31.96 0.00 0.00
147
+ ATOM 147 C PTH 1 76.49 103.85 28.96 0.00 0.00
148
+ ATOM 148 C PTH 1 76.49 103.85 29.96 0.00 0.00
149
+ ATOM 149 C PTH 1 76.49 103.85 30.96 0.00 0.00
150
+ ATOM 150 C PTH 1 77.49 98.85 29.96 0.00 0.00
151
+ ATOM 151 C PTH 1 77.49 98.85 30.96 0.00 0.00
152
+ ATOM 152 C PTH 1 77.49 98.85 31.96 0.00 0.00
153
+ ATOM 153 C PTH 1 77.49 99.85 28.96 0.00 0.00
154
+ ATOM 154 C PTH 1 77.49 99.85 29.96 0.00 0.00
155
+ ATOM 155 C PTH 1 77.49 99.85 30.96 0.00 0.00
156
+ ATOM 156 C PTH 1 77.49 99.85 31.96 0.00 0.00
157
+ ATOM 157 C PTH 1 77.49 99.85 32.96 0.00 0.00
158
+ ATOM 158 C PTH 1 77.49 100.85 27.96 0.00 0.00
159
+ ATOM 159 C PTH 1 77.49 100.85 28.96 0.00 0.00
160
+ ATOM 160 C PTH 1 77.49 100.85 29.96 0.00 0.00
161
+ ATOM 161 C PTH 1 77.49 100.85 30.96 0.00 0.00
162
+ ATOM 162 C PTH 1 77.49 100.85 31.96 0.00 0.00
163
+ ATOM 163 C PTH 1 77.49 100.85 32.96 0.00 0.00
164
+ ATOM 164 C PTH 1 77.49 101.85 27.96 0.00 0.00
165
+ ATOM 165 C PTH 1 77.49 101.85 28.96 0.00 0.00
166
+ ATOM 166 C PTH 1 77.49 101.85 29.96 0.00 0.00
167
+ ATOM 167 C PTH 1 77.49 101.85 30.96 0.00 0.00
168
+ ATOM 168 C PTH 1 77.49 101.85 31.96 0.00 0.00
169
+ ATOM 169 C PTH 1 77.49 101.85 32.96 0.00 0.00
170
+ ATOM 170 C PTH 1 77.49 102.85 27.96 0.00 0.00
171
+ ATOM 171 C PTH 1 77.49 102.85 28.96 0.00 0.00
172
+ ATOM 172 C PTH 1 77.49 102.85 29.96 0.00 0.00
173
+ ATOM 173 C PTH 1 77.49 102.85 30.96 0.00 0.00
174
+ ATOM 174 C PTH 1 77.49 102.85 31.96 0.00 0.00
175
+ ATOM 175 C PTH 1 77.49 103.85 28.96 0.00 0.00
176
+ ATOM 176 C PTH 1 77.49 103.85 29.96 0.00 0.00
177
+ ATOM 177 C PTH 1 77.49 103.85 30.96 0.00 0.00
178
+ ATOM 178 C PTH 1 78.49 99.85 28.96 0.00 0.00
179
+ ATOM 179 C PTH 1 78.49 99.85 29.96 0.00 0.00
180
+ ATOM 180 C PTH 1 78.49 99.85 30.96 0.00 0.00
181
+ ATOM 181 C PTH 1 78.49 99.85 31.96 0.00 0.00
182
+ ATOM 182 C PTH 1 78.49 99.85 32.96 0.00 0.00
183
+ ATOM 183 C PTH 1 78.49 100.85 27.96 0.00 0.00
184
+ ATOM 184 C PTH 1 78.49 100.85 28.96 0.00 0.00
185
+ ATOM 185 C PTH 1 78.49 100.85 29.96 0.00 0.00
186
+ ATOM 186 C PTH 1 78.49 100.85 30.96 0.00 0.00
187
+ ATOM 187 C PTH 1 78.49 100.85 31.96 0.00 0.00
188
+ ATOM 188 C PTH 1 78.49 100.85 32.96 0.00 0.00
189
+ ATOM 189 C PTH 1 78.49 101.85 27.96 0.00 0.00
190
+ ATOM 190 C PTH 1 78.49 101.85 28.96 0.00 0.00
191
+ ATOM 191 C PTH 1 78.49 101.85 29.96 0.00 0.00
192
+ ATOM 192 C PTH 1 78.49 101.85 30.96 0.00 0.00
193
+ ATOM 193 C PTH 1 78.49 101.85 31.96 0.00 0.00
194
+ ATOM 194 C PTH 1 78.49 102.85 28.96 0.00 0.00
195
+ ATOM 195 C PTH 1 78.49 102.85 29.96 0.00 0.00
196
+ ATOM 196 C PTH 1 78.49 102.85 30.96 0.00 0.00
197
+ ATOM 197 C PTH 1 78.49 102.85 31.96 0.00 0.00
198
+ ATOM 198 C PTH 1 78.49 103.85 29.96 0.00 0.00
199
+ ATOM 199 C PTH 1 78.49 103.85 30.96 0.00 0.00
200
+ ATOM 200 C PTH 1 79.49 99.85 29.96 0.00 0.00
201
+ ATOM 201 C PTH 1 79.49 99.85 30.96 0.00 0.00
202
+ ATOM 202 C PTH 1 79.49 99.85 31.96 0.00 0.00
203
+ ATOM 203 C PTH 1 79.49 100.85 28.96 0.00 0.00
204
+ ATOM 204 C PTH 1 79.49 100.85 29.96 0.00 0.00
205
+ ATOM 205 C PTH 1 79.49 100.85 30.96 0.00 0.00
206
+ ATOM 206 C PTH 1 79.49 100.85 31.96 0.00 0.00
207
+ ATOM 207 C PTH 1 79.49 100.85 32.96 0.00 0.00
208
+ ATOM 208 C PTH 1 79.49 101.85 28.96 0.00 0.00
209
+ ATOM 209 C PTH 1 79.49 101.85 29.96 0.00 0.00
210
+ ATOM 210 C PTH 1 79.49 101.85 30.96 0.00 0.00
211
+ ATOM 211 C PTH 1 79.49 101.85 31.96 0.00 0.00
212
+ ATOM 212 C PTH 1 79.49 102.85 29.96 0.00 0.00
213
+ ATOM 213 C PTH 1 79.49 102.85 30.96 0.00 0.00
214
+ ATOM 214 C PTH 1 80.49 99.85 30.96 0.00 0.00
215
+ ATOM 215 C PTH 1 80.49 100.85 30.96 0.00 0.00
data/files/A0040/pocket_04.pdb ADDED
@@ -0,0 +1,210 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 57.49 80.85 38.96 0.00 0.00
2
+ ATOM 2 C PTH 1 57.49 80.85 39.96 0.00 0.00
3
+ ATOM 3 C PTH 1 57.49 80.85 40.96 0.00 0.00
4
+ ATOM 4 C PTH 1 57.49 81.85 38.96 0.00 0.00
5
+ ATOM 5 C PTH 1 57.49 81.85 39.96 0.00 0.00
6
+ ATOM 6 C PTH 1 57.49 81.85 40.96 0.00 0.00
7
+ ATOM 7 C PTH 1 57.49 82.85 38.96 0.00 0.00
8
+ ATOM 8 C PTH 1 57.49 82.85 39.96 0.00 0.00
9
+ ATOM 9 C PTH 1 57.49 82.85 40.96 0.00 0.00
10
+ ATOM 10 C PTH 1 57.49 82.85 41.96 0.00 0.00
11
+ ATOM 11 C PTH 1 57.49 83.85 38.96 0.00 0.00
12
+ ATOM 12 C PTH 1 57.49 83.85 39.96 0.00 0.00
13
+ ATOM 13 C PTH 1 57.49 83.85 40.96 0.00 0.00
14
+ ATOM 14 C PTH 1 57.49 83.85 41.96 0.00 0.00
15
+ ATOM 15 C PTH 1 57.49 84.85 39.96 0.00 0.00
16
+ ATOM 16 C PTH 1 57.49 84.85 40.96 0.00 0.00
17
+ ATOM 17 C PTH 1 57.49 84.85 41.96 0.00 0.00
18
+ ATOM 18 C PTH 1 57.49 85.85 39.96 0.00 0.00
19
+ ATOM 19 C PTH 1 57.49 85.85 40.96 0.00 0.00
20
+ ATOM 20 C PTH 1 57.49 85.85 41.96 0.00 0.00
21
+ ATOM 21 C PTH 1 58.49 78.85 39.96 0.00 0.00
22
+ ATOM 22 C PTH 1 58.49 79.85 37.96 0.00 0.00
23
+ ATOM 23 C PTH 1 58.49 79.85 38.96 0.00 0.00
24
+ ATOM 24 C PTH 1 58.49 79.85 39.96 0.00 0.00
25
+ ATOM 25 C PTH 1 58.49 79.85 40.96 0.00 0.00
26
+ ATOM 26 C PTH 1 58.49 80.85 37.96 0.00 0.00
27
+ ATOM 27 C PTH 1 58.49 80.85 38.96 0.00 0.00
28
+ ATOM 28 C PTH 1 58.49 80.85 39.96 0.00 0.00
29
+ ATOM 29 C PTH 1 58.49 80.85 40.96 0.00 0.00
30
+ ATOM 30 C PTH 1 58.49 80.85 41.96 0.00 0.00
31
+ ATOM 31 C PTH 1 58.49 81.85 37.96 0.00 0.00
32
+ ATOM 32 C PTH 1 58.49 81.85 38.96 0.00 0.00
33
+ ATOM 33 C PTH 1 58.49 81.85 39.96 0.00 0.00
34
+ ATOM 34 C PTH 1 58.49 81.85 40.96 0.00 0.00
35
+ ATOM 35 C PTH 1 58.49 81.85 41.96 0.00 0.00
36
+ ATOM 36 C PTH 1 58.49 82.85 37.96 0.00 0.00
37
+ ATOM 37 C PTH 1 58.49 82.85 38.96 0.00 0.00
38
+ ATOM 38 C PTH 1 58.49 82.85 39.96 0.00 0.00
39
+ ATOM 39 C PTH 1 58.49 82.85 40.96 0.00 0.00
40
+ ATOM 40 C PTH 1 58.49 82.85 41.96 0.00 0.00
41
+ ATOM 41 C PTH 1 58.49 83.85 37.96 0.00 0.00
42
+ ATOM 42 C PTH 1 58.49 83.85 38.96 0.00 0.00
43
+ ATOM 43 C PTH 1 58.49 83.85 39.96 0.00 0.00
44
+ ATOM 44 C PTH 1 58.49 83.85 40.96 0.00 0.00
45
+ ATOM 45 C PTH 1 58.49 83.85 41.96 0.00 0.00
46
+ ATOM 46 C PTH 1 58.49 84.85 38.96 0.00 0.00
47
+ ATOM 47 C PTH 1 58.49 84.85 39.96 0.00 0.00
48
+ ATOM 48 C PTH 1 58.49 84.85 40.96 0.00 0.00
49
+ ATOM 49 C PTH 1 58.49 84.85 41.96 0.00 0.00
50
+ ATOM 50 C PTH 1 58.49 85.85 39.96 0.00 0.00
51
+ ATOM 51 C PTH 1 58.49 85.85 40.96 0.00 0.00
52
+ ATOM 52 C PTH 1 58.49 85.85 41.96 0.00 0.00
53
+ ATOM 53 C PTH 1 59.49 77.85 38.96 0.00 0.00
54
+ ATOM 54 C PTH 1 59.49 77.85 39.96 0.00 0.00
55
+ ATOM 55 C PTH 1 59.49 77.85 40.96 0.00 0.00
56
+ ATOM 56 C PTH 1 59.49 77.85 41.96 0.00 0.00
57
+ ATOM 57 C PTH 1 59.49 78.85 37.96 0.00 0.00
58
+ ATOM 58 C PTH 1 59.49 78.85 38.96 0.00 0.00
59
+ ATOM 59 C PTH 1 59.49 78.85 39.96 0.00 0.00
60
+ ATOM 60 C PTH 1 59.49 78.85 40.96 0.00 0.00
61
+ ATOM 61 C PTH 1 59.49 78.85 41.96 0.00 0.00
62
+ ATOM 62 C PTH 1 59.49 79.85 37.96 0.00 0.00
63
+ ATOM 63 C PTH 1 59.49 79.85 38.96 0.00 0.00
64
+ ATOM 64 C PTH 1 59.49 79.85 39.96 0.00 0.00
65
+ ATOM 65 C PTH 1 59.49 79.85 40.96 0.00 0.00
66
+ ATOM 66 C PTH 1 59.49 79.85 41.96 0.00 0.00
67
+ ATOM 67 C PTH 1 59.49 80.85 37.96 0.00 0.00
68
+ ATOM 68 C PTH 1 59.49 80.85 38.96 0.00 0.00
69
+ ATOM 69 C PTH 1 59.49 80.85 39.96 0.00 0.00
70
+ ATOM 70 C PTH 1 59.49 80.85 40.96 0.00 0.00
71
+ ATOM 71 C PTH 1 59.49 80.85 41.96 0.00 0.00
72
+ ATOM 72 C PTH 1 59.49 81.85 37.96 0.00 0.00
73
+ ATOM 73 C PTH 1 59.49 81.85 38.96 0.00 0.00
74
+ ATOM 74 C PTH 1 59.49 81.85 39.96 0.00 0.00
75
+ ATOM 75 C PTH 1 59.49 81.85 40.96 0.00 0.00
76
+ ATOM 76 C PTH 1 59.49 81.85 41.96 0.00 0.00
77
+ ATOM 77 C PTH 1 59.49 82.85 37.96 0.00 0.00
78
+ ATOM 78 C PTH 1 59.49 82.85 38.96 0.00 0.00
79
+ ATOM 79 C PTH 1 59.49 82.85 39.96 0.00 0.00
80
+ ATOM 80 C PTH 1 59.49 82.85 40.96 0.00 0.00
81
+ ATOM 81 C PTH 1 59.49 82.85 41.96 0.00 0.00
82
+ ATOM 82 C PTH 1 59.49 83.85 37.96 0.00 0.00
83
+ ATOM 83 C PTH 1 59.49 83.85 38.96 0.00 0.00
84
+ ATOM 84 C PTH 1 59.49 83.85 39.96 0.00 0.00
85
+ ATOM 85 C PTH 1 59.49 83.85 40.96 0.00 0.00
86
+ ATOM 86 C PTH 1 59.49 83.85 41.96 0.00 0.00
87
+ ATOM 87 C PTH 1 59.49 84.85 38.96 0.00 0.00
88
+ ATOM 88 C PTH 1 59.49 84.85 39.96 0.00 0.00
89
+ ATOM 89 C PTH 1 59.49 84.85 40.96 0.00 0.00
90
+ ATOM 90 C PTH 1 59.49 84.85 41.96 0.00 0.00
91
+ ATOM 91 C PTH 1 59.49 85.85 39.96 0.00 0.00
92
+ ATOM 92 C PTH 1 59.49 85.85 40.96 0.00 0.00
93
+ ATOM 93 C PTH 1 59.49 85.85 41.96 0.00 0.00
94
+ ATOM 94 C PTH 1 60.49 77.85 38.96 0.00 0.00
95
+ ATOM 95 C PTH 1 60.49 77.85 39.96 0.00 0.00
96
+ ATOM 96 C PTH 1 60.49 77.85 40.96 0.00 0.00
97
+ ATOM 97 C PTH 1 60.49 77.85 41.96 0.00 0.00
98
+ ATOM 98 C PTH 1 60.49 78.85 37.96 0.00 0.00
99
+ ATOM 99 C PTH 1 60.49 78.85 38.96 0.00 0.00
100
+ ATOM 100 C PTH 1 60.49 78.85 39.96 0.00 0.00
101
+ ATOM 101 C PTH 1 60.49 78.85 40.96 0.00 0.00
102
+ ATOM 102 C PTH 1 60.49 78.85 41.96 0.00 0.00
103
+ ATOM 103 C PTH 1 60.49 79.85 37.96 0.00 0.00
104
+ ATOM 104 C PTH 1 60.49 79.85 38.96 0.00 0.00
105
+ ATOM 105 C PTH 1 60.49 79.85 39.96 0.00 0.00
106
+ ATOM 106 C PTH 1 60.49 79.85 40.96 0.00 0.00
107
+ ATOM 107 C PTH 1 60.49 79.85 41.96 0.00 0.00
108
+ ATOM 108 C PTH 1 60.49 80.85 37.96 0.00 0.00
109
+ ATOM 109 C PTH 1 60.49 80.85 38.96 0.00 0.00
110
+ ATOM 110 C PTH 1 60.49 80.85 39.96 0.00 0.00
111
+ ATOM 111 C PTH 1 60.49 80.85 40.96 0.00 0.00
112
+ ATOM 112 C PTH 1 60.49 80.85 41.96 0.00 0.00
113
+ ATOM 113 C PTH 1 60.49 81.85 37.96 0.00 0.00
114
+ ATOM 114 C PTH 1 60.49 81.85 38.96 0.00 0.00
115
+ ATOM 115 C PTH 1 60.49 81.85 39.96 0.00 0.00
116
+ ATOM 116 C PTH 1 60.49 81.85 40.96 0.00 0.00
117
+ ATOM 117 C PTH 1 60.49 81.85 41.96 0.00 0.00
118
+ ATOM 118 C PTH 1 60.49 82.85 37.96 0.00 0.00
119
+ ATOM 119 C PTH 1 60.49 82.85 38.96 0.00 0.00
120
+ ATOM 120 C PTH 1 60.49 82.85 39.96 0.00 0.00
121
+ ATOM 121 C PTH 1 60.49 82.85 40.96 0.00 0.00
122
+ ATOM 122 C PTH 1 60.49 82.85 41.96 0.00 0.00
123
+ ATOM 123 C PTH 1 60.49 83.85 37.96 0.00 0.00
124
+ ATOM 124 C PTH 1 60.49 83.85 38.96 0.00 0.00
125
+ ATOM 125 C PTH 1 60.49 83.85 39.96 0.00 0.00
126
+ ATOM 126 C PTH 1 60.49 83.85 40.96 0.00 0.00
127
+ ATOM 127 C PTH 1 60.49 83.85 41.96 0.00 0.00
128
+ ATOM 128 C PTH 1 60.49 84.85 38.96 0.00 0.00
129
+ ATOM 129 C PTH 1 60.49 84.85 39.96 0.00 0.00
130
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131
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210
+ ATOM 210 C PTH 1 64.49 79.85 38.96 0.00 0.00
data/files/A0040/pocket_06.pdb ADDED
@@ -0,0 +1,108 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 61.49 92.85 36.96 0.00 0.00
2
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108
+ ATOM 108 C PTH 1 66.49 92.85 39.96 0.00 0.00
data/files/A0040/pocket_08.pdb ADDED
@@ -0,0 +1,94 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 81.49 105.85 53.96 0.00 0.00
2
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+ ATOM 93 C PTH 1 85.49 110.85 50.96 0.00 0.00
94
+ ATOM 94 C PTH 1 85.49 110.85 51.96 0.00 0.00
data/files/A0040/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A0042/pocket_02.pdb ADDED
@@ -0,0 +1,271 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 73.42 57.24 27.07 0.00 0.00
2
+ ATOM 2 C PTH 1 73.42 57.24 28.07 0.00 0.00
3
+ ATOM 3 C PTH 1 73.42 58.24 27.07 0.00 0.00
4
+ ATOM 4 C PTH 1 73.42 58.24 28.07 0.00 0.00
5
+ ATOM 5 C PTH 1 73.42 59.24 28.07 0.00 0.00
6
+ ATOM 6 C PTH 1 74.42 57.24 25.07 0.00 0.00
7
+ ATOM 7 C PTH 1 74.42 57.24 26.07 0.00 0.00
8
+ ATOM 8 C PTH 1 74.42 57.24 27.07 0.00 0.00
9
+ ATOM 9 C PTH 1 74.42 57.24 28.07 0.00 0.00
10
+ ATOM 10 C PTH 1 74.42 58.24 25.07 0.00 0.00
11
+ ATOM 11 C PTH 1 74.42 58.24 26.07 0.00 0.00
12
+ ATOM 12 C PTH 1 74.42 58.24 27.07 0.00 0.00
13
+ ATOM 13 C PTH 1 74.42 58.24 28.07 0.00 0.00
14
+ ATOM 14 C PTH 1 74.42 59.24 23.07 0.00 0.00
15
+ ATOM 15 C PTH 1 74.42 59.24 24.07 0.00 0.00
16
+ ATOM 16 C PTH 1 74.42 59.24 25.07 0.00 0.00
17
+ ATOM 17 C PTH 1 74.42 59.24 26.07 0.00 0.00
18
+ ATOM 18 C PTH 1 74.42 59.24 27.07 0.00 0.00
19
+ ATOM 19 C PTH 1 74.42 59.24 28.07 0.00 0.00
20
+ ATOM 20 C PTH 1 74.42 60.24 24.07 0.00 0.00
21
+ ATOM 21 C PTH 1 74.42 60.24 25.07 0.00 0.00
22
+ ATOM 22 C PTH 1 74.42 60.24 26.07 0.00 0.00
23
+ ATOM 23 C PTH 1 74.42 60.24 27.07 0.00 0.00
24
+ ATOM 24 C PTH 1 74.42 61.24 24.07 0.00 0.00
25
+ ATOM 25 C PTH 1 74.42 61.24 25.07 0.00 0.00
26
+ ATOM 26 C PTH 1 74.42 61.24 26.07 0.00 0.00
27
+ ATOM 27 C PTH 1 74.42 61.24 27.07 0.00 0.00
28
+ ATOM 28 C PTH 1 74.42 62.24 24.07 0.00 0.00
29
+ ATOM 29 C PTH 1 74.42 62.24 25.07 0.00 0.00
30
+ ATOM 30 C PTH 1 74.42 62.24 26.07 0.00 0.00
31
+ ATOM 31 C PTH 1 74.42 63.24 25.07 0.00 0.00
32
+ ATOM 32 C PTH 1 75.42 57.24 25.07 0.00 0.00
33
+ ATOM 33 C PTH 1 75.42 57.24 26.07 0.00 0.00
34
+ ATOM 34 C PTH 1 75.42 57.24 27.07 0.00 0.00
35
+ ATOM 35 C PTH 1 75.42 57.24 28.07 0.00 0.00
36
+ ATOM 36 C PTH 1 75.42 58.24 23.07 0.00 0.00
37
+ ATOM 37 C PTH 1 75.42 58.24 24.07 0.00 0.00
38
+ ATOM 38 C PTH 1 75.42 58.24 25.07 0.00 0.00
39
+ ATOM 39 C PTH 1 75.42 58.24 26.07 0.00 0.00
40
+ ATOM 40 C PTH 1 75.42 58.24 27.07 0.00 0.00
41
+ ATOM 41 C PTH 1 75.42 58.24 28.07 0.00 0.00
42
+ ATOM 42 C PTH 1 75.42 59.24 23.07 0.00 0.00
43
+ ATOM 43 C PTH 1 75.42 59.24 24.07 0.00 0.00
44
+ ATOM 44 C PTH 1 75.42 59.24 25.07 0.00 0.00
45
+ ATOM 45 C PTH 1 75.42 59.24 26.07 0.00 0.00
46
+ ATOM 46 C PTH 1 75.42 59.24 27.07 0.00 0.00
47
+ ATOM 47 C PTH 1 75.42 59.24 28.07 0.00 0.00
48
+ ATOM 48 C PTH 1 75.42 60.24 23.07 0.00 0.00
49
+ ATOM 49 C PTH 1 75.42 60.24 24.07 0.00 0.00
50
+ ATOM 50 C PTH 1 75.42 60.24 25.07 0.00 0.00
51
+ ATOM 51 C PTH 1 75.42 60.24 26.07 0.00 0.00
52
+ ATOM 52 C PTH 1 75.42 60.24 27.07 0.00 0.00
53
+ ATOM 53 C PTH 1 75.42 61.24 24.07 0.00 0.00
54
+ ATOM 54 C PTH 1 75.42 61.24 25.07 0.00 0.00
55
+ ATOM 55 C PTH 1 75.42 61.24 26.07 0.00 0.00
56
+ ATOM 56 C PTH 1 75.42 61.24 27.07 0.00 0.00
57
+ ATOM 57 C PTH 1 75.42 62.24 24.07 0.00 0.00
58
+ ATOM 58 C PTH 1 75.42 62.24 25.07 0.00 0.00
59
+ ATOM 59 C PTH 1 75.42 62.24 26.07 0.00 0.00
60
+ ATOM 60 C PTH 1 75.42 63.24 24.07 0.00 0.00
61
+ ATOM 61 C PTH 1 75.42 63.24 25.07 0.00 0.00
62
+ ATOM 62 C PTH 1 75.42 64.24 24.07 0.00 0.00
63
+ ATOM 63 C PTH 1 75.42 64.24 25.07 0.00 0.00
64
+ ATOM 64 C PTH 1 75.42 65.24 24.07 0.00 0.00
65
+ ATOM 65 C PTH 1 75.42 65.24 25.07 0.00 0.00
66
+ ATOM 66 C PTH 1 76.42 57.24 26.07 0.00 0.00
67
+ ATOM 67 C PTH 1 76.42 57.24 27.07 0.00 0.00
68
+ ATOM 68 C PTH 1 76.42 58.24 24.07 0.00 0.00
69
+ ATOM 69 C PTH 1 76.42 58.24 25.07 0.00 0.00
70
+ ATOM 70 C PTH 1 76.42 58.24 26.07 0.00 0.00
71
+ ATOM 71 C PTH 1 76.42 58.24 27.07 0.00 0.00
72
+ ATOM 72 C PTH 1 76.42 58.24 28.07 0.00 0.00
73
+ ATOM 73 C PTH 1 76.42 59.24 23.07 0.00 0.00
74
+ ATOM 74 C PTH 1 76.42 59.24 24.07 0.00 0.00
75
+ ATOM 75 C PTH 1 76.42 59.24 25.07 0.00 0.00
76
+ ATOM 76 C PTH 1 76.42 59.24 26.07 0.00 0.00
77
+ ATOM 77 C PTH 1 76.42 59.24 27.07 0.00 0.00
78
+ ATOM 78 C PTH 1 76.42 59.24 28.07 0.00 0.00
79
+ ATOM 79 C PTH 1 76.42 60.24 23.07 0.00 0.00
80
+ ATOM 80 C PTH 1 76.42 60.24 24.07 0.00 0.00
81
+ ATOM 81 C PTH 1 76.42 60.24 25.07 0.00 0.00
82
+ ATOM 82 C PTH 1 76.42 60.24 26.07 0.00 0.00
83
+ ATOM 83 C PTH 1 76.42 60.24 27.07 0.00 0.00
84
+ ATOM 84 C PTH 1 76.42 61.24 23.07 0.00 0.00
85
+ ATOM 85 C PTH 1 76.42 61.24 24.07 0.00 0.00
86
+ ATOM 86 C PTH 1 76.42 61.24 25.07 0.00 0.00
87
+ ATOM 87 C PTH 1 76.42 61.24 26.07 0.00 0.00
88
+ ATOM 88 C PTH 1 76.42 62.24 22.07 0.00 0.00
89
+ ATOM 89 C PTH 1 76.42 62.24 23.07 0.00 0.00
90
+ ATOM 90 C PTH 1 76.42 62.24 24.07 0.00 0.00
91
+ ATOM 91 C PTH 1 76.42 62.24 25.07 0.00 0.00
92
+ ATOM 92 C PTH 1 76.42 62.24 26.07 0.00 0.00
93
+ ATOM 93 C PTH 1 76.42 63.24 23.07 0.00 0.00
94
+ ATOM 94 C PTH 1 76.42 63.24 24.07 0.00 0.00
95
+ ATOM 95 C PTH 1 76.42 63.24 25.07 0.00 0.00
96
+ ATOM 96 C PTH 1 76.42 64.24 23.07 0.00 0.00
97
+ ATOM 97 C PTH 1 76.42 64.24 24.07 0.00 0.00
98
+ ATOM 98 C PTH 1 76.42 64.24 25.07 0.00 0.00
99
+ ATOM 99 C PTH 1 76.42 65.24 24.07 0.00 0.00
100
+ ATOM 100 C PTH 1 76.42 65.24 25.07 0.00 0.00
101
+ ATOM 101 C PTH 1 76.42 66.24 24.07 0.00 0.00
102
+ ATOM 102 C PTH 1 76.42 66.24 25.07 0.00 0.00
103
+ ATOM 103 C PTH 1 76.42 66.24 26.07 0.00 0.00
104
+ ATOM 104 C PTH 1 77.42 58.24 25.07 0.00 0.00
105
+ ATOM 105 C PTH 1 77.42 58.24 26.07 0.00 0.00
106
+ ATOM 106 C PTH 1 77.42 59.24 23.07 0.00 0.00
107
+ ATOM 107 C PTH 1 77.42 59.24 24.07 0.00 0.00
108
+ ATOM 108 C PTH 1 77.42 59.24 25.07 0.00 0.00
109
+ ATOM 109 C PTH 1 77.42 59.24 26.07 0.00 0.00
110
+ ATOM 110 C PTH 1 77.42 59.24 27.07 0.00 0.00
111
+ ATOM 111 C PTH 1 77.42 60.24 23.07 0.00 0.00
112
+ ATOM 112 C PTH 1 77.42 60.24 24.07 0.00 0.00
113
+ ATOM 113 C PTH 1 77.42 60.24 25.07 0.00 0.00
114
+ ATOM 114 C PTH 1 77.42 60.24 26.07 0.00 0.00
115
+ ATOM 115 C PTH 1 77.42 60.24 27.07 0.00 0.00
116
+ ATOM 116 C PTH 1 77.42 61.24 21.07 0.00 0.00
117
+ ATOM 117 C PTH 1 77.42 61.24 22.07 0.00 0.00
118
+ ATOM 118 C PTH 1 77.42 61.24 23.07 0.00 0.00
119
+ ATOM 119 C PTH 1 77.42 61.24 24.07 0.00 0.00
120
+ ATOM 120 C PTH 1 77.42 61.24 25.07 0.00 0.00
121
+ ATOM 121 C PTH 1 77.42 61.24 26.07 0.00 0.00
122
+ ATOM 122 C PTH 1 77.42 62.24 21.07 0.00 0.00
123
+ ATOM 123 C PTH 1 77.42 62.24 22.07 0.00 0.00
124
+ ATOM 124 C PTH 1 77.42 62.24 23.07 0.00 0.00
125
+ ATOM 125 C PTH 1 77.42 62.24 24.07 0.00 0.00
126
+ ATOM 126 C PTH 1 77.42 62.24 25.07 0.00 0.00
127
+ ATOM 127 C PTH 1 77.42 62.24 26.07 0.00 0.00
128
+ ATOM 128 C PTH 1 77.42 63.24 21.07 0.00 0.00
129
+ ATOM 129 C PTH 1 77.42 63.24 22.07 0.00 0.00
130
+ ATOM 130 C PTH 1 77.42 63.24 23.07 0.00 0.00
131
+ ATOM 131 C PTH 1 77.42 63.24 24.07 0.00 0.00
132
+ ATOM 132 C PTH 1 77.42 63.24 25.07 0.00 0.00
133
+ ATOM 133 C PTH 1 77.42 64.24 22.07 0.00 0.00
134
+ ATOM 134 C PTH 1 77.42 64.24 23.07 0.00 0.00
135
+ ATOM 135 C PTH 1 77.42 64.24 24.07 0.00 0.00
136
+ ATOM 136 C PTH 1 77.42 64.24 25.07 0.00 0.00
137
+ ATOM 137 C PTH 1 77.42 65.24 23.07 0.00 0.00
138
+ ATOM 138 C PTH 1 77.42 65.24 24.07 0.00 0.00
139
+ ATOM 139 C PTH 1 77.42 65.24 25.07 0.00 0.00
140
+ ATOM 140 C PTH 1 77.42 66.24 24.07 0.00 0.00
141
+ ATOM 141 C PTH 1 77.42 66.24 25.07 0.00 0.00
142
+ ATOM 142 C PTH 1 77.42 66.24 26.07 0.00 0.00
143
+ ATOM 143 C PTH 1 77.42 67.24 24.07 0.00 0.00
144
+ ATOM 144 C PTH 1 77.42 67.24 25.07 0.00 0.00
145
+ ATOM 145 C PTH 1 77.42 67.24 26.07 0.00 0.00
146
+ ATOM 146 C PTH 1 78.42 59.24 24.07 0.00 0.00
147
+ ATOM 147 C PTH 1 78.42 60.24 23.07 0.00 0.00
148
+ ATOM 148 C PTH 1 78.42 60.24 24.07 0.00 0.00
149
+ ATOM 149 C PTH 1 78.42 60.24 25.07 0.00 0.00
150
+ ATOM 150 C PTH 1 78.42 60.24 26.07 0.00 0.00
151
+ ATOM 151 C PTH 1 78.42 61.24 21.07 0.00 0.00
152
+ ATOM 152 C PTH 1 78.42 61.24 22.07 0.00 0.00
153
+ ATOM 153 C PTH 1 78.42 61.24 23.07 0.00 0.00
154
+ ATOM 154 C PTH 1 78.42 61.24 24.07 0.00 0.00
155
+ ATOM 155 C PTH 1 78.42 61.24 25.07 0.00 0.00
156
+ ATOM 156 C PTH 1 78.42 61.24 26.07 0.00 0.00
157
+ ATOM 157 C PTH 1 78.42 62.24 21.07 0.00 0.00
158
+ ATOM 158 C PTH 1 78.42 62.24 22.07 0.00 0.00
159
+ ATOM 159 C PTH 1 78.42 62.24 23.07 0.00 0.00
160
+ ATOM 160 C PTH 1 78.42 62.24 24.07 0.00 0.00
161
+ ATOM 161 C PTH 1 78.42 62.24 25.07 0.00 0.00
162
+ ATOM 162 C PTH 1 78.42 63.24 21.07 0.00 0.00
163
+ ATOM 163 C PTH 1 78.42 63.24 22.07 0.00 0.00
164
+ ATOM 164 C PTH 1 78.42 63.24 23.07 0.00 0.00
165
+ ATOM 165 C PTH 1 78.42 63.24 24.07 0.00 0.00
166
+ ATOM 166 C PTH 1 78.42 63.24 25.07 0.00 0.00
167
+ ATOM 167 C PTH 1 78.42 64.24 21.07 0.00 0.00
168
+ ATOM 168 C PTH 1 78.42 64.24 22.07 0.00 0.00
169
+ ATOM 169 C PTH 1 78.42 64.24 23.07 0.00 0.00
170
+ ATOM 170 C PTH 1 78.42 64.24 24.07 0.00 0.00
171
+ ATOM 171 C PTH 1 78.42 64.24 25.07 0.00 0.00
172
+ ATOM 172 C PTH 1 78.42 65.24 21.07 0.00 0.00
173
+ ATOM 173 C PTH 1 78.42 65.24 22.07 0.00 0.00
174
+ ATOM 174 C PTH 1 78.42 65.24 23.07 0.00 0.00
175
+ ATOM 175 C PTH 1 78.42 65.24 24.07 0.00 0.00
176
+ ATOM 176 C PTH 1 78.42 65.24 25.07 0.00 0.00
177
+ ATOM 177 C PTH 1 78.42 66.24 22.07 0.00 0.00
178
+ ATOM 178 C PTH 1 78.42 66.24 23.07 0.00 0.00
179
+ ATOM 179 C PTH 1 78.42 66.24 24.07 0.00 0.00
180
+ ATOM 180 C PTH 1 78.42 66.24 25.07 0.00 0.00
181
+ ATOM 181 C PTH 1 78.42 67.24 23.07 0.00 0.00
182
+ ATOM 182 C PTH 1 78.42 67.24 24.07 0.00 0.00
183
+ ATOM 183 C PTH 1 78.42 67.24 25.07 0.00 0.00
184
+ ATOM 184 C PTH 1 78.42 67.24 26.07 0.00 0.00
185
+ ATOM 185 C PTH 1 79.42 61.24 22.07 0.00 0.00
186
+ ATOM 186 C PTH 1 79.42 61.24 23.07 0.00 0.00
187
+ ATOM 187 C PTH 1 79.42 61.24 24.07 0.00 0.00
188
+ ATOM 188 C PTH 1 79.42 62.24 21.07 0.00 0.00
189
+ ATOM 189 C PTH 1 79.42 62.24 22.07 0.00 0.00
190
+ ATOM 190 C PTH 1 79.42 62.24 23.07 0.00 0.00
191
+ ATOM 191 C PTH 1 79.42 62.24 24.07 0.00 0.00
192
+ ATOM 192 C PTH 1 79.42 63.24 21.07 0.00 0.00
193
+ ATOM 193 C PTH 1 79.42 63.24 22.07 0.00 0.00
194
+ ATOM 194 C PTH 1 79.42 63.24 23.07 0.00 0.00
195
+ ATOM 195 C PTH 1 79.42 63.24 24.07 0.00 0.00
196
+ ATOM 196 C PTH 1 79.42 63.24 25.07 0.00 0.00
197
+ ATOM 197 C PTH 1 79.42 64.24 21.07 0.00 0.00
198
+ ATOM 198 C PTH 1 79.42 64.24 22.07 0.00 0.00
199
+ ATOM 199 C PTH 1 79.42 64.24 23.07 0.00 0.00
200
+ ATOM 200 C PTH 1 79.42 64.24 24.07 0.00 0.00
201
+ ATOM 201 C PTH 1 79.42 64.24 25.07 0.00 0.00
202
+ ATOM 202 C PTH 1 79.42 65.24 21.07 0.00 0.00
203
+ ATOM 203 C PTH 1 79.42 65.24 22.07 0.00 0.00
204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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228
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229
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230
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
+ ATOM 241 C PTH 1 80.42 67.24 23.07 0.00 0.00
242
+ ATOM 242 C PTH 1 80.42 67.24 24.07 0.00 0.00
243
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244
+ ATOM 244 C PTH 1 81.42 61.24 22.07 0.00 0.00
245
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246
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247
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248
+ ATOM 248 C PTH 1 81.42 63.24 21.07 0.00 0.00
249
+ ATOM 249 C PTH 1 81.42 63.24 22.07 0.00 0.00
250
+ ATOM 250 C PTH 1 81.42 63.24 23.07 0.00 0.00
251
+ ATOM 251 C PTH 1 81.42 63.24 24.07 0.00 0.00
252
+ ATOM 252 C PTH 1 81.42 64.24 21.07 0.00 0.00
253
+ ATOM 253 C PTH 1 81.42 64.24 22.07 0.00 0.00
254
+ ATOM 254 C PTH 1 81.42 64.24 23.07 0.00 0.00
255
+ ATOM 255 C PTH 1 81.42 64.24 24.07 0.00 0.00
256
+ ATOM 256 C PTH 1 81.42 65.24 21.07 0.00 0.00
257
+ ATOM 257 C PTH 1 81.42 65.24 22.07 0.00 0.00
258
+ ATOM 258 C PTH 1 81.42 65.24 23.07 0.00 0.00
259
+ ATOM 259 C PTH 1 81.42 65.24 24.07 0.00 0.00
260
+ ATOM 260 C PTH 1 81.42 66.24 22.07 0.00 0.00
261
+ ATOM 261 C PTH 1 81.42 66.24 23.07 0.00 0.00
262
+ ATOM 262 C PTH 1 81.42 66.24 24.07 0.00 0.00
263
+ ATOM 263 C PTH 1 81.42 67.24 23.07 0.00 0.00
264
+ ATOM 264 C PTH 1 81.42 67.24 24.07 0.00 0.00
265
+ ATOM 265 C PTH 1 82.42 62.24 22.07 0.00 0.00
266
+ ATOM 266 C PTH 1 82.42 62.24 23.07 0.00 0.00
267
+ ATOM 267 C PTH 1 82.42 63.24 22.07 0.00 0.00
268
+ ATOM 268 C PTH 1 82.42 63.24 23.07 0.00 0.00
269
+ ATOM 269 C PTH 1 82.42 64.24 22.07 0.00 0.00
270
+ ATOM 270 C PTH 1 82.42 64.24 23.07 0.00 0.00
271
+ ATOM 271 C PTH 1 82.42 65.24 23.07 0.00 0.00
data/files/A0042/pocket_06.pdb ADDED
@@ -0,0 +1,54 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 68.42 82.24 32.07 0.00 0.00
2
+ ATOM 2 C PTH 1 68.42 83.24 31.07 0.00 0.00
3
+ ATOM 3 C PTH 1 68.42 83.24 32.07 0.00 0.00
4
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5
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data/files/A005Q/pocket_08.pdb ADDED
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1
+ ATOM 1 C PTH 1 86.4 45.82 52.22 0.00 0.00
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+ ATOM 76 C PTH 1 90.4 48.82 53.22 0.00 0.00
data/files/A005S/pocket_01.pdb ADDED
@@ -0,0 +1,377 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 21.04 69.94 33.12 0.00 0.00
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148
+ ATOM 148 C PTH 1 27.04 73.94 36.12 0.00 0.00
149
+ ATOM 149 C PTH 1 27.04 73.94 37.12 0.00 0.00
150
+ ATOM 150 C PTH 1 27.04 73.94 38.12 0.00 0.00
151
+ ATOM 151 C PTH 1 27.04 73.94 39.12 0.00 0.00
152
+ ATOM 152 C PTH 1 27.04 74.94 31.12 0.00 0.00
153
+ ATOM 153 C PTH 1 27.04 74.94 32.12 0.00 0.00
154
+ ATOM 154 C PTH 1 27.04 74.94 33.12 0.00 0.00
155
+ ATOM 155 C PTH 1 27.04 74.94 34.12 0.00 0.00
156
+ ATOM 156 C PTH 1 27.04 74.94 35.12 0.00 0.00
157
+ ATOM 157 C PTH 1 27.04 74.94 36.12 0.00 0.00
158
+ ATOM 158 C PTH 1 27.04 74.94 37.12 0.00 0.00
159
+ ATOM 159 C PTH 1 27.04 74.94 38.12 0.00 0.00
160
+ ATOM 160 C PTH 1 27.04 74.94 39.12 0.00 0.00
161
+ ATOM 161 C PTH 1 27.04 75.94 32.12 0.00 0.00
162
+ ATOM 162 C PTH 1 27.04 75.94 33.12 0.00 0.00
163
+ ATOM 163 C PTH 1 27.04 75.94 34.12 0.00 0.00
164
+ ATOM 164 C PTH 1 27.04 75.94 35.12 0.00 0.00
165
+ ATOM 165 C PTH 1 27.04 75.94 36.12 0.00 0.00
166
+ ATOM 166 C PTH 1 27.04 75.94 37.12 0.00 0.00
167
+ ATOM 167 C PTH 1 27.04 75.94 38.12 0.00 0.00
168
+ ATOM 168 C PTH 1 27.04 75.94 39.12 0.00 0.00
169
+ ATOM 169 C PTH 1 27.04 76.94 32.12 0.00 0.00
170
+ ATOM 170 C PTH 1 27.04 76.94 33.12 0.00 0.00
171
+ ATOM 171 C PTH 1 27.04 76.94 34.12 0.00 0.00
172
+ ATOM 172 C PTH 1 27.04 76.94 35.12 0.00 0.00
173
+ ATOM 173 C PTH 1 27.04 76.94 36.12 0.00 0.00
174
+ ATOM 174 C PTH 1 27.04 76.94 37.12 0.00 0.00
175
+ ATOM 175 C PTH 1 27.04 76.94 38.12 0.00 0.00
176
+ ATOM 176 C PTH 1 27.04 77.94 33.12 0.00 0.00
177
+ ATOM 177 C PTH 1 27.04 77.94 34.12 0.00 0.00
178
+ ATOM 178 C PTH 1 27.04 77.94 35.12 0.00 0.00
179
+ ATOM 179 C PTH 1 27.04 77.94 36.12 0.00 0.00
180
+ ATOM 180 C PTH 1 27.04 77.94 37.12 0.00 0.00
181
+ ATOM 181 C PTH 1 28.04 70.94 31.12 0.00 0.00
182
+ ATOM 182 C PTH 1 28.04 70.94 32.12 0.00 0.00
183
+ ATOM 183 C PTH 1 28.04 70.94 33.12 0.00 0.00
184
+ ATOM 184 C PTH 1 28.04 71.94 31.12 0.00 0.00
185
+ ATOM 185 C PTH 1 28.04 71.94 32.12 0.00 0.00
186
+ ATOM 186 C PTH 1 28.04 71.94 33.12 0.00 0.00
187
+ ATOM 187 C PTH 1 28.04 71.94 34.12 0.00 0.00
188
+ ATOM 188 C PTH 1 28.04 72.94 31.12 0.00 0.00
189
+ ATOM 189 C PTH 1 28.04 72.94 32.12 0.00 0.00
190
+ ATOM 190 C PTH 1 28.04 72.94 33.12 0.00 0.00
191
+ ATOM 191 C PTH 1 28.04 72.94 34.12 0.00 0.00
192
+ ATOM 192 C PTH 1 28.04 72.94 35.12 0.00 0.00
193
+ ATOM 193 C PTH 1 28.04 73.94 31.12 0.00 0.00
194
+ ATOM 194 C PTH 1 28.04 73.94 32.12 0.00 0.00
195
+ ATOM 195 C PTH 1 28.04 73.94 33.12 0.00 0.00
196
+ ATOM 196 C PTH 1 28.04 73.94 34.12 0.00 0.00
197
+ ATOM 197 C PTH 1 28.04 73.94 35.12 0.00 0.00
198
+ ATOM 198 C PTH 1 28.04 73.94 36.12 0.00 0.00
199
+ ATOM 199 C PTH 1 28.04 73.94 37.12 0.00 0.00
200
+ ATOM 200 C PTH 1 28.04 73.94 38.12 0.00 0.00
201
+ ATOM 201 C PTH 1 28.04 74.94 31.12 0.00 0.00
202
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203
+ ATOM 203 C PTH 1 28.04 74.94 33.12 0.00 0.00
204
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205
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206
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207
+ ATOM 207 C PTH 1 28.04 74.94 37.12 0.00 0.00
208
+ ATOM 208 C PTH 1 28.04 74.94 38.12 0.00 0.00
209
+ ATOM 209 C PTH 1 28.04 75.94 31.12 0.00 0.00
210
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211
+ ATOM 211 C PTH 1 28.04 75.94 33.12 0.00 0.00
212
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213
+ ATOM 213 C PTH 1 28.04 75.94 35.12 0.00 0.00
214
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215
+ ATOM 215 C PTH 1 28.04 75.94 37.12 0.00 0.00
216
+ ATOM 216 C PTH 1 28.04 75.94 38.12 0.00 0.00
217
+ ATOM 217 C PTH 1 28.04 75.94 39.12 0.00 0.00
218
+ ATOM 218 C PTH 1 28.04 76.94 32.12 0.00 0.00
219
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220
+ ATOM 220 C PTH 1 28.04 76.94 34.12 0.00 0.00
221
+ ATOM 221 C PTH 1 28.04 76.94 35.12 0.00 0.00
222
+ ATOM 222 C PTH 1 28.04 76.94 36.12 0.00 0.00
223
+ ATOM 223 C PTH 1 28.04 76.94 37.12 0.00 0.00
224
+ ATOM 224 C PTH 1 28.04 76.94 38.12 0.00 0.00
225
+ ATOM 225 C PTH 1 28.04 77.94 33.12 0.00 0.00
226
+ ATOM 226 C PTH 1 28.04 77.94 34.12 0.00 0.00
227
+ ATOM 227 C PTH 1 28.04 77.94 35.12 0.00 0.00
228
+ ATOM 228 C PTH 1 28.04 77.94 36.12 0.00 0.00
229
+ ATOM 229 C PTH 1 28.04 77.94 37.12 0.00 0.00
230
+ ATOM 230 C PTH 1 28.04 78.94 35.12 0.00 0.00
231
+ ATOM 231 C PTH 1 28.04 78.94 36.12 0.00 0.00
232
+ ATOM 232 C PTH 1 29.04 70.94 31.12 0.00 0.00
233
+ ATOM 233 C PTH 1 29.04 70.94 32.12 0.00 0.00
234
+ ATOM 234 C PTH 1 29.04 71.94 30.12 0.00 0.00
235
+ ATOM 235 C PTH 1 29.04 71.94 31.12 0.00 0.00
236
+ ATOM 236 C PTH 1 29.04 71.94 32.12 0.00 0.00
237
+ ATOM 237 C PTH 1 29.04 71.94 33.12 0.00 0.00
238
+ ATOM 238 C PTH 1 29.04 72.94 30.12 0.00 0.00
239
+ ATOM 239 C PTH 1 29.04 72.94 31.12 0.00 0.00
240
+ ATOM 240 C PTH 1 29.04 72.94 32.12 0.00 0.00
241
+ ATOM 241 C PTH 1 29.04 72.94 33.12 0.00 0.00
242
+ ATOM 242 C PTH 1 29.04 72.94 34.12 0.00 0.00
243
+ ATOM 243 C PTH 1 29.04 72.94 35.12 0.00 0.00
244
+ ATOM 244 C PTH 1 29.04 73.94 31.12 0.00 0.00
245
+ ATOM 245 C PTH 1 29.04 73.94 32.12 0.00 0.00
246
+ ATOM 246 C PTH 1 29.04 73.94 33.12 0.00 0.00
247
+ ATOM 247 C PTH 1 29.04 73.94 34.12 0.00 0.00
248
+ ATOM 248 C PTH 1 29.04 73.94 35.12 0.00 0.00
249
+ ATOM 249 C PTH 1 29.04 73.94 36.12 0.00 0.00
250
+ ATOM 250 C PTH 1 29.04 73.94 37.12 0.00 0.00
251
+ ATOM 251 C PTH 1 29.04 73.94 38.12 0.00 0.00
252
+ ATOM 252 C PTH 1 29.04 74.94 31.12 0.00 0.00
253
+ ATOM 253 C PTH 1 29.04 74.94 32.12 0.00 0.00
254
+ ATOM 254 C PTH 1 29.04 74.94 33.12 0.00 0.00
255
+ ATOM 255 C PTH 1 29.04 74.94 34.12 0.00 0.00
256
+ ATOM 256 C PTH 1 29.04 74.94 35.12 0.00 0.00
257
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258
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259
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260
+ ATOM 260 C PTH 1 29.04 75.94 31.12 0.00 0.00
261
+ ATOM 261 C PTH 1 29.04 75.94 32.12 0.00 0.00
262
+ ATOM 262 C PTH 1 29.04 75.94 33.12 0.00 0.00
263
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264
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265
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266
+ ATOM 266 C PTH 1 29.04 75.94 37.12 0.00 0.00
267
+ ATOM 267 C PTH 1 29.04 75.94 38.12 0.00 0.00
268
+ ATOM 268 C PTH 1 29.04 76.94 32.12 0.00 0.00
269
+ ATOM 269 C PTH 1 29.04 76.94 33.12 0.00 0.00
270
+ ATOM 270 C PTH 1 29.04 76.94 34.12 0.00 0.00
271
+ ATOM 271 C PTH 1 29.04 76.94 35.12 0.00 0.00
272
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273
+ ATOM 273 C PTH 1 29.04 76.94 37.12 0.00 0.00
274
+ ATOM 274 C PTH 1 29.04 76.94 38.12 0.00 0.00
275
+ ATOM 275 C PTH 1 29.04 77.94 32.12 0.00 0.00
276
+ ATOM 276 C PTH 1 29.04 77.94 33.12 0.00 0.00
277
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278
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279
+ ATOM 279 C PTH 1 29.04 77.94 36.12 0.00 0.00
280
+ ATOM 280 C PTH 1 29.04 77.94 37.12 0.00 0.00
281
+ ATOM 281 C PTH 1 29.04 77.94 38.12 0.00 0.00
282
+ ATOM 282 C PTH 1 29.04 78.94 33.12 0.00 0.00
283
+ ATOM 283 C PTH 1 29.04 78.94 34.12 0.00 0.00
284
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285
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286
+ ATOM 286 C PTH 1 29.04 79.94 34.12 0.00 0.00
287
+ ATOM 287 C PTH 1 29.04 79.94 35.12 0.00 0.00
288
+ ATOM 288 C PTH 1 30.04 71.94 30.12 0.00 0.00
289
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290
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291
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292
+ ATOM 292 C PTH 1 30.04 72.94 31.12 0.00 0.00
293
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294
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295
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296
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297
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298
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299
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300
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301
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302
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303
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304
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305
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306
+ ATOM 306 C PTH 1 30.04 75.94 31.12 0.00 0.00
307
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308
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309
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310
+ ATOM 310 C PTH 1 30.04 75.94 35.12 0.00 0.00
311
+ ATOM 311 C PTH 1 30.04 75.94 36.12 0.00 0.00
312
+ ATOM 312 C PTH 1 30.04 75.94 37.12 0.00 0.00
313
+ ATOM 313 C PTH 1 30.04 76.94 31.12 0.00 0.00
314
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315
+ ATOM 315 C PTH 1 30.04 76.94 33.12 0.00 0.00
316
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317
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318
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319
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320
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321
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322
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323
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324
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325
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326
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327
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328
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329
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330
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331
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332
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333
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334
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335
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336
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337
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338
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339
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340
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341
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342
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343
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344
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345
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346
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347
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348
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349
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350
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351
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352
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353
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354
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355
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356
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357
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358
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359
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360
+ ATOM 360 C PTH 1 31.04 77.94 36.12 0.00 0.00
361
+ ATOM 361 C PTH 1 31.04 77.94 38.12 0.00 0.00
362
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363
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364
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365
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366
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367
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368
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369
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370
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371
+ ATOM 371 C PTH 1 32.04 75.94 31.12 0.00 0.00
372
+ ATOM 372 C PTH 1 32.04 76.94 31.12 0.00 0.00
373
+ ATOM 373 C PTH 1 32.04 77.94 31.12 0.00 0.00
374
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375
+ ATOM 375 C PTH 1 32.04 78.94 31.12 0.00 0.00
376
+ ATOM 376 C PTH 1 32.04 78.94 32.12 0.00 0.00
377
+ ATOM 377 C PTH 1 32.04 79.94 32.12 0.00 0.00
data/files/A005X/pocket_03.pdb ADDED
@@ -0,0 +1,142 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 -4.98 40.42 32.88 0.00 0.00
2
+ ATOM 2 C PTH 1 -4.98 40.42 33.88 0.00 0.00
3
+ ATOM 3 C PTH 1 -4.98 40.42 34.88 0.00 0.00
4
+ ATOM 4 C PTH 1 -4.98 40.42 35.88 0.00 0.00
5
+ ATOM 5 C PTH 1 -4.98 41.42 31.88 0.00 0.00
6
+ ATOM 6 C PTH 1 -4.98 41.42 32.88 0.00 0.00
7
+ ATOM 7 C PTH 1 -4.98 41.42 33.88 0.00 0.00
8
+ ATOM 8 C PTH 1 -4.98 41.42 34.88 0.00 0.00
9
+ ATOM 9 C PTH 1 -4.98 41.42 35.88 0.00 0.00
10
+ ATOM 10 C PTH 1 -4.98 42.42 31.88 0.00 0.00
11
+ ATOM 11 C PTH 1 -4.98 42.42 32.88 0.00 0.00
12
+ ATOM 12 C PTH 1 -4.98 42.42 33.88 0.00 0.00
13
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14
+ ATOM 14 C PTH 1 -4.98 42.42 35.88 0.00 0.00
15
+ ATOM 15 C PTH 1 -4.98 43.42 32.88 0.00 0.00
16
+ ATOM 16 C PTH 1 -4.98 43.42 33.88 0.00 0.00
17
+ ATOM 17 C PTH 1 -4.98 43.42 34.88 0.00 0.00
18
+ ATOM 18 C PTH 1 -4.98 43.42 35.88 0.00 0.00
19
+ ATOM 19 C PTH 1 -3.98 39.42 31.88 0.00 0.00
20
+ ATOM 20 C PTH 1 -3.98 39.42 32.88 0.00 0.00
21
+ ATOM 21 C PTH 1 -3.98 39.42 33.88 0.00 0.00
22
+ ATOM 22 C PTH 1 -3.98 40.42 31.88 0.00 0.00
23
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24
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25
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26
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27
+ ATOM 27 C PTH 1 -3.98 41.42 31.88 0.00 0.00
28
+ ATOM 28 C PTH 1 -3.98 41.42 32.88 0.00 0.00
29
+ ATOM 29 C PTH 1 -3.98 41.42 33.88 0.00 0.00
30
+ ATOM 30 C PTH 1 -3.98 41.42 34.88 0.00 0.00
31
+ ATOM 31 C PTH 1 -3.98 41.42 35.88 0.00 0.00
32
+ ATOM 32 C PTH 1 -3.98 42.42 31.88 0.00 0.00
33
+ ATOM 33 C PTH 1 -3.98 42.42 32.88 0.00 0.00
34
+ ATOM 34 C PTH 1 -3.98 42.42 33.88 0.00 0.00
35
+ ATOM 35 C PTH 1 -3.98 42.42 34.88 0.00 0.00
36
+ ATOM 36 C PTH 1 -3.98 42.42 35.88 0.00 0.00
37
+ ATOM 37 C PTH 1 -3.98 43.42 31.88 0.00 0.00
38
+ ATOM 38 C PTH 1 -3.98 43.42 32.88 0.00 0.00
39
+ ATOM 39 C PTH 1 -3.98 43.42 33.88 0.00 0.00
40
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41
+ ATOM 41 C PTH 1 -3.98 43.42 35.88 0.00 0.00
42
+ ATOM 42 C PTH 1 -3.98 44.42 31.88 0.00 0.00
43
+ ATOM 43 C PTH 1 -3.98 44.42 32.88 0.00 0.00
44
+ ATOM 44 C PTH 1 -3.98 44.42 33.88 0.00 0.00
45
+ ATOM 45 C PTH 1 -3.98 44.42 34.88 0.00 0.00
46
+ ATOM 46 C PTH 1 -3.98 44.42 35.88 0.00 0.00
47
+ ATOM 47 C PTH 1 -3.98 45.42 32.88 0.00 0.00
48
+ ATOM 48 C PTH 1 -3.98 45.42 33.88 0.00 0.00
49
+ ATOM 49 C PTH 1 -2.98 39.42 31.88 0.00 0.00
50
+ ATOM 50 C PTH 1 -2.98 39.42 32.88 0.00 0.00
51
+ ATOM 51 C PTH 1 -2.98 39.42 33.88 0.00 0.00
52
+ ATOM 52 C PTH 1 -2.98 40.42 30.88 0.00 0.00
53
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54
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data/files/A005X/pocket_05.pdb ADDED
@@ -0,0 +1,103 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A005X/pocket_06.pdb ADDED
@@ -0,0 +1,94 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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+ ATOM 94 C PTH 1 24.02 43.42 33.88 0.00 0.00
data/files/A005X/pocket_08.pdb ADDED
@@ -0,0 +1,85 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0069/pocket_01.pdb ADDED
@@ -0,0 +1,167 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0069/pocket_02.pdb ADDED
@@ -0,0 +1,143 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0069/pocket_03.pdb ADDED
@@ -0,0 +1,133 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 68.05 20.49 39.66 0.00 0.00
2
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data/files/A0069/pocket_04.pdb ADDED
@@ -0,0 +1,97 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 63.05 34.49 24.66 0.00 0.00
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21
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22
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25
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26
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27
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28
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30
+ ATOM 30 C PTH 1 65.05 32.49 26.66 0.00 0.00
31
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49
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67
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68
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69
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70
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73
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76
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78
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79
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80
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81
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82
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83
+ ATOM 83 C PTH 1 67.05 34.49 25.66 0.00 0.00
84
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85
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86
+ ATOM 86 C PTH 1 67.05 34.49 28.66 0.00 0.00
87
+ ATOM 87 C PTH 1 67.05 34.49 29.66 0.00 0.00
88
+ ATOM 88 C PTH 1 67.05 35.49 25.66 0.00 0.00
89
+ ATOM 89 C PTH 1 67.05 35.49 26.66 0.00 0.00
90
+ ATOM 90 C PTH 1 67.05 35.49 27.66 0.00 0.00
91
+ ATOM 91 C PTH 1 67.05 35.49 28.66 0.00 0.00
92
+ ATOM 92 C PTH 1 67.05 36.49 26.66 0.00 0.00
93
+ ATOM 93 C PTH 1 67.05 36.49 27.66 0.00 0.00
94
+ ATOM 94 C PTH 1 68.05 33.49 27.66 0.00 0.00
95
+ ATOM 95 C PTH 1 68.05 34.49 26.66 0.00 0.00
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+ ATOM 96 C PTH 1 68.05 34.49 27.66 0.00 0.00
97
+ ATOM 97 C PTH 1 68.05 35.49 26.66 0.00 0.00
data/files/A0069/pocket_05.pdb ADDED
@@ -0,0 +1,88 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 71.05 36.49 35.66 0.00 0.00
2
+ ATOM 2 C PTH 1 71.05 36.49 36.66 0.00 0.00
3
+ ATOM 3 C PTH 1 71.05 36.49 37.66 0.00 0.00
4
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5
+ ATOM 5 C PTH 1 71.05 37.49 35.66 0.00 0.00
6
+ ATOM 6 C PTH 1 71.05 37.49 36.66 0.00 0.00
7
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8
+ ATOM 8 C PTH 1 71.05 37.49 38.66 0.00 0.00
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+ ATOM 12 C PTH 1 71.05 39.49 36.66 0.00 0.00
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14
+ ATOM 14 C PTH 1 72.05 36.49 35.66 0.00 0.00
15
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+ ATOM 16 C PTH 1 72.05 36.49 37.66 0.00 0.00
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+ ATOM 18 C PTH 1 72.05 37.49 36.66 0.00 0.00
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+ ATOM 21 C PTH 1 72.05 38.49 36.66 0.00 0.00
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+ ATOM 25 C PTH 1 72.05 39.49 36.66 0.00 0.00
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28
+ ATOM 28 C PTH 1 72.05 40.49 35.66 0.00 0.00
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30
+ ATOM 30 C PTH 1 72.05 40.49 37.66 0.00 0.00
31
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+ ATOM 32 C PTH 1 72.05 41.49 35.66 0.00 0.00
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+ ATOM 33 C PTH 1 73.05 36.49 36.66 0.00 0.00
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49
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+ ATOM 65 C PTH 1 74.05 40.49 35.66 0.00 0.00
66
+ ATOM 66 C PTH 1 74.05 40.49 36.66 0.00 0.00
67
+ ATOM 67 C PTH 1 74.05 40.49 37.66 0.00 0.00
68
+ ATOM 68 C PTH 1 74.05 40.49 38.66 0.00 0.00
69
+ ATOM 69 C PTH 1 74.05 41.49 36.66 0.00 0.00
70
+ ATOM 70 C PTH 1 75.05 37.49 36.66 0.00 0.00
71
+ ATOM 71 C PTH 1 75.05 37.49 37.66 0.00 0.00
72
+ ATOM 72 C PTH 1 75.05 37.49 38.66 0.00 0.00
73
+ ATOM 73 C PTH 1 75.05 38.49 36.66 0.00 0.00
74
+ ATOM 74 C PTH 1 75.05 38.49 37.66 0.00 0.00
75
+ ATOM 75 C PTH 1 75.05 38.49 38.66 0.00 0.00
76
+ ATOM 76 C PTH 1 75.05 39.49 35.66 0.00 0.00
77
+ ATOM 77 C PTH 1 75.05 39.49 36.66 0.00 0.00
78
+ ATOM 78 C PTH 1 75.05 39.49 37.66 0.00 0.00
79
+ ATOM 79 C PTH 1 75.05 39.49 38.66 0.00 0.00
80
+ ATOM 80 C PTH 1 75.05 40.49 36.66 0.00 0.00
81
+ ATOM 81 C PTH 1 75.05 40.49 37.66 0.00 0.00
82
+ ATOM 82 C PTH 1 75.05 41.49 36.66 0.00 0.00
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+ ATOM 83 C PTH 1 76.05 37.49 36.66 0.00 0.00
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+ ATOM 84 C PTH 1 76.05 37.49 37.66 0.00 0.00
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+ ATOM 85 C PTH 1 76.05 38.49 36.66 0.00 0.00
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+ ATOM 86 C PTH 1 76.05 38.49 37.66 0.00 0.00
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+ ATOM 87 C PTH 1 76.05 39.49 36.66 0.00 0.00
88
+ ATOM 88 C PTH 1 76.05 39.49 37.66 0.00 0.00
data/files/A0069/pocket_06.pdb ADDED
@@ -0,0 +1,87 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 66.05 20.49 35.66 0.00 0.00
2
+ ATOM 2 C PTH 1 66.05 20.49 36.66 0.00 0.00
3
+ ATOM 3 C PTH 1 66.05 20.49 37.66 0.00 0.00
4
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+ ATOM 12 C PTH 1 66.05 23.49 36.66 0.00 0.00
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+ ATOM 13 C PTH 1 66.05 23.49 37.66 0.00 0.00
14
+ ATOM 14 C PTH 1 66.05 23.49 38.66 0.00 0.00
15
+ ATOM 15 C PTH 1 66.05 24.49 36.66 0.00 0.00
16
+ ATOM 16 C PTH 1 66.05 24.49 37.66 0.00 0.00
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+ ATOM 17 C PTH 1 66.05 24.49 38.66 0.00 0.00
18
+ ATOM 18 C PTH 1 67.05 19.49 35.66 0.00 0.00
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+ ATOM 19 C PTH 1 67.05 19.49 36.66 0.00 0.00
20
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68
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69
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75
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78
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79
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80
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81
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87
+ ATOM 87 C PTH 1 70.05 23.49 38.66 0.00 0.00
data/files/A0069/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A007A/pocket_01.pdb ADDED
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1
+ ATOM 1 C PTH 1 13.85 115.55 64.91 0.00 0.00
2
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71
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72
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81
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90
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91
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92
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+ ATOM 94 C PTH 1 16.85 109.55 48.91 0.00 0.00
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101
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103
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104
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105
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106
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107
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
+ ATOM 160 C PTH 1 16.85 116.55 64.91 0.00 0.00
161
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162
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163
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164
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165
+ ATOM 165 C PTH 1 17.85 109.55 49.91 0.00 0.00
166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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228
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229
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230
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
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242
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243
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244
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245
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246
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247
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248
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249
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250
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251
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252
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253
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254
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255
+ ATOM 255 C PTH 1 18.85 107.55 52.91 0.00 0.00
256
+ ATOM 256 C PTH 1 18.85 107.55 53.91 0.00 0.00
257
+ ATOM 257 C PTH 1 18.85 108.55 52.91 0.00 0.00
258
+ ATOM 258 C PTH 1 18.85 108.55 53.91 0.00 0.00
259
+ ATOM 259 C PTH 1 18.85 108.55 54.91 0.00 0.00
260
+ ATOM 260 C PTH 1 18.85 109.55 49.91 0.00 0.00
261
+ ATOM 261 C PTH 1 18.85 109.55 50.91 0.00 0.00
262
+ ATOM 262 C PTH 1 18.85 109.55 51.91 0.00 0.00
263
+ ATOM 263 C PTH 1 18.85 109.55 52.91 0.00 0.00
264
+ ATOM 264 C PTH 1 18.85 109.55 53.91 0.00 0.00
265
+ ATOM 265 C PTH 1 18.85 109.55 54.91 0.00 0.00
266
+ ATOM 266 C PTH 1 18.85 109.55 55.91 0.00 0.00
267
+ ATOM 267 C PTH 1 18.85 109.55 58.91 0.00 0.00
268
+ ATOM 268 C PTH 1 18.85 109.55 59.91 0.00 0.00
269
+ ATOM 269 C PTH 1 18.85 109.55 60.91 0.00 0.00
270
+ ATOM 270 C PTH 1 18.85 109.55 61.91 0.00 0.00
271
+ ATOM 271 C PTH 1 18.85 109.55 62.91 0.00 0.00
272
+ ATOM 272 C PTH 1 18.85 110.55 48.91 0.00 0.00
273
+ ATOM 273 C PTH 1 18.85 110.55 49.91 0.00 0.00
274
+ ATOM 274 C PTH 1 18.85 110.55 50.91 0.00 0.00
275
+ ATOM 275 C PTH 1 18.85 110.55 51.91 0.00 0.00
276
+ ATOM 276 C PTH 1 18.85 110.55 52.91 0.00 0.00
277
+ ATOM 277 C PTH 1 18.85 110.55 53.91 0.00 0.00
278
+ ATOM 278 C PTH 1 18.85 110.55 54.91 0.00 0.00
279
+ ATOM 279 C PTH 1 18.85 110.55 55.91 0.00 0.00
280
+ ATOM 280 C PTH 1 18.85 110.55 56.91 0.00 0.00
281
+ ATOM 281 C PTH 1 18.85 110.55 57.91 0.00 0.00
282
+ ATOM 282 C PTH 1 18.85 110.55 58.91 0.00 0.00
283
+ ATOM 283 C PTH 1 18.85 110.55 59.91 0.00 0.00
284
+ ATOM 284 C PTH 1 18.85 110.55 60.91 0.00 0.00
285
+ ATOM 285 C PTH 1 18.85 110.55 61.91 0.00 0.00
286
+ ATOM 286 C PTH 1 18.85 110.55 62.91 0.00 0.00
287
+ ATOM 287 C PTH 1 18.85 110.55 63.91 0.00 0.00
288
+ ATOM 288 C PTH 1 18.85 111.55 47.91 0.00 0.00
289
+ ATOM 289 C PTH 1 18.85 111.55 48.91 0.00 0.00
290
+ ATOM 290 C PTH 1 18.85 111.55 49.91 0.00 0.00
291
+ ATOM 291 C PTH 1 18.85 111.55 50.91 0.00 0.00
292
+ ATOM 292 C PTH 1 18.85 111.55 51.91 0.00 0.00
293
+ ATOM 293 C PTH 1 18.85 111.55 52.91 0.00 0.00
294
+ ATOM 294 C PTH 1 18.85 111.55 53.91 0.00 0.00
295
+ ATOM 295 C PTH 1 18.85 111.55 54.91 0.00 0.00
296
+ ATOM 296 C PTH 1 18.85 111.55 55.91 0.00 0.00
297
+ ATOM 297 C PTH 1 18.85 111.55 56.91 0.00 0.00
298
+ ATOM 298 C PTH 1 18.85 111.55 57.91 0.00 0.00
299
+ ATOM 299 C PTH 1 18.85 111.55 58.91 0.00 0.00
300
+ ATOM 300 C PTH 1 18.85 111.55 59.91 0.00 0.00
301
+ ATOM 301 C PTH 1 18.85 111.55 60.91 0.00 0.00
302
+ ATOM 302 C PTH 1 18.85 111.55 61.91 0.00 0.00
303
+ ATOM 303 C PTH 1 18.85 111.55 62.91 0.00 0.00
304
+ ATOM 304 C PTH 1 18.85 111.55 63.91 0.00 0.00
305
+ ATOM 305 C PTH 1 18.85 111.55 64.91 0.00 0.00
306
+ ATOM 306 C PTH 1 18.85 112.55 46.91 0.00 0.00
307
+ ATOM 307 C PTH 1 18.85 112.55 47.91 0.00 0.00
308
+ ATOM 308 C PTH 1 18.85 112.55 48.91 0.00 0.00
309
+ ATOM 309 C PTH 1 18.85 112.55 49.91 0.00 0.00
310
+ ATOM 310 C PTH 1 18.85 112.55 50.91 0.00 0.00
311
+ ATOM 311 C PTH 1 18.85 112.55 51.91 0.00 0.00
312
+ ATOM 312 C PTH 1 18.85 112.55 52.91 0.00 0.00
313
+ ATOM 313 C PTH 1 18.85 112.55 53.91 0.00 0.00
314
+ ATOM 314 C PTH 1 18.85 112.55 54.91 0.00 0.00
315
+ ATOM 315 C PTH 1 18.85 112.55 55.91 0.00 0.00
316
+ ATOM 316 C PTH 1 18.85 112.55 56.91 0.00 0.00
317
+ ATOM 317 C PTH 1 18.85 112.55 57.91 0.00 0.00
318
+ ATOM 318 C PTH 1 18.85 112.55 58.91 0.00 0.00
319
+ ATOM 319 C PTH 1 18.85 112.55 59.91 0.00 0.00
320
+ ATOM 320 C PTH 1 18.85 112.55 60.91 0.00 0.00
321
+ ATOM 321 C PTH 1 18.85 112.55 61.91 0.00 0.00
322
+ ATOM 322 C PTH 1 18.85 112.55 62.91 0.00 0.00
323
+ ATOM 323 C PTH 1 18.85 112.55 63.91 0.00 0.00
324
+ ATOM 324 C PTH 1 18.85 112.55 64.91 0.00 0.00
325
+ ATOM 325 C PTH 1 18.85 113.55 46.91 0.00 0.00
326
+ ATOM 326 C PTH 1 18.85 113.55 47.91 0.00 0.00
327
+ ATOM 327 C PTH 1 18.85 113.55 48.91 0.00 0.00
328
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329
+ ATOM 329 C PTH 1 18.85 113.55 50.91 0.00 0.00
330
+ ATOM 330 C PTH 1 18.85 113.55 51.91 0.00 0.00
331
+ ATOM 331 C PTH 1 18.85 113.55 52.91 0.00 0.00
332
+ ATOM 332 C PTH 1 18.85 113.55 53.91 0.00 0.00
333
+ ATOM 333 C PTH 1 18.85 113.55 54.91 0.00 0.00
334
+ ATOM 334 C PTH 1 18.85 113.55 59.91 0.00 0.00
335
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336
+ ATOM 336 C PTH 1 18.85 113.55 61.91 0.00 0.00
337
+ ATOM 337 C PTH 1 18.85 113.55 62.91 0.00 0.00
338
+ ATOM 338 C PTH 1 18.85 113.55 63.91 0.00 0.00
339
+ ATOM 339 C PTH 1 18.85 113.55 64.91 0.00 0.00
340
+ ATOM 340 C PTH 1 18.85 114.55 46.91 0.00 0.00
341
+ ATOM 341 C PTH 1 18.85 114.55 47.91 0.00 0.00
342
+ ATOM 342 C PTH 1 18.85 114.55 48.91 0.00 0.00
343
+ ATOM 343 C PTH 1 18.85 114.55 49.91 0.00 0.00
344
+ ATOM 344 C PTH 1 18.85 114.55 50.91 0.00 0.00
345
+ ATOM 345 C PTH 1 18.85 114.55 51.91 0.00 0.00
346
+ ATOM 346 C PTH 1 18.85 114.55 52.91 0.00 0.00
347
+ ATOM 347 C PTH 1 18.85 114.55 53.91 0.00 0.00
348
+ ATOM 348 C PTH 1 18.85 114.55 60.91 0.00 0.00
349
+ ATOM 349 C PTH 1 18.85 114.55 61.91 0.00 0.00
350
+ ATOM 350 C PTH 1 18.85 114.55 62.91 0.00 0.00
351
+ ATOM 351 C PTH 1 18.85 114.55 63.91 0.00 0.00
352
+ ATOM 352 C PTH 1 18.85 114.55 64.91 0.00 0.00
353
+ ATOM 353 C PTH 1 18.85 115.55 48.91 0.00 0.00
354
+ ATOM 354 C PTH 1 18.85 115.55 49.91 0.00 0.00
355
+ ATOM 355 C PTH 1 18.85 115.55 50.91 0.00 0.00
356
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357
+ ATOM 357 C PTH 1 18.85 115.55 52.91 0.00 0.00
358
+ ATOM 358 C PTH 1 18.85 115.55 61.91 0.00 0.00
359
+ ATOM 359 C PTH 1 18.85 115.55 62.91 0.00 0.00
360
+ ATOM 360 C PTH 1 18.85 115.55 63.91 0.00 0.00
361
+ ATOM 361 C PTH 1 18.85 115.55 64.91 0.00 0.00
362
+ ATOM 362 C PTH 1 18.85 116.55 50.91 0.00 0.00
363
+ ATOM 363 C PTH 1 18.85 116.55 51.91 0.00 0.00
364
+ ATOM 364 C PTH 1 18.85 116.55 62.91 0.00 0.00
365
+ ATOM 365 C PTH 1 19.85 107.55 52.91 0.00 0.00
366
+ ATOM 366 C PTH 1 19.85 107.55 53.91 0.00 0.00
367
+ ATOM 367 C PTH 1 19.85 108.55 52.91 0.00 0.00
368
+ ATOM 368 C PTH 1 19.85 108.55 53.91 0.00 0.00
369
+ ATOM 369 C PTH 1 19.85 108.55 54.91 0.00 0.00
370
+ ATOM 370 C PTH 1 19.85 108.55 55.91 0.00 0.00
371
+ ATOM 371 C PTH 1 19.85 109.55 50.91 0.00 0.00
372
+ ATOM 372 C PTH 1 19.85 109.55 51.91 0.00 0.00
373
+ ATOM 373 C PTH 1 19.85 109.55 52.91 0.00 0.00
374
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375
+ ATOM 375 C PTH 1 19.85 109.55 54.91 0.00 0.00
376
+ ATOM 376 C PTH 1 19.85 109.55 55.91 0.00 0.00
377
+ ATOM 377 C PTH 1 19.85 109.55 56.91 0.00 0.00
378
+ ATOM 378 C PTH 1 19.85 109.55 57.91 0.00 0.00
379
+ ATOM 379 C PTH 1 19.85 109.55 58.91 0.00 0.00
380
+ ATOM 380 C PTH 1 19.85 109.55 59.91 0.00 0.00
381
+ ATOM 381 C PTH 1 19.85 109.55 60.91 0.00 0.00
382
+ ATOM 382 C PTH 1 19.85 109.55 61.91 0.00 0.00
383
+ ATOM 383 C PTH 1 19.85 110.55 49.91 0.00 0.00
384
+ ATOM 384 C PTH 1 19.85 110.55 50.91 0.00 0.00
385
+ ATOM 385 C PTH 1 19.85 110.55 51.91 0.00 0.00
386
+ ATOM 386 C PTH 1 19.85 110.55 52.91 0.00 0.00
387
+ ATOM 387 C PTH 1 19.85 110.55 53.91 0.00 0.00
388
+ ATOM 388 C PTH 1 19.85 110.55 54.91 0.00 0.00
389
+ ATOM 389 C PTH 1 19.85 110.55 55.91 0.00 0.00
390
+ ATOM 390 C PTH 1 19.85 110.55 56.91 0.00 0.00
391
+ ATOM 391 C PTH 1 19.85 110.55 57.91 0.00 0.00
392
+ ATOM 392 C PTH 1 19.85 110.55 58.91 0.00 0.00
393
+ ATOM 393 C PTH 1 19.85 110.55 59.91 0.00 0.00
394
+ ATOM 394 C PTH 1 19.85 110.55 60.91 0.00 0.00
395
+ ATOM 395 C PTH 1 19.85 110.55 61.91 0.00 0.00
396
+ ATOM 396 C PTH 1 19.85 110.55 62.91 0.00 0.00
397
+ ATOM 397 C PTH 1 19.85 110.55 63.91 0.00 0.00
398
+ ATOM 398 C PTH 1 19.85 111.55 48.91 0.00 0.00
399
+ ATOM 399 C PTH 1 19.85 111.55 49.91 0.00 0.00
400
+ ATOM 400 C PTH 1 19.85 111.55 50.91 0.00 0.00
401
+ ATOM 401 C PTH 1 19.85 111.55 51.91 0.00 0.00
402
+ ATOM 402 C PTH 1 19.85 111.55 52.91 0.00 0.00
403
+ ATOM 403 C PTH 1 19.85 111.55 53.91 0.00 0.00
404
+ ATOM 404 C PTH 1 19.85 111.55 54.91 0.00 0.00
405
+ ATOM 405 C PTH 1 19.85 111.55 55.91 0.00 0.00
406
+ ATOM 406 C PTH 1 19.85 111.55 56.91 0.00 0.00
407
+ ATOM 407 C PTH 1 19.85 111.55 57.91 0.00 0.00
408
+ ATOM 408 C PTH 1 19.85 111.55 58.91 0.00 0.00
409
+ ATOM 409 C PTH 1 19.85 111.55 59.91 0.00 0.00
410
+ ATOM 410 C PTH 1 19.85 111.55 60.91 0.00 0.00
411
+ ATOM 411 C PTH 1 19.85 111.55 61.91 0.00 0.00
412
+ ATOM 412 C PTH 1 19.85 111.55 62.91 0.00 0.00
413
+ ATOM 413 C PTH 1 19.85 111.55 63.91 0.00 0.00
414
+ ATOM 414 C PTH 1 19.85 112.55 47.91 0.00 0.00
415
+ ATOM 415 C PTH 1 19.85 112.55 48.91 0.00 0.00
416
+ ATOM 416 C PTH 1 19.85 112.55 49.91 0.00 0.00
417
+ ATOM 417 C PTH 1 19.85 112.55 50.91 0.00 0.00
418
+ ATOM 418 C PTH 1 19.85 112.55 51.91 0.00 0.00
419
+ ATOM 419 C PTH 1 19.85 112.55 52.91 0.00 0.00
420
+ ATOM 420 C PTH 1 19.85 112.55 53.91 0.00 0.00
421
+ ATOM 421 C PTH 1 19.85 112.55 54.91 0.00 0.00
422
+ ATOM 422 C PTH 1 19.85 112.55 55.91 0.00 0.00
423
+ ATOM 423 C PTH 1 19.85 112.55 56.91 0.00 0.00
424
+ ATOM 424 C PTH 1 19.85 112.55 57.91 0.00 0.00
425
+ ATOM 425 C PTH 1 19.85 112.55 58.91 0.00 0.00
426
+ ATOM 426 C PTH 1 19.85 112.55 59.91 0.00 0.00
427
+ ATOM 427 C PTH 1 19.85 112.55 60.91 0.00 0.00
428
+ ATOM 428 C PTH 1 19.85 112.55 61.91 0.00 0.00
429
+ ATOM 429 C PTH 1 19.85 112.55 62.91 0.00 0.00
430
+ ATOM 430 C PTH 1 19.85 112.55 63.91 0.00 0.00
431
+ ATOM 431 C PTH 1 19.85 112.55 64.91 0.00 0.00
432
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433
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434
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435
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436
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437
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438
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439
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440
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441
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442
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443
+ ATOM 443 C PTH 1 19.85 113.55 58.91 0.00 0.00
444
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445
+ ATOM 445 C PTH 1 19.85 113.55 60.91 0.00 0.00
446
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447
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448
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449
+ ATOM 449 C PTH 1 19.85 113.55 64.91 0.00 0.00
450
+ ATOM 450 C PTH 1 19.85 114.55 48.91 0.00 0.00
451
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452
+ ATOM 452 C PTH 1 19.85 114.55 50.91 0.00 0.00
453
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454
+ ATOM 454 C PTH 1 19.85 114.55 52.91 0.00 0.00
455
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456
+ ATOM 456 C PTH 1 19.85 114.55 54.91 0.00 0.00
457
+ ATOM 457 C PTH 1 19.85 114.55 55.91 0.00 0.00
458
+ ATOM 458 C PTH 1 19.85 114.55 60.91 0.00 0.00
459
+ ATOM 459 C PTH 1 19.85 114.55 61.91 0.00 0.00
460
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461
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462
+ ATOM 462 C PTH 1 19.85 115.55 49.91 0.00 0.00
463
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464
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465
+ ATOM 465 C PTH 1 19.85 115.55 52.91 0.00 0.00
466
+ ATOM 466 C PTH 1 19.85 115.55 53.91 0.00 0.00
467
+ ATOM 467 C PTH 1 19.85 115.55 54.91 0.00 0.00
468
+ ATOM 468 C PTH 1 19.85 115.55 62.91 0.00 0.00
469
+ ATOM 469 C PTH 1 19.85 115.55 63.91 0.00 0.00
470
+ ATOM 470 C PTH 1 19.85 116.55 51.91 0.00 0.00
471
+ ATOM 471 C PTH 1 19.85 116.55 53.91 0.00 0.00
472
+ ATOM 472 C PTH 1 19.85 116.55 54.91 0.00 0.00
473
+ ATOM 473 C PTH 1 20.85 107.55 52.91 0.00 0.00
474
+ ATOM 474 C PTH 1 20.85 107.55 53.91 0.00 0.00
475
+ ATOM 475 C PTH 1 20.85 108.55 52.91 0.00 0.00
476
+ ATOM 476 C PTH 1 20.85 108.55 53.91 0.00 0.00
477
+ ATOM 477 C PTH 1 20.85 108.55 54.91 0.00 0.00
478
+ ATOM 478 C PTH 1 20.85 108.55 55.91 0.00 0.00
479
+ ATOM 479 C PTH 1 20.85 108.55 59.91 0.00 0.00
480
+ ATOM 480 C PTH 1 20.85 108.55 60.91 0.00 0.00
481
+ ATOM 481 C PTH 1 20.85 108.55 61.91 0.00 0.00
482
+ ATOM 482 C PTH 1 20.85 109.55 53.91 0.00 0.00
483
+ ATOM 483 C PTH 1 20.85 109.55 54.91 0.00 0.00
484
+ ATOM 484 C PTH 1 20.85 109.55 55.91 0.00 0.00
485
+ ATOM 485 C PTH 1 20.85 109.55 56.91 0.00 0.00
486
+ ATOM 486 C PTH 1 20.85 109.55 57.91 0.00 0.00
487
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488
+ ATOM 488 C PTH 1 20.85 109.55 59.91 0.00 0.00
489
+ ATOM 489 C PTH 1 20.85 109.55 60.91 0.00 0.00
490
+ ATOM 490 C PTH 1 20.85 109.55 61.91 0.00 0.00
491
+ ATOM 491 C PTH 1 20.85 110.55 53.91 0.00 0.00
492
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493
+ ATOM 493 C PTH 1 20.85 110.55 55.91 0.00 0.00
494
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495
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496
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497
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498
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499
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500
+ ATOM 500 C PTH 1 20.85 110.55 62.91 0.00 0.00
501
+ ATOM 501 C PTH 1 20.85 111.55 51.91 0.00 0.00
502
+ ATOM 502 C PTH 1 20.85 111.55 52.91 0.00 0.00
503
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504
+ ATOM 504 C PTH 1 20.85 111.55 54.91 0.00 0.00
505
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506
+ ATOM 506 C PTH 1 20.85 111.55 56.91 0.00 0.00
507
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508
+ ATOM 508 C PTH 1 20.85 111.55 58.91 0.00 0.00
509
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510
+ ATOM 510 C PTH 1 20.85 111.55 60.91 0.00 0.00
511
+ ATOM 511 C PTH 1 20.85 111.55 61.91 0.00 0.00
512
+ ATOM 512 C PTH 1 20.85 111.55 62.91 0.00 0.00
513
+ ATOM 513 C PTH 1 20.85 112.55 49.91 0.00 0.00
514
+ ATOM 514 C PTH 1 20.85 112.55 50.91 0.00 0.00
515
+ ATOM 515 C PTH 1 20.85 112.55 51.91 0.00 0.00
516
+ ATOM 516 C PTH 1 20.85 112.55 52.91 0.00 0.00
517
+ ATOM 517 C PTH 1 20.85 112.55 53.91 0.00 0.00
518
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519
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520
+ ATOM 520 C PTH 1 20.85 112.55 56.91 0.00 0.00
521
+ ATOM 521 C PTH 1 20.85 112.55 57.91 0.00 0.00
522
+ ATOM 522 C PTH 1 20.85 112.55 58.91 0.00 0.00
523
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524
+ ATOM 524 C PTH 1 20.85 112.55 60.91 0.00 0.00
525
+ ATOM 525 C PTH 1 20.85 112.55 61.91 0.00 0.00
526
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527
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528
+ ATOM 528 C PTH 1 20.85 113.55 50.91 0.00 0.00
529
+ ATOM 529 C PTH 1 20.85 113.55 51.91 0.00 0.00
530
+ ATOM 530 C PTH 1 20.85 113.55 52.91 0.00 0.00
531
+ ATOM 531 C PTH 1 20.85 113.55 53.91 0.00 0.00
532
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533
+ ATOM 533 C PTH 1 20.85 113.55 55.91 0.00 0.00
534
+ ATOM 534 C PTH 1 20.85 113.55 56.91 0.00 0.00
535
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536
+ ATOM 536 C PTH 1 20.85 113.55 58.91 0.00 0.00
537
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538
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539
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540
+ ATOM 540 C PTH 1 20.85 113.55 62.91 0.00 0.00
541
+ ATOM 541 C PTH 1 20.85 114.55 49.91 0.00 0.00
542
+ ATOM 542 C PTH 1 20.85 114.55 50.91 0.00 0.00
543
+ ATOM 543 C PTH 1 20.85 114.55 51.91 0.00 0.00
544
+ ATOM 544 C PTH 1 20.85 114.55 52.91 0.00 0.00
545
+ ATOM 545 C PTH 1 20.85 114.55 53.91 0.00 0.00
546
+ ATOM 546 C PTH 1 20.85 114.55 54.91 0.00 0.00
547
+ ATOM 547 C PTH 1 20.85 114.55 55.91 0.00 0.00
548
+ ATOM 548 C PTH 1 20.85 114.55 56.91 0.00 0.00
549
+ ATOM 549 C PTH 1 20.85 115.55 50.91 0.00 0.00
550
+ ATOM 550 C PTH 1 20.85 115.55 51.91 0.00 0.00
551
+ ATOM 551 C PTH 1 20.85 115.55 52.91 0.00 0.00
552
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553
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554
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555
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556
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557
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558
+ ATOM 558 C PTH 1 20.85 116.55 52.91 0.00 0.00
559
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560
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561
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562
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563
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564
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565
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566
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567
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568
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569
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570
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571
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572
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573
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574
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575
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576
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577
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578
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579
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580
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581
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582
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583
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584
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585
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586
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587
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588
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589
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590
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591
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592
+ ATOM 592 C PTH 1 21.85 110.55 62.91 0.00 0.00
593
+ ATOM 593 C PTH 1 21.85 111.55 52.91 0.00 0.00
594
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595
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596
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597
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598
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599
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600
+ ATOM 600 C PTH 1 21.85 111.55 59.91 0.00 0.00
601
+ ATOM 601 C PTH 1 21.85 111.55 60.91 0.00 0.00
602
+ ATOM 602 C PTH 1 21.85 111.55 61.91 0.00 0.00
603
+ ATOM 603 C PTH 1 21.85 111.55 62.91 0.00 0.00
604
+ ATOM 604 C PTH 1 21.85 112.55 52.91 0.00 0.00
605
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606
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607
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608
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609
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610
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611
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612
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613
+ ATOM 613 C PTH 1 21.85 112.55 61.91 0.00 0.00
614
+ ATOM 614 C PTH 1 21.85 113.55 51.91 0.00 0.00
615
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616
+ ATOM 616 C PTH 1 21.85 113.55 53.91 0.00 0.00
617
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618
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619
+ ATOM 619 C PTH 1 21.85 113.55 56.91 0.00 0.00
620
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621
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622
+ ATOM 622 C PTH 1 21.85 114.55 50.91 0.00 0.00
623
+ ATOM 623 C PTH 1 21.85 114.55 51.91 0.00 0.00
624
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625
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626
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627
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628
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629
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630
+ ATOM 630 C PTH 1 21.85 115.55 50.91 0.00 0.00
631
+ ATOM 631 C PTH 1 21.85 115.55 51.91 0.00 0.00
632
+ ATOM 632 C PTH 1 21.85 115.55 52.91 0.00 0.00
633
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634
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635
+ ATOM 635 C PTH 1 21.85 115.55 55.91 0.00 0.00
636
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637
+ ATOM 637 C PTH 1 21.85 116.55 51.91 0.00 0.00
638
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639
+ ATOM 639 C PTH 1 21.85 116.55 53.91 0.00 0.00
640
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641
+ ATOM 641 C PTH 1 21.85 116.55 55.91 0.00 0.00
642
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643
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644
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645
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646
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647
+ ATOM 647 C PTH 1 22.85 108.55 53.91 0.00 0.00
648
+ ATOM 648 C PTH 1 22.85 108.55 54.91 0.00 0.00
649
+ ATOM 649 C PTH 1 22.85 108.55 55.91 0.00 0.00
650
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651
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652
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653
+ ATOM 653 C PTH 1 22.85 109.55 55.91 0.00 0.00
654
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655
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656
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657
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658
+ ATOM 658 C PTH 1 22.85 109.55 60.91 0.00 0.00
659
+ ATOM 659 C PTH 1 22.85 109.55 61.91 0.00 0.00
660
+ ATOM 660 C PTH 1 22.85 110.55 53.91 0.00 0.00
661
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662
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663
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664
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665
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666
+ ATOM 666 C PTH 1 22.85 110.55 59.91 0.00 0.00
667
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668
+ ATOM 668 C PTH 1 22.85 110.55 61.91 0.00 0.00
669
+ ATOM 669 C PTH 1 22.85 111.55 53.91 0.00 0.00
670
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671
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672
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673
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674
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675
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676
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677
+ ATOM 677 C PTH 1 22.85 111.55 61.91 0.00 0.00
678
+ ATOM 678 C PTH 1 22.85 112.55 52.91 0.00 0.00
679
+ ATOM 679 C PTH 1 22.85 112.55 53.91 0.00 0.00
680
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681
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682
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683
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684
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685
+ ATOM 685 C PTH 1 22.85 112.55 59.91 0.00 0.00
686
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687
+ ATOM 687 C PTH 1 22.85 112.55 61.91 0.00 0.00
688
+ ATOM 688 C PTH 1 22.85 113.55 52.91 0.00 0.00
689
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690
+ ATOM 690 C PTH 1 22.85 113.55 54.91 0.00 0.00
691
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692
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693
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694
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695
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696
+ ATOM 696 C PTH 1 22.85 114.55 50.91 0.00 0.00
697
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698
+ ATOM 698 C PTH 1 22.85 114.55 52.91 0.00 0.00
699
+ ATOM 699 C PTH 1 22.85 114.55 53.91 0.00 0.00
700
+ ATOM 700 C PTH 1 22.85 114.55 54.91 0.00 0.00
701
+ ATOM 701 C PTH 1 22.85 114.55 55.91 0.00 0.00
702
+ ATOM 702 C PTH 1 22.85 114.55 56.91 0.00 0.00
703
+ ATOM 703 C PTH 1 22.85 114.55 57.91 0.00 0.00
704
+ ATOM 704 C PTH 1 22.85 114.55 58.91 0.00 0.00
705
+ ATOM 705 C PTH 1 22.85 115.55 50.91 0.00 0.00
706
+ ATOM 706 C PTH 1 22.85 115.55 51.91 0.00 0.00
707
+ ATOM 707 C PTH 1 22.85 115.55 52.91 0.00 0.00
708
+ ATOM 708 C PTH 1 22.85 115.55 53.91 0.00 0.00
709
+ ATOM 709 C PTH 1 22.85 115.55 54.91 0.00 0.00
710
+ ATOM 710 C PTH 1 22.85 115.55 55.91 0.00 0.00
711
+ ATOM 711 C PTH 1 22.85 115.55 56.91 0.00 0.00
712
+ ATOM 712 C PTH 1 22.85 115.55 57.91 0.00 0.00
713
+ ATOM 713 C PTH 1 22.85 116.55 51.91 0.00 0.00
714
+ ATOM 714 C PTH 1 22.85 116.55 52.91 0.00 0.00
715
+ ATOM 715 C PTH 1 22.85 116.55 53.91 0.00 0.00
716
+ ATOM 716 C PTH 1 22.85 116.55 54.91 0.00 0.00
717
+ ATOM 717 C PTH 1 22.85 116.55 55.91 0.00 0.00
718
+ ATOM 718 C PTH 1 22.85 116.55 56.91 0.00 0.00
719
+ ATOM 719 C PTH 1 22.85 117.55 52.91 0.00 0.00
720
+ ATOM 720 C PTH 1 22.85 117.55 53.91 0.00 0.00
721
+ ATOM 721 C PTH 1 22.85 117.55 54.91 0.00 0.00
722
+ ATOM 722 C PTH 1 22.85 117.55 55.91 0.00 0.00
723
+ ATOM 723 C PTH 1 22.85 117.55 56.91 0.00 0.00
724
+ ATOM 724 C PTH 1 23.85 108.55 53.91 0.00 0.00
725
+ ATOM 725 C PTH 1 23.85 108.55 54.91 0.00 0.00
726
+ ATOM 726 C PTH 1 23.85 108.55 55.91 0.00 0.00
727
+ ATOM 727 C PTH 1 23.85 108.55 56.91 0.00 0.00
728
+ ATOM 728 C PTH 1 23.85 109.55 53.91 0.00 0.00
729
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730
+ ATOM 730 C PTH 1 23.85 109.55 55.91 0.00 0.00
731
+ ATOM 731 C PTH 1 23.85 109.55 56.91 0.00 0.00
732
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733
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734
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735
+ ATOM 735 C PTH 1 23.85 110.55 55.91 0.00 0.00
736
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737
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738
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739
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740
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741
+ ATOM 741 C PTH 1 23.85 110.55 61.91 0.00 0.00
742
+ ATOM 742 C PTH 1 23.85 111.55 53.91 0.00 0.00
743
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744
+ ATOM 744 C PTH 1 23.85 111.55 55.91 0.00 0.00
745
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746
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747
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748
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749
+ ATOM 749 C PTH 1 23.85 111.55 60.91 0.00 0.00
750
+ ATOM 750 C PTH 1 23.85 112.55 52.91 0.00 0.00
751
+ ATOM 751 C PTH 1 23.85 112.55 53.91 0.00 0.00
752
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753
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754
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755
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756
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757
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758
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759
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760
+ ATOM 760 C PTH 1 23.85 113.55 53.91 0.00 0.00
761
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762
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763
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764
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765
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766
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767
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768
+ ATOM 768 C PTH 1 23.85 114.55 51.91 0.00 0.00
769
+ ATOM 769 C PTH 1 23.85 114.55 52.91 0.00 0.00
770
+ ATOM 770 C PTH 1 23.85 114.55 53.91 0.00 0.00
771
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772
+ ATOM 772 C PTH 1 23.85 114.55 55.91 0.00 0.00
773
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774
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775
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776
+ ATOM 776 C PTH 1 23.85 115.55 51.91 0.00 0.00
777
+ ATOM 777 C PTH 1 23.85 115.55 52.91 0.00 0.00
778
+ ATOM 778 C PTH 1 23.85 115.55 53.91 0.00 0.00
779
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780
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781
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782
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783
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784
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785
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786
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787
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788
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789
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790
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791
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792
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793
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794
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795
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796
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797
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798
+ ATOM 798 C PTH 1 24.85 109.55 52.91 0.00 0.00
799
+ ATOM 799 C PTH 1 24.85 109.55 53.91 0.00 0.00
800
+ ATOM 800 C PTH 1 24.85 109.55 54.91 0.00 0.00
801
+ ATOM 801 C PTH 1 24.85 109.55 55.91 0.00 0.00
802
+ ATOM 802 C PTH 1 24.85 109.55 56.91 0.00 0.00
803
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804
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805
+ ATOM 805 C PTH 1 24.85 110.55 54.91 0.00 0.00
806
+ ATOM 806 C PTH 1 24.85 110.55 55.91 0.00 0.00
807
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808
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809
+ ATOM 809 C PTH 1 24.85 111.55 53.91 0.00 0.00
810
+ ATOM 810 C PTH 1 24.85 111.55 54.91 0.00 0.00
811
+ ATOM 811 C PTH 1 24.85 111.55 55.91 0.00 0.00
812
+ ATOM 812 C PTH 1 24.85 111.55 56.91 0.00 0.00
813
+ ATOM 813 C PTH 1 24.85 111.55 57.91 0.00 0.00
814
+ ATOM 814 C PTH 1 24.85 111.55 58.91 0.00 0.00
815
+ ATOM 815 C PTH 1 24.85 111.55 59.91 0.00 0.00
816
+ ATOM 816 C PTH 1 24.85 112.55 53.91 0.00 0.00
817
+ ATOM 817 C PTH 1 24.85 112.55 54.91 0.00 0.00
818
+ ATOM 818 C PTH 1 24.85 112.55 55.91 0.00 0.00
819
+ ATOM 819 C PTH 1 24.85 112.55 56.91 0.00 0.00
820
+ ATOM 820 C PTH 1 24.85 112.55 57.91 0.00 0.00
821
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822
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823
+ ATOM 823 C PTH 1 24.85 113.55 52.91 0.00 0.00
824
+ ATOM 824 C PTH 1 24.85 113.55 53.91 0.00 0.00
825
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826
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827
+ ATOM 827 C PTH 1 24.85 113.55 56.91 0.00 0.00
828
+ ATOM 828 C PTH 1 24.85 113.55 57.91 0.00 0.00
829
+ ATOM 829 C PTH 1 24.85 113.55 58.91 0.00 0.00
830
+ ATOM 830 C PTH 1 24.85 113.55 59.91 0.00 0.00
831
+ ATOM 831 C PTH 1 24.85 114.55 51.91 0.00 0.00
832
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833
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834
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835
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836
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837
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838
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839
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840
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841
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842
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844
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845
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846
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848
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849
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850
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853
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854
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855
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859
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860
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861
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862
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863
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864
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865
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866
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867
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868
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869
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870
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871
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872
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873
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876
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877
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881
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883
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885
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886
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888
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889
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890
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891
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893
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894
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895
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896
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897
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898
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899
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900
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901
+ ATOM 901 C PTH 1 26.85 116.55 52.91 0.00 0.00
902
+ ATOM 902 C PTH 1 26.85 116.55 53.91 0.00 0.00
data/files/A007A/pocket_02.pdb ADDED
@@ -0,0 +1,177 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 25.85 107.55 52.91 0.00 0.00
2
+ ATOM 2 C PTH 1 25.85 107.55 53.91 0.00 0.00
3
+ ATOM 3 C PTH 1 25.85 107.55 54.91 0.00 0.00
4
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7
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8
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9
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10
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11
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13
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14
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15
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16
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17
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18
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19
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20
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21
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24
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25
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26
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27
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28
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29
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30
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31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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48
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50
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51
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52
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53
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54
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55
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56
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57
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58
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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77
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78
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79
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80
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85
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86
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87
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89
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90
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91
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92
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93
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95
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96
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97
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98
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99
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100
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102
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105
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106
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111
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148
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150
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155
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156
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157
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168
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169
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170
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171
+ ATOM 171 C PTH 1 31.85 108.55 53.91 0.00 0.00
172
+ ATOM 172 C PTH 1 31.85 108.55 54.91 0.00 0.00
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174
+ ATOM 174 C PTH 1 31.85 108.55 56.91 0.00 0.00
175
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+ ATOM 176 C PTH 1 32.85 107.55 55.91 0.00 0.00
177
+ ATOM 177 C PTH 1 32.85 107.55 56.91 0.00 0.00
data/files/A007A/pocket_03.pdb ADDED
@@ -0,0 +1,135 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 43.85 94.55 51.91 0.00 0.00
2
+ ATOM 2 C PTH 1 43.85 94.55 52.91 0.00 0.00
3
+ ATOM 3 C PTH 1 43.85 95.55 50.91 0.00 0.00
4
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6
+ ATOM 6 C PTH 1 43.85 96.55 49.91 0.00 0.00
7
+ ATOM 7 C PTH 1 43.85 96.55 50.91 0.00 0.00
8
+ ATOM 8 C PTH 1 43.85 96.55 51.91 0.00 0.00
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10
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12
+ ATOM 12 C PTH 1 43.85 97.55 51.91 0.00 0.00
13
+ ATOM 13 C PTH 1 43.85 97.55 52.91 0.00 0.00
14
+ ATOM 14 C PTH 1 43.85 97.55 53.91 0.00 0.00
15
+ ATOM 15 C PTH 1 44.85 94.55 49.91 0.00 0.00
16
+ ATOM 16 C PTH 1 44.85 94.55 50.91 0.00 0.00
17
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18
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20
+ ATOM 20 C PTH 1 44.85 95.55 49.91 0.00 0.00
21
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22
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23
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24
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25
+ ATOM 25 C PTH 1 44.85 96.55 49.91 0.00 0.00
26
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27
+ ATOM 27 C PTH 1 44.85 96.55 51.91 0.00 0.00
28
+ ATOM 28 C PTH 1 44.85 96.55 52.91 0.00 0.00
29
+ ATOM 29 C PTH 1 44.85 96.55 53.91 0.00 0.00
30
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31
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32
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33
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34
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35
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36
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37
+ ATOM 37 C PTH 1 45.85 93.55 48.91 0.00 0.00
38
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75
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128
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131
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135
+ ATOM 135 C PTH 1 49.85 96.55 52.91 0.00 0.00
data/files/A007A/pocket_04.pdb ADDED
@@ -0,0 +1,80 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 16.85 96.55 60.91 0.00 0.00
2
+ ATOM 2 C PTH 1 16.85 96.55 61.91 0.00 0.00
3
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80
+ ATOM 80 C PTH 1 20.85 96.55 60.91 0.00 0.00
data/files/A007A/pocket_05.pdb ADDED
@@ -0,0 +1,73 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 5.85 102.55 59.91 0.00 0.00
2
+ ATOM 2 C PTH 1 5.85 102.55 60.91 0.00 0.00
3
+ ATOM 3 C PTH 1 5.85 103.55 59.91 0.00 0.00
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+ ATOM 12 C PTH 1 6.85 102.55 59.91 0.00 0.00
13
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+ ATOM 25 C PTH 1 7.85 102.55 59.91 0.00 0.00
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68
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69
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70
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71
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+ ATOM 72 C PTH 1 10.85 105.55 60.91 0.00 0.00
73
+ ATOM 73 C PTH 1 10.85 105.55 61.91 0.00 0.00
data/files/A007A/pocket_06.pdb ADDED
@@ -0,0 +1,66 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 23.85 86.55 38.91 0.00 0.00
2
+ ATOM 2 C PTH 1 23.85 86.55 39.91 0.00 0.00
3
+ ATOM 3 C PTH 1 23.85 87.55 38.91 0.00 0.00
4
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5
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6
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7
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10
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11
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12
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13
+ ATOM 13 C PTH 1 24.85 85.55 40.91 0.00 0.00
14
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15
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16
+ ATOM 16 C PTH 1 24.85 86.55 40.91 0.00 0.00
17
+ ATOM 17 C PTH 1 24.85 87.55 37.91 0.00 0.00
18
+ ATOM 18 C PTH 1 24.85 87.55 38.91 0.00 0.00
19
+ ATOM 19 C PTH 1 24.85 87.55 39.91 0.00 0.00
20
+ ATOM 20 C PTH 1 24.85 87.55 40.91 0.00 0.00
21
+ ATOM 21 C PTH 1 24.85 88.55 37.91 0.00 0.00
22
+ ATOM 22 C PTH 1 24.85 88.55 38.91 0.00 0.00
23
+ ATOM 23 C PTH 1 24.85 88.55 39.91 0.00 0.00
24
+ ATOM 24 C PTH 1 24.85 88.55 40.91 0.00 0.00
25
+ ATOM 25 C PTH 1 24.85 89.55 37.91 0.00 0.00
26
+ ATOM 26 C PTH 1 24.85 89.55 38.91 0.00 0.00
27
+ ATOM 27 C PTH 1 24.85 89.55 39.91 0.00 0.00
28
+ ATOM 28 C PTH 1 25.85 84.55 38.91 0.00 0.00
29
+ ATOM 29 C PTH 1 25.85 84.55 39.91 0.00 0.00
30
+ ATOM 30 C PTH 1 25.85 84.55 40.91 0.00 0.00
31
+ ATOM 31 C PTH 1 25.85 85.55 38.91 0.00 0.00
32
+ ATOM 32 C PTH 1 25.85 85.55 39.91 0.00 0.00
33
+ ATOM 33 C PTH 1 25.85 85.55 40.91 0.00 0.00
34
+ ATOM 34 C PTH 1 25.85 86.55 37.91 0.00 0.00
35
+ ATOM 35 C PTH 1 25.85 86.55 38.91 0.00 0.00
36
+ ATOM 36 C PTH 1 25.85 86.55 39.91 0.00 0.00
37
+ ATOM 37 C PTH 1 25.85 86.55 40.91 0.00 0.00
38
+ ATOM 38 C PTH 1 25.85 87.55 37.91 0.00 0.00
39
+ ATOM 39 C PTH 1 25.85 87.55 38.91 0.00 0.00
40
+ ATOM 40 C PTH 1 25.85 87.55 39.91 0.00 0.00
41
+ ATOM 41 C PTH 1 25.85 87.55 40.91 0.00 0.00
42
+ ATOM 42 C PTH 1 25.85 88.55 37.91 0.00 0.00
43
+ ATOM 43 C PTH 1 25.85 88.55 38.91 0.00 0.00
44
+ ATOM 44 C PTH 1 25.85 88.55 39.91 0.00 0.00
45
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46
+ ATOM 46 C PTH 1 25.85 89.55 37.91 0.00 0.00
47
+ ATOM 47 C PTH 1 25.85 89.55 38.91 0.00 0.00
48
+ ATOM 48 C PTH 1 25.85 89.55 39.91 0.00 0.00
49
+ ATOM 49 C PTH 1 26.85 84.55 39.91 0.00 0.00
50
+ ATOM 50 C PTH 1 26.85 84.55 40.91 0.00 0.00
51
+ ATOM 51 C PTH 1 26.85 85.55 38.91 0.00 0.00
52
+ ATOM 52 C PTH 1 26.85 85.55 39.91 0.00 0.00
53
+ ATOM 53 C PTH 1 26.85 85.55 40.91 0.00 0.00
54
+ ATOM 54 C PTH 1 26.85 86.55 38.91 0.00 0.00
55
+ ATOM 55 C PTH 1 26.85 86.55 39.91 0.00 0.00
56
+ ATOM 56 C PTH 1 26.85 86.55 40.91 0.00 0.00
57
+ ATOM 57 C PTH 1 26.85 87.55 38.91 0.00 0.00
58
+ ATOM 58 C PTH 1 26.85 87.55 39.91 0.00 0.00
59
+ ATOM 59 C PTH 1 26.85 87.55 40.91 0.00 0.00
60
+ ATOM 60 C PTH 1 26.85 88.55 38.91 0.00 0.00
61
+ ATOM 61 C PTH 1 26.85 88.55 39.91 0.00 0.00
62
+ ATOM 62 C PTH 1 26.85 88.55 40.91 0.00 0.00
63
+ ATOM 63 C PTH 1 26.85 89.55 38.91 0.00 0.00
64
+ ATOM 64 C PTH 1 26.85 89.55 39.91 0.00 0.00
65
+ ATOM 65 C PTH 1 27.85 87.55 39.91 0.00 0.00
66
+ ATOM 66 C PTH 1 27.85 88.55 39.91 0.00 0.00
data/files/A007A/pocket_07.pdb ADDED
@@ -0,0 +1,51 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 30.85 118.55 65.91 0.00 0.00
2
+ ATOM 2 C PTH 1 30.85 118.55 66.91 0.00 0.00
3
+ ATOM 3 C PTH 1 30.85 118.55 67.91 0.00 0.00
4
+ ATOM 4 C PTH 1 30.85 118.55 68.91 0.00 0.00
5
+ ATOM 5 C PTH 1 30.85 119.55 65.91 0.00 0.00
6
+ ATOM 6 C PTH 1 30.85 119.55 66.91 0.00 0.00
7
+ ATOM 7 C PTH 1 30.85 119.55 67.91 0.00 0.00
8
+ ATOM 8 C PTH 1 30.85 120.55 66.91 0.00 0.00
9
+ ATOM 9 C PTH 1 31.85 116.55 66.91 0.00 0.00
10
+ ATOM 10 C PTH 1 31.85 117.55 65.91 0.00 0.00
11
+ ATOM 11 C PTH 1 31.85 117.55 66.91 0.00 0.00
12
+ ATOM 12 C PTH 1 31.85 117.55 67.91 0.00 0.00
13
+ ATOM 13 C PTH 1 31.85 117.55 68.91 0.00 0.00
14
+ ATOM 14 C PTH 1 31.85 118.55 65.91 0.00 0.00
15
+ ATOM 15 C PTH 1 31.85 118.55 66.91 0.00 0.00
16
+ ATOM 16 C PTH 1 31.85 118.55 67.91 0.00 0.00
17
+ ATOM 17 C PTH 1 31.85 118.55 68.91 0.00 0.00
18
+ ATOM 18 C PTH 1 31.85 119.55 65.91 0.00 0.00
19
+ ATOM 19 C PTH 1 31.85 119.55 66.91 0.00 0.00
20
+ ATOM 20 C PTH 1 31.85 119.55 67.91 0.00 0.00
21
+ ATOM 21 C PTH 1 31.85 119.55 68.91 0.00 0.00
22
+ ATOM 22 C PTH 1 31.85 120.55 66.91 0.00 0.00
23
+ ATOM 23 C PTH 1 31.85 120.55 67.91 0.00 0.00
24
+ ATOM 24 C PTH 1 32.85 116.55 66.91 0.00 0.00
25
+ ATOM 25 C PTH 1 32.85 117.55 65.91 0.00 0.00
26
+ ATOM 26 C PTH 1 32.85 117.55 66.91 0.00 0.00
27
+ ATOM 27 C PTH 1 32.85 117.55 67.91 0.00 0.00
28
+ ATOM 28 C PTH 1 32.85 117.55 68.91 0.00 0.00
29
+ ATOM 29 C PTH 1 32.85 118.55 64.91 0.00 0.00
30
+ ATOM 30 C PTH 1 32.85 118.55 65.91 0.00 0.00
31
+ ATOM 31 C PTH 1 32.85 118.55 66.91 0.00 0.00
32
+ ATOM 32 C PTH 1 32.85 118.55 67.91 0.00 0.00
33
+ ATOM 33 C PTH 1 32.85 118.55 68.91 0.00 0.00
34
+ ATOM 34 C PTH 1 32.85 119.55 65.91 0.00 0.00
35
+ ATOM 35 C PTH 1 32.85 119.55 66.91 0.00 0.00
36
+ ATOM 36 C PTH 1 32.85 119.55 67.91 0.00 0.00
37
+ ATOM 37 C PTH 1 32.85 119.55 68.91 0.00 0.00
38
+ ATOM 38 C PTH 1 32.85 120.55 66.91 0.00 0.00
39
+ ATOM 39 C PTH 1 32.85 120.55 67.91 0.00 0.00
40
+ ATOM 40 C PTH 1 33.85 117.55 65.91 0.00 0.00
41
+ ATOM 41 C PTH 1 33.85 117.55 66.91 0.00 0.00
42
+ ATOM 42 C PTH 1 33.85 117.55 67.91 0.00 0.00
43
+ ATOM 43 C PTH 1 33.85 117.55 68.91 0.00 0.00
44
+ ATOM 44 C PTH 1 33.85 118.55 65.91 0.00 0.00
45
+ ATOM 45 C PTH 1 33.85 118.55 66.91 0.00 0.00
46
+ ATOM 46 C PTH 1 33.85 118.55 67.91 0.00 0.00
47
+ ATOM 47 C PTH 1 33.85 118.55 68.91 0.00 0.00
48
+ ATOM 48 C PTH 1 33.85 119.55 65.91 0.00 0.00
49
+ ATOM 49 C PTH 1 33.85 119.55 66.91 0.00 0.00
50
+ ATOM 50 C PTH 1 33.85 119.55 67.91 0.00 0.00
51
+ ATOM 51 C PTH 1 33.85 119.55 68.91 0.00 0.00
data/files/A007A/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A007L/pocket_01.pdb ADDED
@@ -0,0 +1,187 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 52.98 54.03 37.16 0.00 0.00
2
+ ATOM 2 C PTH 1 52.98 54.03 38.16 0.00 0.00
3
+ ATOM 3 C PTH 1 52.98 54.03 39.16 0.00 0.00
4
+ ATOM 4 C PTH 1 52.98 55.03 37.16 0.00 0.00
5
+ ATOM 5 C PTH 1 52.98 55.03 38.16 0.00 0.00
6
+ ATOM 6 C PTH 1 52.98 55.03 39.16 0.00 0.00
7
+ ATOM 7 C PTH 1 52.98 56.03 37.16 0.00 0.00
8
+ ATOM 8 C PTH 1 52.98 56.03 38.16 0.00 0.00
9
+ ATOM 9 C PTH 1 52.98 56.03 39.16 0.00 0.00
10
+ ATOM 10 C PTH 1 52.98 56.03 40.16 0.00 0.00
11
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12
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13
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14
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15
+ ATOM 15 C PTH 1 52.98 58.03 38.16 0.00 0.00
16
+ ATOM 16 C PTH 1 52.98 58.03 39.16 0.00 0.00
17
+ ATOM 17 C PTH 1 52.98 58.03 40.16 0.00 0.00
18
+ ATOM 18 C PTH 1 52.98 58.03 41.16 0.00 0.00
19
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20
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21
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22
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23
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24
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25
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26
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27
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28
+ ATOM 28 C PTH 1 53.98 53.03 36.16 0.00 0.00
29
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30
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31
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32
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33
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34
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35
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36
+ ATOM 36 C PTH 1 53.98 55.03 39.16 0.00 0.00
37
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38
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39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
+ ATOM 68 C PTH 1 54.98 53.03 36.16 0.00 0.00
69
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70
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71
+ ATOM 71 C PTH 1 54.98 54.03 37.16 0.00 0.00
72
+ ATOM 72 C PTH 1 54.98 54.03 38.16 0.00 0.00
73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
+ ATOM 93 C PTH 1 54.98 59.03 37.16 0.00 0.00
94
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95
+ ATOM 95 C PTH 1 54.98 59.03 39.16 0.00 0.00
96
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97
+ ATOM 97 C PTH 1 54.98 59.03 41.16 0.00 0.00
98
+ ATOM 98 C PTH 1 54.98 60.03 38.16 0.00 0.00
99
+ ATOM 99 C PTH 1 54.98 60.03 39.16 0.00 0.00
100
+ ATOM 100 C PTH 1 54.98 60.03 40.16 0.00 0.00
101
+ ATOM 101 C PTH 1 54.98 60.03 41.16 0.00 0.00
102
+ ATOM 102 C PTH 1 54.98 61.03 38.16 0.00 0.00
103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
+ ATOM 181 C PTH 1 56.98 61.03 41.16 0.00 0.00
182
+ ATOM 182 C PTH 1 56.98 62.03 39.16 0.00 0.00
183
+ ATOM 183 C PTH 1 56.98 62.03 40.16 0.00 0.00
184
+ ATOM 184 C PTH 1 56.98 62.03 41.16 0.00 0.00
185
+ ATOM 185 C PTH 1 56.98 63.03 39.16 0.00 0.00
186
+ ATOM 186 C PTH 1 56.98 63.03 40.16 0.00 0.00
187
+ ATOM 187 C PTH 1 56.98 63.03 41.16 0.00 0.00
data/files/A007R/pocket_01.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A007R/pocket_02.pdb ADDED
@@ -0,0 +1,451 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 116.65 112.12 60.84 0.00 0.00
2
+ ATOM 2 C PTH 1 116.65 112.12 61.84 0.00 0.00
3
+ ATOM 3 C PTH 1 116.65 112.12 62.84 0.00 0.00
4
+ ATOM 4 C PTH 1 116.65 112.12 63.84 0.00 0.00
5
+ ATOM 5 C PTH 1 116.65 113.12 58.84 0.00 0.00
6
+ ATOM 6 C PTH 1 116.65 113.12 59.84 0.00 0.00
7
+ ATOM 7 C PTH 1 116.65 113.12 60.84 0.00 0.00
8
+ ATOM 8 C PTH 1 116.65 113.12 61.84 0.00 0.00
9
+ ATOM 9 C PTH 1 116.65 113.12 62.84 0.00 0.00
10
+ ATOM 10 C PTH 1 116.65 113.12 63.84 0.00 0.00
11
+ ATOM 11 C PTH 1 116.65 114.12 57.84 0.00 0.00
12
+ ATOM 12 C PTH 1 116.65 114.12 58.84 0.00 0.00
13
+ ATOM 13 C PTH 1 116.65 114.12 59.84 0.00 0.00
14
+ ATOM 14 C PTH 1 116.65 114.12 60.84 0.00 0.00
15
+ ATOM 15 C PTH 1 116.65 114.12 61.84 0.00 0.00
16
+ ATOM 16 C PTH 1 116.65 114.12 62.84 0.00 0.00
17
+ ATOM 17 C PTH 1 116.65 114.12 63.84 0.00 0.00
18
+ ATOM 18 C PTH 1 116.65 115.12 58.84 0.00 0.00
19
+ ATOM 19 C PTH 1 116.65 118.12 54.84 0.00 0.00
20
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21
+ ATOM 21 C PTH 1 116.65 119.12 53.84 0.00 0.00
22
+ ATOM 22 C PTH 1 116.65 119.12 54.84 0.00 0.00
23
+ ATOM 23 C PTH 1 116.65 119.12 55.84 0.00 0.00
24
+ ATOM 24 C PTH 1 117.65 111.12 61.84 0.00 0.00
25
+ ATOM 25 C PTH 1 117.65 111.12 62.84 0.00 0.00
26
+ ATOM 26 C PTH 1 117.65 111.12 63.84 0.00 0.00
27
+ ATOM 27 C PTH 1 117.65 112.12 59.84 0.00 0.00
28
+ ATOM 28 C PTH 1 117.65 112.12 60.84 0.00 0.00
29
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30
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31
+ ATOM 31 C PTH 1 117.65 112.12 63.84 0.00 0.00
32
+ ATOM 32 C PTH 1 117.65 112.12 64.84 0.00 0.00
33
+ ATOM 33 C PTH 1 117.65 113.12 58.84 0.00 0.00
34
+ ATOM 34 C PTH 1 117.65 113.12 59.84 0.00 0.00
35
+ ATOM 35 C PTH 1 117.65 113.12 60.84 0.00 0.00
36
+ ATOM 36 C PTH 1 117.65 113.12 61.84 0.00 0.00
37
+ ATOM 37 C PTH 1 117.65 113.12 62.84 0.00 0.00
38
+ ATOM 38 C PTH 1 117.65 113.12 63.84 0.00 0.00
39
+ ATOM 39 C PTH 1 117.65 113.12 64.84 0.00 0.00
40
+ ATOM 40 C PTH 1 117.65 114.12 57.84 0.00 0.00
41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
+ ATOM 53 C PTH 1 117.65 115.12 61.84 0.00 0.00
54
+ ATOM 54 C PTH 1 117.65 115.12 62.84 0.00 0.00
55
+ ATOM 55 C PTH 1 117.65 116.12 54.84 0.00 0.00
56
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57
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58
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59
+ ATOM 59 C PTH 1 117.65 116.12 58.84 0.00 0.00
60
+ ATOM 60 C PTH 1 117.65 116.12 59.84 0.00 0.00
61
+ ATOM 61 C PTH 1 117.65 116.12 60.84 0.00 0.00
62
+ ATOM 62 C PTH 1 117.65 116.12 61.84 0.00 0.00
63
+ ATOM 63 C PTH 1 117.65 116.12 62.84 0.00 0.00
64
+ ATOM 64 C PTH 1 117.65 117.12 54.84 0.00 0.00
65
+ ATOM 65 C PTH 1 117.65 117.12 55.84 0.00 0.00
66
+ ATOM 66 C PTH 1 117.65 117.12 56.84 0.00 0.00
67
+ ATOM 67 C PTH 1 117.65 117.12 57.84 0.00 0.00
68
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69
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70
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71
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72
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73
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74
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75
+ ATOM 75 C PTH 1 117.65 119.12 53.84 0.00 0.00
76
+ ATOM 76 C PTH 1 117.65 119.12 54.84 0.00 0.00
77
+ ATOM 77 C PTH 1 117.65 119.12 55.84 0.00 0.00
78
+ ATOM 78 C PTH 1 117.65 120.12 52.84 0.00 0.00
79
+ ATOM 79 C PTH 1 117.65 120.12 53.84 0.00 0.00
80
+ ATOM 80 C PTH 1 117.65 120.12 54.84 0.00 0.00
81
+ ATOM 81 C PTH 1 117.65 120.12 55.84 0.00 0.00
82
+ ATOM 82 C PTH 1 118.65 111.12 61.84 0.00 0.00
83
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84
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85
+ ATOM 85 C PTH 1 118.65 111.12 64.84 0.00 0.00
86
+ ATOM 86 C PTH 1 118.65 112.12 59.84 0.00 0.00
87
+ ATOM 87 C PTH 1 118.65 112.12 60.84 0.00 0.00
88
+ ATOM 88 C PTH 1 118.65 112.12 61.84 0.00 0.00
89
+ ATOM 89 C PTH 1 118.65 112.12 62.84 0.00 0.00
90
+ ATOM 90 C PTH 1 118.65 112.12 63.84 0.00 0.00
91
+ ATOM 91 C PTH 1 118.65 112.12 64.84 0.00 0.00
92
+ ATOM 92 C PTH 1 118.65 113.12 58.84 0.00 0.00
93
+ ATOM 93 C PTH 1 118.65 113.12 59.84 0.00 0.00
94
+ ATOM 94 C PTH 1 118.65 113.12 60.84 0.00 0.00
95
+ ATOM 95 C PTH 1 118.65 113.12 61.84 0.00 0.00
96
+ ATOM 96 C PTH 1 118.65 113.12 62.84 0.00 0.00
97
+ ATOM 97 C PTH 1 118.65 113.12 63.84 0.00 0.00
98
+ ATOM 98 C PTH 1 118.65 113.12 64.84 0.00 0.00
99
+ ATOM 99 C PTH 1 118.65 114.12 57.84 0.00 0.00
100
+ ATOM 100 C PTH 1 118.65 114.12 58.84 0.00 0.00
101
+ ATOM 101 C PTH 1 118.65 114.12 59.84 0.00 0.00
102
+ ATOM 102 C PTH 1 118.65 114.12 60.84 0.00 0.00
103
+ ATOM 103 C PTH 1 118.65 114.12 61.84 0.00 0.00
104
+ ATOM 104 C PTH 1 118.65 114.12 62.84 0.00 0.00
105
+ ATOM 105 C PTH 1 118.65 114.12 63.84 0.00 0.00
106
+ ATOM 106 C PTH 1 118.65 114.12 64.84 0.00 0.00
107
+ ATOM 107 C PTH 1 118.65 115.12 55.84 0.00 0.00
108
+ ATOM 108 C PTH 1 118.65 115.12 56.84 0.00 0.00
109
+ ATOM 109 C PTH 1 118.65 115.12 57.84 0.00 0.00
110
+ ATOM 110 C PTH 1 118.65 115.12 58.84 0.00 0.00
111
+ ATOM 111 C PTH 1 118.65 115.12 59.84 0.00 0.00
112
+ ATOM 112 C PTH 1 118.65 115.12 60.84 0.00 0.00
113
+ ATOM 113 C PTH 1 118.65 115.12 61.84 0.00 0.00
114
+ ATOM 114 C PTH 1 118.65 115.12 62.84 0.00 0.00
115
+ ATOM 115 C PTH 1 118.65 115.12 63.84 0.00 0.00
116
+ ATOM 116 C PTH 1 118.65 116.12 54.84 0.00 0.00
117
+ ATOM 117 C PTH 1 118.65 116.12 55.84 0.00 0.00
118
+ ATOM 118 C PTH 1 118.65 116.12 56.84 0.00 0.00
119
+ ATOM 119 C PTH 1 118.65 116.12 57.84 0.00 0.00
120
+ ATOM 120 C PTH 1 118.65 116.12 58.84 0.00 0.00
121
+ ATOM 121 C PTH 1 118.65 116.12 59.84 0.00 0.00
122
+ ATOM 122 C PTH 1 118.65 116.12 60.84 0.00 0.00
123
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124
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125
+ ATOM 125 C PTH 1 118.65 116.12 63.84 0.00 0.00
126
+ ATOM 126 C PTH 1 118.65 117.12 54.84 0.00 0.00
127
+ ATOM 127 C PTH 1 118.65 117.12 55.84 0.00 0.00
128
+ ATOM 128 C PTH 1 118.65 117.12 56.84 0.00 0.00
129
+ ATOM 129 C PTH 1 118.65 117.12 57.84 0.00 0.00
130
+ ATOM 130 C PTH 1 118.65 117.12 58.84 0.00 0.00
131
+ ATOM 131 C PTH 1 118.65 117.12 59.84 0.00 0.00
132
+ ATOM 132 C PTH 1 118.65 117.12 60.84 0.00 0.00
133
+ ATOM 133 C PTH 1 118.65 117.12 61.84 0.00 0.00
134
+ ATOM 134 C PTH 1 118.65 117.12 62.84 0.00 0.00
135
+ ATOM 135 C PTH 1 118.65 117.12 63.84 0.00 0.00
136
+ ATOM 136 C PTH 1 118.65 118.12 53.84 0.00 0.00
137
+ ATOM 137 C PTH 1 118.65 118.12 54.84 0.00 0.00
138
+ ATOM 138 C PTH 1 118.65 118.12 55.84 0.00 0.00
139
+ ATOM 139 C PTH 1 118.65 118.12 56.84 0.00 0.00
140
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141
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142
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143
+ ATOM 143 C PTH 1 118.65 118.12 61.84 0.00 0.00
144
+ ATOM 144 C PTH 1 118.65 118.12 62.84 0.00 0.00
145
+ ATOM 145 C PTH 1 118.65 119.12 52.84 0.00 0.00
146
+ ATOM 146 C PTH 1 118.65 119.12 53.84 0.00 0.00
147
+ ATOM 147 C PTH 1 118.65 119.12 54.84 0.00 0.00
148
+ ATOM 148 C PTH 1 118.65 119.12 55.84 0.00 0.00
149
+ ATOM 149 C PTH 1 118.65 119.12 56.84 0.00 0.00
150
+ ATOM 150 C PTH 1 118.65 120.12 52.84 0.00 0.00
151
+ ATOM 151 C PTH 1 118.65 120.12 53.84 0.00 0.00
152
+ ATOM 152 C PTH 1 118.65 120.12 54.84 0.00 0.00
153
+ ATOM 153 C PTH 1 118.65 120.12 55.84 0.00 0.00
154
+ ATOM 154 C PTH 1 119.65 111.12 61.84 0.00 0.00
155
+ ATOM 155 C PTH 1 119.65 111.12 62.84 0.00 0.00
156
+ ATOM 156 C PTH 1 119.65 111.12 63.84 0.00 0.00
157
+ ATOM 157 C PTH 1 119.65 111.12 64.84 0.00 0.00
158
+ ATOM 158 C PTH 1 119.65 112.12 60.84 0.00 0.00
159
+ ATOM 159 C PTH 1 119.65 112.12 61.84 0.00 0.00
160
+ ATOM 160 C PTH 1 119.65 112.12 62.84 0.00 0.00
161
+ ATOM 161 C PTH 1 119.65 112.12 63.84 0.00 0.00
162
+ ATOM 162 C PTH 1 119.65 112.12 64.84 0.00 0.00
163
+ ATOM 163 C PTH 1 119.65 112.12 65.84 0.00 0.00
164
+ ATOM 164 C PTH 1 119.65 113.12 58.84 0.00 0.00
165
+ ATOM 165 C PTH 1 119.65 113.12 59.84 0.00 0.00
166
+ ATOM 166 C PTH 1 119.65 113.12 60.84 0.00 0.00
167
+ ATOM 167 C PTH 1 119.65 113.12 61.84 0.00 0.00
168
+ ATOM 168 C PTH 1 119.65 113.12 62.84 0.00 0.00
169
+ ATOM 169 C PTH 1 119.65 113.12 63.84 0.00 0.00
170
+ ATOM 170 C PTH 1 119.65 113.12 64.84 0.00 0.00
171
+ ATOM 171 C PTH 1 119.65 113.12 65.84 0.00 0.00
172
+ ATOM 172 C PTH 1 119.65 114.12 56.84 0.00 0.00
173
+ ATOM 173 C PTH 1 119.65 114.12 57.84 0.00 0.00
174
+ ATOM 174 C PTH 1 119.65 114.12 58.84 0.00 0.00
175
+ ATOM 175 C PTH 1 119.65 114.12 59.84 0.00 0.00
176
+ ATOM 176 C PTH 1 119.65 114.12 60.84 0.00 0.00
177
+ ATOM 177 C PTH 1 119.65 114.12 61.84 0.00 0.00
178
+ ATOM 178 C PTH 1 119.65 114.12 62.84 0.00 0.00
179
+ ATOM 179 C PTH 1 119.65 114.12 63.84 0.00 0.00
180
+ ATOM 180 C PTH 1 119.65 114.12 64.84 0.00 0.00
181
+ ATOM 181 C PTH 1 119.65 114.12 65.84 0.00 0.00
182
+ ATOM 182 C PTH 1 119.65 115.12 54.84 0.00 0.00
183
+ ATOM 183 C PTH 1 119.65 115.12 55.84 0.00 0.00
184
+ ATOM 184 C PTH 1 119.65 115.12 56.84 0.00 0.00
185
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186
+ ATOM 186 C PTH 1 119.65 115.12 58.84 0.00 0.00
187
+ ATOM 187 C PTH 1 119.65 115.12 59.84 0.00 0.00
188
+ ATOM 188 C PTH 1 119.65 115.12 60.84 0.00 0.00
189
+ ATOM 189 C PTH 1 119.65 115.12 61.84 0.00 0.00
190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
+ ATOM 201 C PTH 1 119.65 116.12 61.84 0.00 0.00
202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
+ ATOM 212 C PTH 1 119.65 117.12 60.84 0.00 0.00
213
+ ATOM 213 C PTH 1 119.65 117.12 61.84 0.00 0.00
214
+ ATOM 214 C PTH 1 119.65 117.12 62.84 0.00 0.00
215
+ ATOM 215 C PTH 1 119.65 117.12 63.84 0.00 0.00
216
+ ATOM 216 C PTH 1 119.65 118.12 53.84 0.00 0.00
217
+ ATOM 217 C PTH 1 119.65 118.12 54.84 0.00 0.00
218
+ ATOM 218 C PTH 1 119.65 118.12 55.84 0.00 0.00
219
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220
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221
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222
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223
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224
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225
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226
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227
+ ATOM 227 C PTH 1 119.65 119.12 52.84 0.00 0.00
228
+ ATOM 228 C PTH 1 119.65 119.12 53.84 0.00 0.00
229
+ ATOM 229 C PTH 1 119.65 119.12 54.84 0.00 0.00
230
+ ATOM 230 C PTH 1 119.65 119.12 55.84 0.00 0.00
231
+ ATOM 231 C PTH 1 119.65 119.12 56.84 0.00 0.00
232
+ ATOM 232 C PTH 1 119.65 120.12 52.84 0.00 0.00
233
+ ATOM 233 C PTH 1 119.65 120.12 53.84 0.00 0.00
234
+ ATOM 234 C PTH 1 119.65 120.12 54.84 0.00 0.00
235
+ ATOM 235 C PTH 1 119.65 120.12 55.84 0.00 0.00
236
+ ATOM 236 C PTH 1 120.65 111.12 62.84 0.00 0.00
237
+ ATOM 237 C PTH 1 120.65 111.12 63.84 0.00 0.00
238
+ ATOM 238 C PTH 1 120.65 111.12 64.84 0.00 0.00
239
+ ATOM 239 C PTH 1 120.65 112.12 61.84 0.00 0.00
240
+ ATOM 240 C PTH 1 120.65 112.12 62.84 0.00 0.00
241
+ ATOM 241 C PTH 1 120.65 112.12 63.84 0.00 0.00
242
+ ATOM 242 C PTH 1 120.65 112.12 64.84 0.00 0.00
243
+ ATOM 243 C PTH 1 120.65 113.12 60.84 0.00 0.00
244
+ ATOM 244 C PTH 1 120.65 113.12 61.84 0.00 0.00
245
+ ATOM 245 C PTH 1 120.65 113.12 62.84 0.00 0.00
246
+ ATOM 246 C PTH 1 120.65 113.12 63.84 0.00 0.00
247
+ ATOM 247 C PTH 1 120.65 113.12 64.84 0.00 0.00
248
+ ATOM 248 C PTH 1 120.65 113.12 65.84 0.00 0.00
249
+ ATOM 249 C PTH 1 120.65 114.12 55.84 0.00 0.00
250
+ ATOM 250 C PTH 1 120.65 114.12 56.84 0.00 0.00
251
+ ATOM 251 C PTH 1 120.65 114.12 57.84 0.00 0.00
252
+ ATOM 252 C PTH 1 120.65 114.12 58.84 0.00 0.00
253
+ ATOM 253 C PTH 1 120.65 114.12 59.84 0.00 0.00
254
+ ATOM 254 C PTH 1 120.65 114.12 60.84 0.00 0.00
255
+ ATOM 255 C PTH 1 120.65 114.12 61.84 0.00 0.00
256
+ ATOM 256 C PTH 1 120.65 114.12 62.84 0.00 0.00
257
+ ATOM 257 C PTH 1 120.65 114.12 63.84 0.00 0.00
258
+ ATOM 258 C PTH 1 120.65 114.12 64.84 0.00 0.00
259
+ ATOM 259 C PTH 1 120.65 114.12 65.84 0.00 0.00
260
+ ATOM 260 C PTH 1 120.65 115.12 54.84 0.00 0.00
261
+ ATOM 261 C PTH 1 120.65 115.12 55.84 0.00 0.00
262
+ ATOM 262 C PTH 1 120.65 115.12 56.84 0.00 0.00
263
+ ATOM 263 C PTH 1 120.65 115.12 57.84 0.00 0.00
264
+ ATOM 264 C PTH 1 120.65 115.12 58.84 0.00 0.00
265
+ ATOM 265 C PTH 1 120.65 115.12 59.84 0.00 0.00
266
+ ATOM 266 C PTH 1 120.65 115.12 60.84 0.00 0.00
267
+ ATOM 267 C PTH 1 120.65 115.12 61.84 0.00 0.00
268
+ ATOM 268 C PTH 1 120.65 115.12 62.84 0.00 0.00
269
+ ATOM 269 C PTH 1 120.65 115.12 63.84 0.00 0.00
270
+ ATOM 270 C PTH 1 120.65 115.12 64.84 0.00 0.00
271
+ ATOM 271 C PTH 1 120.65 115.12 65.84 0.00 0.00
272
+ ATOM 272 C PTH 1 120.65 116.12 52.84 0.00 0.00
273
+ ATOM 273 C PTH 1 120.65 116.12 53.84 0.00 0.00
274
+ ATOM 274 C PTH 1 120.65 116.12 54.84 0.00 0.00
275
+ ATOM 275 C PTH 1 120.65 116.12 55.84 0.00 0.00
276
+ ATOM 276 C PTH 1 120.65 116.12 56.84 0.00 0.00
277
+ ATOM 277 C PTH 1 120.65 116.12 57.84 0.00 0.00
278
+ ATOM 278 C PTH 1 120.65 116.12 58.84 0.00 0.00
279
+ ATOM 279 C PTH 1 120.65 116.12 59.84 0.00 0.00
280
+ ATOM 280 C PTH 1 120.65 116.12 60.84 0.00 0.00
281
+ ATOM 281 C PTH 1 120.65 116.12 61.84 0.00 0.00
282
+ ATOM 282 C PTH 1 120.65 116.12 62.84 0.00 0.00
283
+ ATOM 283 C PTH 1 120.65 116.12 63.84 0.00 0.00
284
+ ATOM 284 C PTH 1 120.65 116.12 64.84 0.00 0.00
285
+ ATOM 285 C PTH 1 120.65 117.12 52.84 0.00 0.00
286
+ ATOM 286 C PTH 1 120.65 117.12 53.84 0.00 0.00
287
+ ATOM 287 C PTH 1 120.65 117.12 54.84 0.00 0.00
288
+ ATOM 288 C PTH 1 120.65 117.12 55.84 0.00 0.00
289
+ ATOM 289 C PTH 1 120.65 117.12 56.84 0.00 0.00
290
+ ATOM 290 C PTH 1 120.65 117.12 57.84 0.00 0.00
291
+ ATOM 291 C PTH 1 120.65 117.12 58.84 0.00 0.00
292
+ ATOM 292 C PTH 1 120.65 117.12 59.84 0.00 0.00
293
+ ATOM 293 C PTH 1 120.65 117.12 60.84 0.00 0.00
294
+ ATOM 294 C PTH 1 120.65 117.12 61.84 0.00 0.00
295
+ ATOM 295 C PTH 1 120.65 117.12 62.84 0.00 0.00
296
+ ATOM 296 C PTH 1 120.65 117.12 63.84 0.00 0.00
297
+ ATOM 297 C PTH 1 120.65 117.12 64.84 0.00 0.00
298
+ ATOM 298 C PTH 1 120.65 118.12 52.84 0.00 0.00
299
+ ATOM 299 C PTH 1 120.65 118.12 53.84 0.00 0.00
300
+ ATOM 300 C PTH 1 120.65 118.12 54.84 0.00 0.00
301
+ ATOM 301 C PTH 1 120.65 118.12 55.84 0.00 0.00
302
+ ATOM 302 C PTH 1 120.65 118.12 56.84 0.00 0.00
303
+ ATOM 303 C PTH 1 120.65 118.12 57.84 0.00 0.00
304
+ ATOM 304 C PTH 1 120.65 118.12 58.84 0.00 0.00
305
+ ATOM 305 C PTH 1 120.65 118.12 59.84 0.00 0.00
306
+ ATOM 306 C PTH 1 120.65 118.12 60.84 0.00 0.00
307
+ ATOM 307 C PTH 1 120.65 118.12 61.84 0.00 0.00
308
+ ATOM 308 C PTH 1 120.65 118.12 62.84 0.00 0.00
309
+ ATOM 309 C PTH 1 120.65 118.12 63.84 0.00 0.00
310
+ ATOM 310 C PTH 1 120.65 119.12 52.84 0.00 0.00
311
+ ATOM 311 C PTH 1 120.65 119.12 53.84 0.00 0.00
312
+ ATOM 312 C PTH 1 120.65 119.12 54.84 0.00 0.00
313
+ ATOM 313 C PTH 1 120.65 119.12 55.84 0.00 0.00
314
+ ATOM 314 C PTH 1 120.65 119.12 56.84 0.00 0.00
315
+ ATOM 315 C PTH 1 120.65 120.12 52.84 0.00 0.00
316
+ ATOM 316 C PTH 1 120.65 120.12 53.84 0.00 0.00
317
+ ATOM 317 C PTH 1 120.65 120.12 54.84 0.00 0.00
318
+ ATOM 318 C PTH 1 120.65 120.12 55.84 0.00 0.00
319
+ ATOM 319 C PTH 1 121.65 112.12 62.84 0.00 0.00
320
+ ATOM 320 C PTH 1 121.65 112.12 63.84 0.00 0.00
321
+ ATOM 321 C PTH 1 121.65 112.12 64.84 0.00 0.00
322
+ ATOM 322 C PTH 1 121.65 113.12 62.84 0.00 0.00
323
+ ATOM 323 C PTH 1 121.65 113.12 63.84 0.00 0.00
324
+ ATOM 324 C PTH 1 121.65 113.12 64.84 0.00 0.00
325
+ ATOM 325 C PTH 1 121.65 114.12 55.84 0.00 0.00
326
+ ATOM 326 C PTH 1 121.65 114.12 56.84 0.00 0.00
327
+ ATOM 327 C PTH 1 121.65 114.12 57.84 0.00 0.00
328
+ ATOM 328 C PTH 1 121.65 114.12 58.84 0.00 0.00
329
+ ATOM 329 C PTH 1 121.65 114.12 61.84 0.00 0.00
330
+ ATOM 330 C PTH 1 121.65 114.12 62.84 0.00 0.00
331
+ ATOM 331 C PTH 1 121.65 114.12 63.84 0.00 0.00
332
+ ATOM 332 C PTH 1 121.65 114.12 64.84 0.00 0.00
333
+ ATOM 333 C PTH 1 121.65 114.12 65.84 0.00 0.00
334
+ ATOM 334 C PTH 1 121.65 115.12 54.84 0.00 0.00
335
+ ATOM 335 C PTH 1 121.65 115.12 55.84 0.00 0.00
336
+ ATOM 336 C PTH 1 121.65 115.12 56.84 0.00 0.00
337
+ ATOM 337 C PTH 1 121.65 115.12 57.84 0.00 0.00
338
+ ATOM 338 C PTH 1 121.65 115.12 58.84 0.00 0.00
339
+ ATOM 339 C PTH 1 121.65 115.12 59.84 0.00 0.00
340
+ ATOM 340 C PTH 1 121.65 115.12 60.84 0.00 0.00
341
+ ATOM 341 C PTH 1 121.65 115.12 61.84 0.00 0.00
342
+ ATOM 342 C PTH 1 121.65 115.12 62.84 0.00 0.00
343
+ ATOM 343 C PTH 1 121.65 115.12 63.84 0.00 0.00
344
+ ATOM 344 C PTH 1 121.65 115.12 64.84 0.00 0.00
345
+ ATOM 345 C PTH 1 121.65 116.12 53.84 0.00 0.00
346
+ ATOM 346 C PTH 1 121.65 116.12 54.84 0.00 0.00
347
+ ATOM 347 C PTH 1 121.65 116.12 55.84 0.00 0.00
348
+ ATOM 348 C PTH 1 121.65 116.12 56.84 0.00 0.00
349
+ ATOM 349 C PTH 1 121.65 116.12 57.84 0.00 0.00
350
+ ATOM 350 C PTH 1 121.65 116.12 58.84 0.00 0.00
351
+ ATOM 351 C PTH 1 121.65 116.12 59.84 0.00 0.00
352
+ ATOM 352 C PTH 1 121.65 116.12 60.84 0.00 0.00
353
+ ATOM 353 C PTH 1 121.65 116.12 61.84 0.00 0.00
354
+ ATOM 354 C PTH 1 121.65 116.12 62.84 0.00 0.00
355
+ ATOM 355 C PTH 1 121.65 116.12 63.84 0.00 0.00
356
+ ATOM 356 C PTH 1 121.65 116.12 64.84 0.00 0.00
357
+ ATOM 357 C PTH 1 121.65 117.12 52.84 0.00 0.00
358
+ ATOM 358 C PTH 1 121.65 117.12 53.84 0.00 0.00
359
+ ATOM 359 C PTH 1 121.65 117.12 54.84 0.00 0.00
360
+ ATOM 360 C PTH 1 121.65 117.12 55.84 0.00 0.00
361
+ ATOM 361 C PTH 1 121.65 117.12 56.84 0.00 0.00
362
+ ATOM 362 C PTH 1 121.65 117.12 57.84 0.00 0.00
363
+ ATOM 363 C PTH 1 121.65 117.12 58.84 0.00 0.00
364
+ ATOM 364 C PTH 1 121.65 117.12 59.84 0.00 0.00
365
+ ATOM 365 C PTH 1 121.65 117.12 60.84 0.00 0.00
366
+ ATOM 366 C PTH 1 121.65 117.12 61.84 0.00 0.00
367
+ ATOM 367 C PTH 1 121.65 117.12 62.84 0.00 0.00
368
+ ATOM 368 C PTH 1 121.65 117.12 63.84 0.00 0.00
369
+ ATOM 369 C PTH 1 121.65 117.12 64.84 0.00 0.00
370
+ ATOM 370 C PTH 1 121.65 118.12 52.84 0.00 0.00
371
+ ATOM 371 C PTH 1 121.65 118.12 53.84 0.00 0.00
372
+ ATOM 372 C PTH 1 121.65 118.12 54.84 0.00 0.00
373
+ ATOM 373 C PTH 1 121.65 118.12 55.84 0.00 0.00
374
+ ATOM 374 C PTH 1 121.65 118.12 56.84 0.00 0.00
375
+ ATOM 375 C PTH 1 121.65 118.12 57.84 0.00 0.00
376
+ ATOM 376 C PTH 1 121.65 118.12 58.84 0.00 0.00
377
+ ATOM 377 C PTH 1 121.65 118.12 60.84 0.00 0.00
378
+ ATOM 378 C PTH 1 121.65 118.12 61.84 0.00 0.00
379
+ ATOM 379 C PTH 1 121.65 118.12 62.84 0.00 0.00
380
+ ATOM 380 C PTH 1 121.65 119.12 52.84 0.00 0.00
381
+ ATOM 381 C PTH 1 121.65 119.12 53.84 0.00 0.00
382
+ ATOM 382 C PTH 1 121.65 119.12 54.84 0.00 0.00
383
+ ATOM 383 C PTH 1 121.65 119.12 55.84 0.00 0.00
384
+ ATOM 384 C PTH 1 121.65 119.12 56.84 0.00 0.00
385
+ ATOM 385 C PTH 1 121.65 120.12 53.84 0.00 0.00
386
+ ATOM 386 C PTH 1 121.65 120.12 54.84 0.00 0.00
387
+ ATOM 387 C PTH 1 121.65 120.12 55.84 0.00 0.00
388
+ ATOM 388 C PTH 1 122.65 112.12 63.84 0.00 0.00
389
+ ATOM 389 C PTH 1 122.65 112.12 64.84 0.00 0.00
390
+ ATOM 390 C PTH 1 122.65 113.12 64.84 0.00 0.00
391
+ ATOM 391 C PTH 1 122.65 114.12 55.84 0.00 0.00
392
+ ATOM 392 C PTH 1 122.65 114.12 56.84 0.00 0.00
393
+ ATOM 393 C PTH 1 122.65 114.12 57.84 0.00 0.00
394
+ ATOM 394 C PTH 1 122.65 114.12 58.84 0.00 0.00
395
+ ATOM 395 C PTH 1 122.65 115.12 54.84 0.00 0.00
396
+ ATOM 396 C PTH 1 122.65 115.12 55.84 0.00 0.00
397
+ ATOM 397 C PTH 1 122.65 115.12 56.84 0.00 0.00
398
+ ATOM 398 C PTH 1 122.65 115.12 57.84 0.00 0.00
399
+ ATOM 399 C PTH 1 122.65 115.12 58.84 0.00 0.00
400
+ ATOM 400 C PTH 1 122.65 116.12 53.84 0.00 0.00
401
+ ATOM 401 C PTH 1 122.65 116.12 54.84 0.00 0.00
402
+ ATOM 402 C PTH 1 122.65 116.12 55.84 0.00 0.00
403
+ ATOM 403 C PTH 1 122.65 116.12 56.84 0.00 0.00
404
+ ATOM 404 C PTH 1 122.65 116.12 57.84 0.00 0.00
405
+ ATOM 405 C PTH 1 122.65 116.12 58.84 0.00 0.00
406
+ ATOM 406 C PTH 1 122.65 117.12 52.84 0.00 0.00
407
+ ATOM 407 C PTH 1 122.65 117.12 53.84 0.00 0.00
408
+ ATOM 408 C PTH 1 122.65 117.12 54.84 0.00 0.00
409
+ ATOM 409 C PTH 1 122.65 117.12 55.84 0.00 0.00
410
+ ATOM 410 C PTH 1 122.65 117.12 56.84 0.00 0.00
411
+ ATOM 411 C PTH 1 122.65 117.12 57.84 0.00 0.00
412
+ ATOM 412 C PTH 1 122.65 117.12 58.84 0.00 0.00
413
+ ATOM 413 C PTH 1 122.65 118.12 52.84 0.00 0.00
414
+ ATOM 414 C PTH 1 122.65 118.12 53.84 0.00 0.00
415
+ ATOM 415 C PTH 1 122.65 118.12 54.84 0.00 0.00
416
+ ATOM 416 C PTH 1 122.65 118.12 55.84 0.00 0.00
417
+ ATOM 417 C PTH 1 122.65 118.12 56.84 0.00 0.00
418
+ ATOM 418 C PTH 1 122.65 118.12 57.84 0.00 0.00
419
+ ATOM 419 C PTH 1 122.65 119.12 53.84 0.00 0.00
420
+ ATOM 420 C PTH 1 122.65 119.12 54.84 0.00 0.00
421
+ ATOM 421 C PTH 1 122.65 119.12 55.84 0.00 0.00
422
+ ATOM 422 C PTH 1 122.65 119.12 56.84 0.00 0.00
423
+ ATOM 423 C PTH 1 122.65 120.12 53.84 0.00 0.00
424
+ ATOM 424 C PTH 1 122.65 120.12 54.84 0.00 0.00
425
+ ATOM 425 C PTH 1 123.65 114.12 56.84 0.00 0.00
426
+ ATOM 426 C PTH 1 123.65 114.12 57.84 0.00 0.00
427
+ ATOM 427 C PTH 1 123.65 115.12 54.84 0.00 0.00
428
+ ATOM 428 C PTH 1 123.65 115.12 55.84 0.00 0.00
429
+ ATOM 429 C PTH 1 123.65 115.12 56.84 0.00 0.00
430
+ ATOM 430 C PTH 1 123.65 115.12 57.84 0.00 0.00
431
+ ATOM 431 C PTH 1 123.65 115.12 58.84 0.00 0.00
432
+ ATOM 432 C PTH 1 123.65 116.12 53.84 0.00 0.00
433
+ ATOM 433 C PTH 1 123.65 116.12 54.84 0.00 0.00
434
+ ATOM 434 C PTH 1 123.65 116.12 55.84 0.00 0.00
435
+ ATOM 435 C PTH 1 123.65 116.12 56.84 0.00 0.00
436
+ ATOM 436 C PTH 1 123.65 116.12 57.84 0.00 0.00
437
+ ATOM 437 C PTH 1 123.65 116.12 58.84 0.00 0.00
438
+ ATOM 438 C PTH 1 123.65 117.12 53.84 0.00 0.00
439
+ ATOM 439 C PTH 1 123.65 117.12 54.84 0.00 0.00
440
+ ATOM 440 C PTH 1 123.65 117.12 55.84 0.00 0.00
441
+ ATOM 441 C PTH 1 123.65 117.12 56.84 0.00 0.00
442
+ ATOM 442 C PTH 1 123.65 117.12 57.84 0.00 0.00
443
+ ATOM 443 C PTH 1 123.65 118.12 53.84 0.00 0.00
444
+ ATOM 444 C PTH 1 123.65 118.12 54.84 0.00 0.00
445
+ ATOM 445 C PTH 1 123.65 118.12 55.84 0.00 0.00
446
+ ATOM 446 C PTH 1 123.65 118.12 56.84 0.00 0.00
447
+ ATOM 447 C PTH 1 123.65 119.12 54.84 0.00 0.00
448
+ ATOM 448 C PTH 1 123.65 119.12 55.84 0.00 0.00
449
+ ATOM 449 C PTH 1 124.65 116.12 56.84 0.00 0.00
450
+ ATOM 450 C PTH 1 124.65 117.12 55.84 0.00 0.00
451
+ ATOM 451 C PTH 1 124.65 117.12 56.84 0.00 0.00
data/files/A007R/pocket_05.pdb ADDED
@@ -0,0 +1,189 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 135.65 114.12 22.84 0.00 0.00
2
+ ATOM 2 C PTH 1 135.65 114.12 23.84 0.00 0.00
3
+ ATOM 3 C PTH 1 135.65 115.12 21.84 0.00 0.00
4
+ ATOM 4 C PTH 1 135.65 115.12 22.84 0.00 0.00
5
+ ATOM 5 C PTH 1 135.65 115.12 23.84 0.00 0.00
6
+ ATOM 6 C PTH 1 135.65 115.12 24.84 0.00 0.00
7
+ ATOM 7 C PTH 1 135.65 116.12 21.84 0.00 0.00
8
+ ATOM 8 C PTH 1 135.65 116.12 22.84 0.00 0.00
9
+ ATOM 9 C PTH 1 135.65 116.12 23.84 0.00 0.00
10
+ ATOM 10 C PTH 1 135.65 116.12 24.84 0.00 0.00
11
+ ATOM 11 C PTH 1 135.65 117.12 22.84 0.00 0.00
12
+ ATOM 12 C PTH 1 135.65 117.12 23.84 0.00 0.00
13
+ ATOM 13 C PTH 1 135.65 117.12 24.84 0.00 0.00
14
+ ATOM 14 C PTH 1 136.65 111.12 25.84 0.00 0.00
15
+ ATOM 15 C PTH 1 136.65 111.12 26.84 0.00 0.00
16
+ ATOM 16 C PTH 1 136.65 113.12 24.84 0.00 0.00
17
+ ATOM 17 C PTH 1 136.65 113.12 25.84 0.00 0.00
18
+ ATOM 18 C PTH 1 136.65 114.12 22.84 0.00 0.00
19
+ ATOM 19 C PTH 1 136.65 114.12 23.84 0.00 0.00
20
+ ATOM 20 C PTH 1 136.65 114.12 24.84 0.00 0.00
21
+ ATOM 21 C PTH 1 136.65 114.12 25.84 0.00 0.00
22
+ ATOM 22 C PTH 1 136.65 114.12 26.84 0.00 0.00
23
+ ATOM 23 C PTH 1 136.65 115.12 21.84 0.00 0.00
24
+ ATOM 24 C PTH 1 136.65 115.12 22.84 0.00 0.00
25
+ ATOM 25 C PTH 1 136.65 115.12 23.84 0.00 0.00
26
+ ATOM 26 C PTH 1 136.65 115.12 24.84 0.00 0.00
27
+ ATOM 27 C PTH 1 136.65 115.12 25.84 0.00 0.00
28
+ ATOM 28 C PTH 1 136.65 115.12 26.84 0.00 0.00
29
+ ATOM 29 C PTH 1 136.65 116.12 21.84 0.00 0.00
30
+ ATOM 30 C PTH 1 136.65 116.12 22.84 0.00 0.00
31
+ ATOM 31 C PTH 1 136.65 116.12 23.84 0.00 0.00
32
+ ATOM 32 C PTH 1 136.65 116.12 24.84 0.00 0.00
33
+ ATOM 33 C PTH 1 136.65 116.12 25.84 0.00 0.00
34
+ ATOM 34 C PTH 1 136.65 116.12 26.84 0.00 0.00
35
+ ATOM 35 C PTH 1 136.65 117.12 21.84 0.00 0.00
36
+ ATOM 36 C PTH 1 136.65 117.12 22.84 0.00 0.00
37
+ ATOM 37 C PTH 1 136.65 117.12 23.84 0.00 0.00
38
+ ATOM 38 C PTH 1 136.65 117.12 24.84 0.00 0.00
39
+ ATOM 39 C PTH 1 136.65 117.12 25.84 0.00 0.00
40
+ ATOM 40 C PTH 1 136.65 117.12 26.84 0.00 0.00
41
+ ATOM 41 C PTH 1 136.65 118.12 23.84 0.00 0.00
42
+ ATOM 42 C PTH 1 136.65 118.12 24.84 0.00 0.00
43
+ ATOM 43 C PTH 1 137.65 111.12 25.84 0.00 0.00
44
+ ATOM 44 C PTH 1 137.65 111.12 26.84 0.00 0.00
45
+ ATOM 45 C PTH 1 137.65 112.12 24.84 0.00 0.00
46
+ ATOM 46 C PTH 1 137.65 112.12 25.84 0.00 0.00
47
+ ATOM 47 C PTH 1 137.65 112.12 26.84 0.00 0.00
48
+ ATOM 48 C PTH 1 137.65 112.12 27.84 0.00 0.00
49
+ ATOM 49 C PTH 1 137.65 113.12 24.84 0.00 0.00
50
+ ATOM 50 C PTH 1 137.65 113.12 25.84 0.00 0.00
51
+ ATOM 51 C PTH 1 137.65 113.12 26.84 0.00 0.00
52
+ ATOM 52 C PTH 1 137.65 113.12 27.84 0.00 0.00
53
+ ATOM 53 C PTH 1 137.65 114.12 23.84 0.00 0.00
54
+ ATOM 54 C PTH 1 137.65 114.12 24.84 0.00 0.00
55
+ ATOM 55 C PTH 1 137.65 114.12 25.84 0.00 0.00
56
+ ATOM 56 C PTH 1 137.65 114.12 26.84 0.00 0.00
57
+ ATOM 57 C PTH 1 137.65 114.12 27.84 0.00 0.00
58
+ ATOM 58 C PTH 1 137.65 114.12 28.84 0.00 0.00
59
+ ATOM 59 C PTH 1 137.65 115.12 21.84 0.00 0.00
60
+ ATOM 60 C PTH 1 137.65 115.12 22.84 0.00 0.00
61
+ ATOM 61 C PTH 1 137.65 115.12 23.84 0.00 0.00
62
+ ATOM 62 C PTH 1 137.65 115.12 24.84 0.00 0.00
63
+ ATOM 63 C PTH 1 137.65 115.12 25.84 0.00 0.00
64
+ ATOM 64 C PTH 1 137.65 115.12 26.84 0.00 0.00
65
+ ATOM 65 C PTH 1 137.65 115.12 27.84 0.00 0.00
66
+ ATOM 66 C PTH 1 137.65 115.12 28.84 0.00 0.00
67
+ ATOM 67 C PTH 1 137.65 116.12 21.84 0.00 0.00
68
+ ATOM 68 C PTH 1 137.65 116.12 22.84 0.00 0.00
69
+ ATOM 69 C PTH 1 137.65 116.12 23.84 0.00 0.00
70
+ ATOM 70 C PTH 1 137.65 116.12 24.84 0.00 0.00
71
+ ATOM 71 C PTH 1 137.65 116.12 25.84 0.00 0.00
72
+ ATOM 72 C PTH 1 137.65 116.12 26.84 0.00 0.00
73
+ ATOM 73 C PTH 1 137.65 116.12 27.84 0.00 0.00
74
+ ATOM 74 C PTH 1 137.65 116.12 28.84 0.00 0.00
75
+ ATOM 75 C PTH 1 137.65 117.12 21.84 0.00 0.00
76
+ ATOM 76 C PTH 1 137.65 117.12 22.84 0.00 0.00
77
+ ATOM 77 C PTH 1 137.65 117.12 23.84 0.00 0.00
78
+ ATOM 78 C PTH 1 137.65 117.12 24.84 0.00 0.00
79
+ ATOM 79 C PTH 1 137.65 117.12 25.84 0.00 0.00
80
+ ATOM 80 C PTH 1 137.65 117.12 26.84 0.00 0.00
81
+ ATOM 81 C PTH 1 137.65 117.12 27.84 0.00 0.00
82
+ ATOM 82 C PTH 1 137.65 118.12 23.84 0.00 0.00
83
+ ATOM 83 C PTH 1 137.65 118.12 24.84 0.00 0.00
84
+ ATOM 84 C PTH 1 137.65 118.12 25.84 0.00 0.00
85
+ ATOM 85 C PTH 1 137.65 118.12 26.84 0.00 0.00
86
+ ATOM 86 C PTH 1 137.65 118.12 27.84 0.00 0.00
87
+ ATOM 87 C PTH 1 138.65 111.12 26.84 0.00 0.00
88
+ ATOM 88 C PTH 1 138.65 112.12 25.84 0.00 0.00
89
+ ATOM 89 C PTH 1 138.65 112.12 26.84 0.00 0.00
90
+ ATOM 90 C PTH 1 138.65 112.12 27.84 0.00 0.00
91
+ ATOM 91 C PTH 1 138.65 113.12 24.84 0.00 0.00
92
+ ATOM 92 C PTH 1 138.65 113.12 25.84 0.00 0.00
93
+ ATOM 93 C PTH 1 138.65 113.12 26.84 0.00 0.00
94
+ ATOM 94 C PTH 1 138.65 113.12 27.84 0.00 0.00
95
+ ATOM 95 C PTH 1 138.65 113.12 28.84 0.00 0.00
96
+ ATOM 96 C PTH 1 138.65 114.12 23.84 0.00 0.00
97
+ ATOM 97 C PTH 1 138.65 114.12 24.84 0.00 0.00
98
+ ATOM 98 C PTH 1 138.65 114.12 25.84 0.00 0.00
99
+ ATOM 99 C PTH 1 138.65 114.12 26.84 0.00 0.00
100
+ ATOM 100 C PTH 1 138.65 114.12 27.84 0.00 0.00
101
+ ATOM 101 C PTH 1 138.65 114.12 28.84 0.00 0.00
102
+ ATOM 102 C PTH 1 138.65 115.12 22.84 0.00 0.00
103
+ ATOM 103 C PTH 1 138.65 115.12 23.84 0.00 0.00
104
+ ATOM 104 C PTH 1 138.65 115.12 24.84 0.00 0.00
105
+ ATOM 105 C PTH 1 138.65 115.12 25.84 0.00 0.00
106
+ ATOM 106 C PTH 1 138.65 115.12 26.84 0.00 0.00
107
+ ATOM 107 C PTH 1 138.65 115.12 27.84 0.00 0.00
108
+ ATOM 108 C PTH 1 138.65 115.12 28.84 0.00 0.00
109
+ ATOM 109 C PTH 1 138.65 116.12 22.84 0.00 0.00
110
+ ATOM 110 C PTH 1 138.65 116.12 23.84 0.00 0.00
111
+ ATOM 111 C PTH 1 138.65 116.12 24.84 0.00 0.00
112
+ ATOM 112 C PTH 1 138.65 116.12 25.84 0.00 0.00
113
+ ATOM 113 C PTH 1 138.65 116.12 26.84 0.00 0.00
114
+ ATOM 114 C PTH 1 138.65 116.12 27.84 0.00 0.00
115
+ ATOM 115 C PTH 1 138.65 116.12 28.84 0.00 0.00
116
+ ATOM 116 C PTH 1 138.65 117.12 22.84 0.00 0.00
117
+ ATOM 117 C PTH 1 138.65 117.12 23.84 0.00 0.00
118
+ ATOM 118 C PTH 1 138.65 117.12 24.84 0.00 0.00
119
+ ATOM 119 C PTH 1 138.65 117.12 25.84 0.00 0.00
120
+ ATOM 120 C PTH 1 138.65 117.12 26.84 0.00 0.00
121
+ ATOM 121 C PTH 1 138.65 117.12 27.84 0.00 0.00
122
+ ATOM 122 C PTH 1 138.65 117.12 28.84 0.00 0.00
123
+ ATOM 123 C PTH 1 138.65 118.12 23.84 0.00 0.00
124
+ ATOM 124 C PTH 1 138.65 118.12 24.84 0.00 0.00
125
+ ATOM 125 C PTH 1 138.65 118.12 25.84 0.00 0.00
126
+ ATOM 126 C PTH 1 138.65 118.12 26.84 0.00 0.00
127
+ ATOM 127 C PTH 1 139.65 111.12 26.84 0.00 0.00
128
+ ATOM 128 C PTH 1 139.65 112.12 25.84 0.00 0.00
129
+ ATOM 129 C PTH 1 139.65 112.12 26.84 0.00 0.00
130
+ ATOM 130 C PTH 1 139.65 112.12 27.84 0.00 0.00
131
+ ATOM 131 C PTH 1 139.65 113.12 25.84 0.00 0.00
132
+ ATOM 132 C PTH 1 139.65 113.12 26.84 0.00 0.00
133
+ ATOM 133 C PTH 1 139.65 113.12 27.84 0.00 0.00
134
+ ATOM 134 C PTH 1 139.65 113.12 28.84 0.00 0.00
135
+ ATOM 135 C PTH 1 139.65 114.12 24.84 0.00 0.00
136
+ ATOM 136 C PTH 1 139.65 114.12 25.84 0.00 0.00
137
+ ATOM 137 C PTH 1 139.65 114.12 26.84 0.00 0.00
138
+ ATOM 138 C PTH 1 139.65 114.12 27.84 0.00 0.00
139
+ ATOM 139 C PTH 1 139.65 114.12 28.84 0.00 0.00
140
+ ATOM 140 C PTH 1 139.65 115.12 23.84 0.00 0.00
141
+ ATOM 141 C PTH 1 139.65 115.12 24.84 0.00 0.00
142
+ ATOM 142 C PTH 1 139.65 115.12 25.84 0.00 0.00
143
+ ATOM 143 C PTH 1 139.65 115.12 26.84 0.00 0.00
144
+ ATOM 144 C PTH 1 139.65 115.12 27.84 0.00 0.00
145
+ ATOM 145 C PTH 1 139.65 115.12 28.84 0.00 0.00
146
+ ATOM 146 C PTH 1 139.65 116.12 23.84 0.00 0.00
147
+ ATOM 147 C PTH 1 139.65 116.12 24.84 0.00 0.00
148
+ ATOM 148 C PTH 1 139.65 116.12 25.84 0.00 0.00
149
+ ATOM 149 C PTH 1 139.65 116.12 26.84 0.00 0.00
150
+ ATOM 150 C PTH 1 139.65 116.12 27.84 0.00 0.00
151
+ ATOM 151 C PTH 1 139.65 116.12 28.84 0.00 0.00
152
+ ATOM 152 C PTH 1 139.65 117.12 23.84 0.00 0.00
153
+ ATOM 153 C PTH 1 139.65 117.12 24.84 0.00 0.00
154
+ ATOM 154 C PTH 1 139.65 117.12 25.84 0.00 0.00
155
+ ATOM 155 C PTH 1 139.65 117.12 26.84 0.00 0.00
156
+ ATOM 156 C PTH 1 139.65 117.12 27.84 0.00 0.00
157
+ ATOM 157 C PTH 1 139.65 117.12 28.84 0.00 0.00
158
+ ATOM 158 C PTH 1 139.65 118.12 23.84 0.00 0.00
159
+ ATOM 159 C PTH 1 139.65 118.12 24.84 0.00 0.00
160
+ ATOM 160 C PTH 1 139.65 118.12 25.84 0.00 0.00
161
+ ATOM 161 C PTH 1 139.65 118.12 26.84 0.00 0.00
162
+ ATOM 162 C PTH 1 140.65 113.12 26.84 0.00 0.00
163
+ ATOM 163 C PTH 1 140.65 113.12 27.84 0.00 0.00
164
+ ATOM 164 C PTH 1 140.65 114.12 25.84 0.00 0.00
165
+ ATOM 165 C PTH 1 140.65 114.12 26.84 0.00 0.00
166
+ ATOM 166 C PTH 1 140.65 114.12 27.84 0.00 0.00
167
+ ATOM 167 C PTH 1 140.65 114.12 28.84 0.00 0.00
168
+ ATOM 168 C PTH 1 140.65 115.12 24.84 0.00 0.00
169
+ ATOM 169 C PTH 1 140.65 115.12 25.84 0.00 0.00
170
+ ATOM 170 C PTH 1 140.65 115.12 26.84 0.00 0.00
171
+ ATOM 171 C PTH 1 140.65 115.12 27.84 0.00 0.00
172
+ ATOM 172 C PTH 1 140.65 115.12 28.84 0.00 0.00
173
+ ATOM 173 C PTH 1 140.65 116.12 24.84 0.00 0.00
174
+ ATOM 174 C PTH 1 140.65 116.12 25.84 0.00 0.00
175
+ ATOM 175 C PTH 1 140.65 116.12 26.84 0.00 0.00
176
+ ATOM 176 C PTH 1 140.65 116.12 27.84 0.00 0.00
177
+ ATOM 177 C PTH 1 140.65 117.12 24.84 0.00 0.00
178
+ ATOM 178 C PTH 1 140.65 117.12 25.84 0.00 0.00
179
+ ATOM 179 C PTH 1 140.65 117.12 26.84 0.00 0.00
180
+ ATOM 180 C PTH 1 140.65 117.12 27.84 0.00 0.00
181
+ ATOM 181 C PTH 1 140.65 118.12 24.84 0.00 0.00
182
+ ATOM 182 C PTH 1 140.65 118.12 25.84 0.00 0.00
183
+ ATOM 183 C PTH 1 140.65 118.12 26.84 0.00 0.00
184
+ ATOM 184 C PTH 1 141.65 115.12 25.84 0.00 0.00
185
+ ATOM 185 C PTH 1 141.65 115.12 26.84 0.00 0.00
186
+ ATOM 186 C PTH 1 141.65 116.12 25.84 0.00 0.00
187
+ ATOM 187 C PTH 1 141.65 116.12 26.84 0.00 0.00
188
+ ATOM 188 C PTH 1 141.65 117.12 25.84 0.00 0.00
189
+ ATOM 189 C PTH 1 141.65 117.12 26.84 0.00 0.00
data/files/A007R/pocket_07.pdb ADDED
@@ -0,0 +1,158 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 75.65 123.12 97.84 0.00 0.00
2
+ ATOM 2 C PTH 1 76.65 121.12 97.84 0.00 0.00
3
+ ATOM 3 C PTH 1 76.65 122.12 95.84 0.00 0.00
4
+ ATOM 4 C PTH 1 76.65 122.12 96.84 0.00 0.00
5
+ ATOM 5 C PTH 1 76.65 122.12 97.84 0.00 0.00
6
+ ATOM 6 C PTH 1 76.65 122.12 98.84 0.00 0.00
7
+ ATOM 7 C PTH 1 76.65 122.12 99.84 0.00 0.00
8
+ ATOM 8 C PTH 1 76.65 123.12 95.84 0.00 0.00
9
+ ATOM 9 C PTH 1 76.65 123.12 96.84 0.00 0.00
10
+ ATOM 10 C PTH 1 76.65 123.12 97.84 0.00 0.00
11
+ ATOM 11 C PTH 1 76.65 123.12 98.84 0.00 0.00
12
+ ATOM 12 C PTH 1 76.65 123.12 99.84 0.00 0.00
13
+ ATOM 13 C PTH 1 76.65 123.12 100.84 0.00 0.00
14
+ ATOM 14 C PTH 1 76.65 124.12 95.84 0.00 0.00
15
+ ATOM 15 C PTH 1 76.65 124.12 96.84 0.00 0.00
16
+ ATOM 16 C PTH 1 76.65 124.12 97.84 0.00 0.00
17
+ ATOM 17 C PTH 1 76.65 124.12 98.84 0.00 0.00
18
+ ATOM 18 C PTH 1 76.65 124.12 99.84 0.00 0.00
19
+ ATOM 19 C PTH 1 77.65 121.12 97.84 0.00 0.00
20
+ ATOM 20 C PTH 1 77.65 121.12 98.84 0.00 0.00
21
+ ATOM 21 C PTH 1 77.65 121.12 99.84 0.00 0.00
22
+ ATOM 22 C PTH 1 77.65 122.12 95.84 0.00 0.00
23
+ ATOM 23 C PTH 1 77.65 122.12 96.84 0.00 0.00
24
+ ATOM 24 C PTH 1 77.65 122.12 97.84 0.00 0.00
25
+ ATOM 25 C PTH 1 77.65 122.12 98.84 0.00 0.00
26
+ ATOM 26 C PTH 1 77.65 122.12 99.84 0.00 0.00
27
+ ATOM 27 C PTH 1 77.65 122.12 100.84 0.00 0.00
28
+ ATOM 28 C PTH 1 77.65 122.12 101.84 0.00 0.00
29
+ ATOM 29 C PTH 1 77.65 123.12 95.84 0.00 0.00
30
+ ATOM 30 C PTH 1 77.65 123.12 96.84 0.00 0.00
31
+ ATOM 31 C PTH 1 77.65 123.12 97.84 0.00 0.00
32
+ ATOM 32 C PTH 1 77.65 123.12 98.84 0.00 0.00
33
+ ATOM 33 C PTH 1 77.65 123.12 99.84 0.00 0.00
34
+ ATOM 34 C PTH 1 77.65 123.12 100.84 0.00 0.00
35
+ ATOM 35 C PTH 1 77.65 124.12 95.84 0.00 0.00
36
+ ATOM 36 C PTH 1 77.65 124.12 96.84 0.00 0.00
37
+ ATOM 37 C PTH 1 77.65 124.12 97.84 0.00 0.00
38
+ ATOM 38 C PTH 1 77.65 124.12 98.84 0.00 0.00
39
+ ATOM 39 C PTH 1 77.65 124.12 99.84 0.00 0.00
40
+ ATOM 40 C PTH 1 77.65 124.12 100.84 0.00 0.00
41
+ ATOM 41 C PTH 1 77.65 124.12 101.84 0.00 0.00
42
+ ATOM 42 C PTH 1 77.65 125.12 96.84 0.00 0.00
43
+ ATOM 43 C PTH 1 77.65 125.12 97.84 0.00 0.00
44
+ ATOM 44 C PTH 1 77.65 125.12 98.84 0.00 0.00
45
+ ATOM 45 C PTH 1 77.65 125.12 99.84 0.00 0.00
46
+ ATOM 46 C PTH 1 77.65 125.12 100.84 0.00 0.00
47
+ ATOM 47 C PTH 1 77.65 126.12 97.84 0.00 0.00
48
+ ATOM 48 C PTH 1 77.65 126.12 98.84 0.00 0.00
49
+ ATOM 49 C PTH 1 77.65 126.12 99.84 0.00 0.00
50
+ ATOM 50 C PTH 1 78.65 121.12 96.84 0.00 0.00
51
+ ATOM 51 C PTH 1 78.65 121.12 97.84 0.00 0.00
52
+ ATOM 52 C PTH 1 78.65 121.12 98.84 0.00 0.00
53
+ ATOM 53 C PTH 1 78.65 121.12 99.84 0.00 0.00
54
+ ATOM 54 C PTH 1 78.65 122.12 95.84 0.00 0.00
55
+ ATOM 55 C PTH 1 78.65 122.12 96.84 0.00 0.00
56
+ ATOM 56 C PTH 1 78.65 122.12 97.84 0.00 0.00
57
+ ATOM 57 C PTH 1 78.65 122.12 98.84 0.00 0.00
58
+ ATOM 58 C PTH 1 78.65 122.12 99.84 0.00 0.00
59
+ ATOM 59 C PTH 1 78.65 122.12 100.84 0.00 0.00
60
+ ATOM 60 C PTH 1 78.65 122.12 101.84 0.00 0.00
61
+ ATOM 61 C PTH 1 78.65 123.12 95.84 0.00 0.00
62
+ ATOM 62 C PTH 1 78.65 123.12 96.84 0.00 0.00
63
+ ATOM 63 C PTH 1 78.65 123.12 97.84 0.00 0.00
64
+ ATOM 64 C PTH 1 78.65 123.12 98.84 0.00 0.00
65
+ ATOM 65 C PTH 1 78.65 123.12 99.84 0.00 0.00
66
+ ATOM 66 C PTH 1 78.65 123.12 100.84 0.00 0.00
67
+ ATOM 67 C PTH 1 78.65 123.12 101.84 0.00 0.00
68
+ ATOM 68 C PTH 1 78.65 124.12 95.84 0.00 0.00
69
+ ATOM 69 C PTH 1 78.65 124.12 96.84 0.00 0.00
70
+ ATOM 70 C PTH 1 78.65 124.12 97.84 0.00 0.00
71
+ ATOM 71 C PTH 1 78.65 124.12 98.84 0.00 0.00
72
+ ATOM 72 C PTH 1 78.65 124.12 99.84 0.00 0.00
73
+ ATOM 73 C PTH 1 78.65 124.12 100.84 0.00 0.00
74
+ ATOM 74 C PTH 1 78.65 124.12 101.84 0.00 0.00
75
+ ATOM 75 C PTH 1 78.65 125.12 96.84 0.00 0.00
76
+ ATOM 76 C PTH 1 78.65 125.12 97.84 0.00 0.00
77
+ ATOM 77 C PTH 1 78.65 125.12 98.84 0.00 0.00
78
+ ATOM 78 C PTH 1 78.65 125.12 99.84 0.00 0.00
79
+ ATOM 79 C PTH 1 78.65 125.12 100.84 0.00 0.00
80
+ ATOM 80 C PTH 1 78.65 126.12 96.84 0.00 0.00
81
+ ATOM 81 C PTH 1 78.65 126.12 97.84 0.00 0.00
82
+ ATOM 82 C PTH 1 78.65 126.12 98.84 0.00 0.00
83
+ ATOM 83 C PTH 1 78.65 126.12 99.84 0.00 0.00
84
+ ATOM 84 C PTH 1 78.65 126.12 100.84 0.00 0.00
85
+ ATOM 85 C PTH 1 79.65 120.12 99.84 0.00 0.00
86
+ ATOM 86 C PTH 1 79.65 120.12 100.84 0.00 0.00
87
+ ATOM 87 C PTH 1 79.65 121.12 97.84 0.00 0.00
88
+ ATOM 88 C PTH 1 79.65 121.12 98.84 0.00 0.00
89
+ ATOM 89 C PTH 1 79.65 121.12 99.84 0.00 0.00
90
+ ATOM 90 C PTH 1 79.65 121.12 100.84 0.00 0.00
91
+ ATOM 91 C PTH 1 79.65 122.12 96.84 0.00 0.00
92
+ ATOM 92 C PTH 1 79.65 122.12 97.84 0.00 0.00
93
+ ATOM 93 C PTH 1 79.65 122.12 98.84 0.00 0.00
94
+ ATOM 94 C PTH 1 79.65 122.12 99.84 0.00 0.00
95
+ ATOM 95 C PTH 1 79.65 122.12 100.84 0.00 0.00
96
+ ATOM 96 C PTH 1 79.65 122.12 101.84 0.00 0.00
97
+ ATOM 97 C PTH 1 79.65 123.12 96.84 0.00 0.00
98
+ ATOM 98 C PTH 1 79.65 123.12 97.84 0.00 0.00
99
+ ATOM 99 C PTH 1 79.65 123.12 98.84 0.00 0.00
100
+ ATOM 100 C PTH 1 79.65 123.12 99.84 0.00 0.00
101
+ ATOM 101 C PTH 1 79.65 123.12 100.84 0.00 0.00
102
+ ATOM 102 C PTH 1 79.65 123.12 101.84 0.00 0.00
103
+ ATOM 103 C PTH 1 79.65 124.12 95.84 0.00 0.00
104
+ ATOM 104 C PTH 1 79.65 124.12 96.84 0.00 0.00
105
+ ATOM 105 C PTH 1 79.65 124.12 97.84 0.00 0.00
106
+ ATOM 106 C PTH 1 79.65 124.12 98.84 0.00 0.00
107
+ ATOM 107 C PTH 1 79.65 124.12 99.84 0.00 0.00
108
+ ATOM 108 C PTH 1 79.65 124.12 100.84 0.00 0.00
109
+ ATOM 109 C PTH 1 79.65 124.12 101.84 0.00 0.00
110
+ ATOM 110 C PTH 1 79.65 125.12 96.84 0.00 0.00
111
+ ATOM 111 C PTH 1 79.65 125.12 97.84 0.00 0.00
112
+ ATOM 112 C PTH 1 79.65 125.12 98.84 0.00 0.00
113
+ ATOM 113 C PTH 1 79.65 125.12 99.84 0.00 0.00
114
+ ATOM 114 C PTH 1 79.65 125.12 100.84 0.00 0.00
115
+ ATOM 115 C PTH 1 79.65 125.12 101.84 0.00 0.00
116
+ ATOM 116 C PTH 1 79.65 126.12 96.84 0.00 0.00
117
+ ATOM 117 C PTH 1 79.65 126.12 97.84 0.00 0.00
118
+ ATOM 118 C PTH 1 79.65 126.12 98.84 0.00 0.00
119
+ ATOM 119 C PTH 1 79.65 126.12 99.84 0.00 0.00
120
+ ATOM 120 C PTH 1 79.65 126.12 100.84 0.00 0.00
121
+ ATOM 121 C PTH 1 79.65 127.12 97.84 0.00 0.00
122
+ ATOM 122 C PTH 1 79.65 127.12 98.84 0.00 0.00
123
+ ATOM 123 C PTH 1 79.65 127.12 99.84 0.00 0.00
124
+ ATOM 124 C PTH 1 80.65 121.12 98.84 0.00 0.00
125
+ ATOM 125 C PTH 1 80.65 121.12 99.84 0.00 0.00
126
+ ATOM 126 C PTH 1 80.65 121.12 100.84 0.00 0.00
127
+ ATOM 127 C PTH 1 80.65 122.12 98.84 0.00 0.00
128
+ ATOM 128 C PTH 1 80.65 122.12 99.84 0.00 0.00
129
+ ATOM 129 C PTH 1 80.65 122.12 100.84 0.00 0.00
130
+ ATOM 130 C PTH 1 80.65 122.12 101.84 0.00 0.00
131
+ ATOM 131 C PTH 1 80.65 123.12 97.84 0.00 0.00
132
+ ATOM 132 C PTH 1 80.65 123.12 98.84 0.00 0.00
133
+ ATOM 133 C PTH 1 80.65 123.12 99.84 0.00 0.00
134
+ ATOM 134 C PTH 1 80.65 123.12 100.84 0.00 0.00
135
+ ATOM 135 C PTH 1 80.65 123.12 101.84 0.00 0.00
136
+ ATOM 136 C PTH 1 80.65 124.12 97.84 0.00 0.00
137
+ ATOM 137 C PTH 1 80.65 124.12 98.84 0.00 0.00
138
+ ATOM 138 C PTH 1 80.65 124.12 99.84 0.00 0.00
139
+ ATOM 139 C PTH 1 80.65 124.12 100.84 0.00 0.00
140
+ ATOM 140 C PTH 1 80.65 124.12 101.84 0.00 0.00
141
+ ATOM 141 C PTH 1 80.65 125.12 97.84 0.00 0.00
142
+ ATOM 142 C PTH 1 80.65 125.12 98.84 0.00 0.00
143
+ ATOM 143 C PTH 1 80.65 125.12 99.84 0.00 0.00
144
+ ATOM 144 C PTH 1 80.65 125.12 100.84 0.00 0.00
145
+ ATOM 145 C PTH 1 80.65 125.12 101.84 0.00 0.00
146
+ ATOM 146 C PTH 1 80.65 126.12 97.84 0.00 0.00
147
+ ATOM 147 C PTH 1 80.65 126.12 98.84 0.00 0.00
148
+ ATOM 148 C PTH 1 80.65 126.12 99.84 0.00 0.00
149
+ ATOM 149 C PTH 1 80.65 126.12 100.84 0.00 0.00
150
+ ATOM 150 C PTH 1 80.65 127.12 98.84 0.00 0.00
151
+ ATOM 151 C PTH 1 80.65 127.12 99.84 0.00 0.00
152
+ ATOM 152 C PTH 1 80.65 127.12 100.84 0.00 0.00
153
+ ATOM 153 C PTH 1 81.65 124.12 99.84 0.00 0.00
154
+ ATOM 154 C PTH 1 81.65 125.12 98.84 0.00 0.00
155
+ ATOM 155 C PTH 1 81.65 125.12 99.84 0.00 0.00
156
+ ATOM 156 C PTH 1 81.65 125.12 100.84 0.00 0.00
157
+ ATOM 157 C PTH 1 81.65 126.12 99.84 0.00 0.00
158
+ ATOM 158 C PTH 1 81.65 126.12 100.84 0.00 0.00
data/files/A007R/pocket_09.pdb ADDED
@@ -0,0 +1,147 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 135.65 110.12 44.84 0.00 0.00
2
+ ATOM 2 C PTH 1 135.65 110.12 45.84 0.00 0.00
3
+ ATOM 3 C PTH 1 135.65 110.12 46.84 0.00 0.00
4
+ ATOM 4 C PTH 1 135.65 111.12 43.84 0.00 0.00
5
+ ATOM 5 C PTH 1 135.65 111.12 44.84 0.00 0.00
6
+ ATOM 6 C PTH 1 135.65 111.12 45.84 0.00 0.00
7
+ ATOM 7 C PTH 1 135.65 111.12 46.84 0.00 0.00
8
+ ATOM 8 C PTH 1 135.65 112.12 42.84 0.00 0.00
9
+ ATOM 9 C PTH 1 135.65 112.12 43.84 0.00 0.00
10
+ ATOM 10 C PTH 1 135.65 112.12 44.84 0.00 0.00
11
+ ATOM 11 C PTH 1 135.65 112.12 45.84 0.00 0.00
12
+ ATOM 12 C PTH 1 135.65 113.12 42.84 0.00 0.00
13
+ ATOM 13 C PTH 1 135.65 113.12 43.84 0.00 0.00
14
+ ATOM 14 C PTH 1 135.65 114.12 42.84 0.00 0.00
15
+ ATOM 15 C PTH 1 135.65 114.12 43.84 0.00 0.00
16
+ ATOM 16 C PTH 1 136.65 110.12 43.84 0.00 0.00
17
+ ATOM 17 C PTH 1 136.65 110.12 44.84 0.00 0.00
18
+ ATOM 18 C PTH 1 136.65 110.12 45.84 0.00 0.00
19
+ ATOM 19 C PTH 1 136.65 110.12 46.84 0.00 0.00
20
+ ATOM 20 C PTH 1 136.65 111.12 42.84 0.00 0.00
21
+ ATOM 21 C PTH 1 136.65 111.12 43.84 0.00 0.00
22
+ ATOM 22 C PTH 1 136.65 111.12 44.84 0.00 0.00
23
+ ATOM 23 C PTH 1 136.65 111.12 45.84 0.00 0.00
24
+ ATOM 24 C PTH 1 136.65 111.12 46.84 0.00 0.00
25
+ ATOM 25 C PTH 1 136.65 112.12 42.84 0.00 0.00
26
+ ATOM 26 C PTH 1 136.65 112.12 43.84 0.00 0.00
27
+ ATOM 27 C PTH 1 136.65 112.12 44.84 0.00 0.00
28
+ ATOM 28 C PTH 1 136.65 112.12 45.84 0.00 0.00
29
+ ATOM 29 C PTH 1 136.65 112.12 46.84 0.00 0.00
30
+ ATOM 30 C PTH 1 136.65 113.12 42.84 0.00 0.00
31
+ ATOM 31 C PTH 1 136.65 113.12 43.84 0.00 0.00
32
+ ATOM 32 C PTH 1 136.65 113.12 44.84 0.00 0.00
33
+ ATOM 33 C PTH 1 136.65 113.12 45.84 0.00 0.00
34
+ ATOM 34 C PTH 1 136.65 114.12 41.84 0.00 0.00
35
+ ATOM 35 C PTH 1 136.65 114.12 42.84 0.00 0.00
36
+ ATOM 36 C PTH 1 136.65 114.12 43.84 0.00 0.00
37
+ ATOM 37 C PTH 1 136.65 114.12 44.84 0.00 0.00
38
+ ATOM 38 C PTH 1 136.65 115.12 42.84 0.00 0.00
39
+ ATOM 39 C PTH 1 136.65 115.12 43.84 0.00 0.00
40
+ ATOM 40 C PTH 1 136.65 116.12 42.84 0.00 0.00
41
+ ATOM 41 C PTH 1 137.65 110.12 43.84 0.00 0.00
42
+ ATOM 42 C PTH 1 137.65 110.12 44.84 0.00 0.00
43
+ ATOM 43 C PTH 1 137.65 110.12 45.84 0.00 0.00
44
+ ATOM 44 C PTH 1 137.65 110.12 46.84 0.00 0.00
45
+ ATOM 45 C PTH 1 137.65 111.12 42.84 0.00 0.00
46
+ ATOM 46 C PTH 1 137.65 111.12 43.84 0.00 0.00
47
+ ATOM 47 C PTH 1 137.65 111.12 44.84 0.00 0.00
48
+ ATOM 48 C PTH 1 137.65 111.12 45.84 0.00 0.00
49
+ ATOM 49 C PTH 1 137.65 111.12 46.84 0.00 0.00
50
+ ATOM 50 C PTH 1 137.65 112.12 42.84 0.00 0.00
51
+ ATOM 51 C PTH 1 137.65 112.12 43.84 0.00 0.00
52
+ ATOM 52 C PTH 1 137.65 112.12 44.84 0.00 0.00
53
+ ATOM 53 C PTH 1 137.65 112.12 45.84 0.00 0.00
54
+ ATOM 54 C PTH 1 137.65 112.12 46.84 0.00 0.00
55
+ ATOM 55 C PTH 1 137.65 113.12 42.84 0.00 0.00
56
+ ATOM 56 C PTH 1 137.65 113.12 43.84 0.00 0.00
57
+ ATOM 57 C PTH 1 137.65 113.12 44.84 0.00 0.00
58
+ ATOM 58 C PTH 1 137.65 113.12 45.84 0.00 0.00
59
+ ATOM 59 C PTH 1 137.65 114.12 41.84 0.00 0.00
60
+ ATOM 60 C PTH 1 137.65 114.12 42.84 0.00 0.00
61
+ ATOM 61 C PTH 1 137.65 114.12 43.84 0.00 0.00
62
+ ATOM 62 C PTH 1 137.65 114.12 44.84 0.00 0.00
63
+ ATOM 63 C PTH 1 137.65 115.12 41.84 0.00 0.00
64
+ ATOM 64 C PTH 1 137.65 115.12 42.84 0.00 0.00
65
+ ATOM 65 C PTH 1 137.65 115.12 43.84 0.00 0.00
66
+ ATOM 66 C PTH 1 137.65 115.12 44.84 0.00 0.00
67
+ ATOM 67 C PTH 1 137.65 116.12 41.84 0.00 0.00
68
+ ATOM 68 C PTH 1 137.65 116.12 42.84 0.00 0.00
69
+ ATOM 69 C PTH 1 137.65 116.12 43.84 0.00 0.00
70
+ ATOM 70 C PTH 1 137.65 117.12 42.84 0.00 0.00
71
+ ATOM 71 C PTH 1 138.65 110.12 44.84 0.00 0.00
72
+ ATOM 72 C PTH 1 138.65 110.12 45.84 0.00 0.00
73
+ ATOM 73 C PTH 1 138.65 111.12 43.84 0.00 0.00
74
+ ATOM 74 C PTH 1 138.65 111.12 44.84 0.00 0.00
75
+ ATOM 75 C PTH 1 138.65 111.12 45.84 0.00 0.00
76
+ ATOM 76 C PTH 1 138.65 112.12 42.84 0.00 0.00
77
+ ATOM 77 C PTH 1 138.65 112.12 43.84 0.00 0.00
78
+ ATOM 78 C PTH 1 138.65 112.12 44.84 0.00 0.00
79
+ ATOM 79 C PTH 1 138.65 112.12 45.84 0.00 0.00
80
+ ATOM 80 C PTH 1 138.65 113.12 42.84 0.00 0.00
81
+ ATOM 81 C PTH 1 138.65 113.12 43.84 0.00 0.00
82
+ ATOM 82 C PTH 1 138.65 113.12 44.84 0.00 0.00
83
+ ATOM 83 C PTH 1 138.65 113.12 45.84 0.00 0.00
84
+ ATOM 84 C PTH 1 138.65 114.12 41.84 0.00 0.00
85
+ ATOM 85 C PTH 1 138.65 114.12 42.84 0.00 0.00
86
+ ATOM 86 C PTH 1 138.65 114.12 43.84 0.00 0.00
87
+ ATOM 87 C PTH 1 138.65 114.12 44.84 0.00 0.00
88
+ ATOM 88 C PTH 1 138.65 115.12 41.84 0.00 0.00
89
+ ATOM 89 C PTH 1 138.65 115.12 42.84 0.00 0.00
90
+ ATOM 90 C PTH 1 138.65 115.12 43.84 0.00 0.00
91
+ ATOM 91 C PTH 1 138.65 115.12 44.84 0.00 0.00
92
+ ATOM 92 C PTH 1 138.65 116.12 41.84 0.00 0.00
93
+ ATOM 93 C PTH 1 138.65 116.12 42.84 0.00 0.00
94
+ ATOM 94 C PTH 1 138.65 116.12 43.84 0.00 0.00
95
+ ATOM 95 C PTH 1 138.65 116.12 44.84 0.00 0.00
96
+ ATOM 96 C PTH 1 138.65 117.12 41.84 0.00 0.00
97
+ ATOM 97 C PTH 1 138.65 117.12 42.84 0.00 0.00
98
+ ATOM 98 C PTH 1 139.65 113.12 42.84 0.00 0.00
99
+ ATOM 99 C PTH 1 139.65 113.12 43.84 0.00 0.00
100
+ ATOM 100 C PTH 1 139.65 113.12 44.84 0.00 0.00
101
+ ATOM 101 C PTH 1 139.65 114.12 41.84 0.00 0.00
102
+ ATOM 102 C PTH 1 139.65 114.12 42.84 0.00 0.00
103
+ ATOM 103 C PTH 1 139.65 114.12 43.84 0.00 0.00
104
+ ATOM 104 C PTH 1 139.65 114.12 44.84 0.00 0.00
105
+ ATOM 105 C PTH 1 139.65 115.12 40.84 0.00 0.00
106
+ ATOM 106 C PTH 1 139.65 115.12 41.84 0.00 0.00
107
+ ATOM 107 C PTH 1 139.65 115.12 42.84 0.00 0.00
108
+ ATOM 108 C PTH 1 139.65 115.12 43.84 0.00 0.00
109
+ ATOM 109 C PTH 1 139.65 115.12 44.84 0.00 0.00
110
+ ATOM 110 C PTH 1 139.65 116.12 41.84 0.00 0.00
111
+ ATOM 111 C PTH 1 139.65 116.12 42.84 0.00 0.00
112
+ ATOM 112 C PTH 1 139.65 116.12 43.84 0.00 0.00
113
+ ATOM 113 C PTH 1 139.65 116.12 44.84 0.00 0.00
114
+ ATOM 114 C PTH 1 139.65 117.12 41.84 0.00 0.00
115
+ ATOM 115 C PTH 1 139.65 117.12 42.84 0.00 0.00
116
+ ATOM 116 C PTH 1 139.65 117.12 43.84 0.00 0.00
117
+ ATOM 117 C PTH 1 139.65 117.12 44.84 0.00 0.00
118
+ ATOM 118 C PTH 1 140.65 113.12 42.84 0.00 0.00
119
+ ATOM 119 C PTH 1 140.65 113.12 43.84 0.00 0.00
120
+ ATOM 120 C PTH 1 140.65 114.12 41.84 0.00 0.00
121
+ ATOM 121 C PTH 1 140.65 114.12 42.84 0.00 0.00
122
+ ATOM 122 C PTH 1 140.65 114.12 43.84 0.00 0.00
123
+ ATOM 123 C PTH 1 140.65 114.12 44.84 0.00 0.00
124
+ ATOM 124 C PTH 1 140.65 115.12 41.84 0.00 0.00
125
+ ATOM 125 C PTH 1 140.65 115.12 42.84 0.00 0.00
126
+ ATOM 126 C PTH 1 140.65 115.12 43.84 0.00 0.00
127
+ ATOM 127 C PTH 1 140.65 115.12 44.84 0.00 0.00
128
+ ATOM 128 C PTH 1 140.65 116.12 41.84 0.00 0.00
129
+ ATOM 129 C PTH 1 140.65 116.12 42.84 0.00 0.00
130
+ ATOM 130 C PTH 1 140.65 116.12 43.84 0.00 0.00
131
+ ATOM 131 C PTH 1 140.65 116.12 44.84 0.00 0.00
132
+ ATOM 132 C PTH 1 140.65 117.12 41.84 0.00 0.00
133
+ ATOM 133 C PTH 1 140.65 117.12 42.84 0.00 0.00
134
+ ATOM 134 C PTH 1 140.65 117.12 43.84 0.00 0.00
135
+ ATOM 135 C PTH 1 140.65 117.12 44.84 0.00 0.00
136
+ ATOM 136 C PTH 1 141.65 114.12 41.84 0.00 0.00
137
+ ATOM 137 C PTH 1 141.65 114.12 42.84 0.00 0.00
138
+ ATOM 138 C PTH 1 141.65 114.12 43.84 0.00 0.00
139
+ ATOM 139 C PTH 1 141.65 115.12 42.84 0.00 0.00
140
+ ATOM 140 C PTH 1 141.65 115.12 43.84 0.00 0.00
141
+ ATOM 141 C PTH 1 141.65 115.12 44.84 0.00 0.00
142
+ ATOM 142 C PTH 1 141.65 116.12 41.84 0.00 0.00
143
+ ATOM 143 C PTH 1 141.65 116.12 42.84 0.00 0.00
144
+ ATOM 144 C PTH 1 141.65 116.12 43.84 0.00 0.00
145
+ ATOM 145 C PTH 1 141.65 116.12 44.84 0.00 0.00
146
+ ATOM 146 C PTH 1 141.65 117.12 42.84 0.00 0.00
147
+ ATOM 147 C PTH 1 141.65 117.12 43.84 0.00 0.00