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- .gitattributes +50 -0
- 5j6m_ligand_11_580_dock/MCpath1.xyz +52 -0
- 5j6m_ligand_11_580_dock/MCpath10.xyz +45 -0
- 5j6m_ligand_11_580_dock/MCpath11.xyz +37 -0
- 5j6m_ligand_11_580_dock/MCpath12.xyz +19 -0
- 5j6m_ligand_11_580_dock/MCpath13.xyz +10 -0
- 5j6m_ligand_11_580_dock/MCpath14.xyz +69 -0
- 5j6m_ligand_11_580_dock/MCpath15.xyz +62 -0
- 5j6m_ligand_11_580_dock/MCpath16.xyz +56 -0
- 5j6m_ligand_11_580_dock/MCpath17.xyz +40 -0
- 5j6m_ligand_11_580_dock/MCpath18.xyz +35 -0
- 5j6m_ligand_11_580_dock/MCpath19.xyz +45 -0
- 5j6m_ligand_11_580_dock/MCpath2.xyz +47 -0
- 5j6m_ligand_11_580_dock/MCpath20.xyz +63 -0
- 5j6m_ligand_11_580_dock/MCpath21.xyz +69 -0
- 5j6m_ligand_11_580_dock/MCpath22.xyz +40 -0
- 5j6m_ligand_11_580_dock/MCpath23.xyz +75 -0
- 5j6m_ligand_11_580_dock/MCpath24.xyz +41 -0
- 5j6m_ligand_11_580_dock/MCpath25.xyz +53 -0
- 5j6m_ligand_11_580_dock/MCpath26.xyz +60 -0
- 5j6m_ligand_11_580_dock/MCpath27.xyz +55 -0
- 5j6m_ligand_11_580_dock/MCpath28.xyz +59 -0
- 5j6m_ligand_11_580_dock/MCpath29.xyz +37 -0
- 5j6m_ligand_11_580_dock/MCpath3.xyz +39 -0
- 5j6m_ligand_11_580_dock/MCpath30.xyz +66 -0
- 5j6m_ligand_11_580_dock/MCpath31.xyz +6 -0
- 5j6m_ligand_11_580_dock/MCpath32.xyz +63 -0
- 5j6m_ligand_11_580_dock/MCpath33.xyz +6 -0
- 5j6m_ligand_11_580_dock/MCpath34.xyz +23 -0
- 5j6m_ligand_11_580_dock/MCpath35.xyz +71 -0
- 5j6m_ligand_11_580_dock/MCpath36.xyz +82 -0
- 5j6m_ligand_11_580_dock/MCpath37.xyz +48 -0
- 5j6m_ligand_11_580_dock/MCpath38.xyz +63 -0
- 5j6m_ligand_11_580_dock/MCpath39.xyz +30 -0
- 5j6m_ligand_11_580_dock/MCpath4.xyz +66 -0
- 5j6m_ligand_11_580_dock/MCpath40.xyz +51 -0
- 5j6m_ligand_11_580_dock/MCpath41.xyz +69 -0
- 5j6m_ligand_11_580_dock/MCpath42.xyz +40 -0
- 5j6m_ligand_11_580_dock/MCpath43.xyz +47 -0
- 5j6m_ligand_11_580_dock/MCpath44.xyz +34 -0
- 5j6m_ligand_11_580_dock/MCpath45.xyz +44 -0
- 5j6m_ligand_11_580_dock/MCpath46.xyz +37 -0
- 5j6m_ligand_11_580_dock/MCpath47.xyz +43 -0
- 5j6m_ligand_11_580_dock/MCpath48.xyz +78 -0
- 5j6m_ligand_11_580_dock/MCpath49.xyz +32 -0
- 5j6m_ligand_11_580_dock/MCpath5.xyz +58 -0
- 5j6m_ligand_11_580_dock/MCpath50.xyz +40 -0
- 5j6m_ligand_11_580_dock/MCpath6.xyz +92 -0
- 5j6m_ligand_11_580_dock/MCpath7.xyz +36 -0
- 5j6m_ligand_11_580_dock/MCpath8.xyz +39 -0
.gitattributes
CHANGED
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| 5219 |
5iub_ligand_native_245/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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| 5219 |
5iub_ligand_native_245/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5iub_ligand_native_245/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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| 5221 |
5iub_ligand_native_245/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig1.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig10.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig11.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig12.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig13.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig14.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig15.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig16.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig17.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig18.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig19.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig2.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig20.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig21.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig22.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig23.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig24.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig25.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig26.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig27.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig28.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig29.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig3.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig30.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig31.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig32.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig33.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig34.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig35.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig36.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig37.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig38.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig39.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig4.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig40.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig41.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig42.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig43.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig44.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig45.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig47.h5md filter=lfs diff=lfs merge=lfs -text
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| 5264 |
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5j6m_ligand_11_580_dock/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
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| 5265 |
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5j6m_ligand_11_580_dock/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
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| 5266 |
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5j6m_ligand_11_580_dock/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
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| 5267 |
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5j6m_ligand_11_580_dock/Pro_lig50.h5md filter=lfs diff=lfs merge=lfs -text
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| 5268 |
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5j6m_ligand_11_580_dock/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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| 5269 |
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5j6m_ligand_11_580_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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| 5271 |
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5j6m_ligand_11_580_dock/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_11_580_dock/MCpath1.xyz
ADDED
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S 43.3607 72.2474 49.6394
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S 43.6668 72.6449 49.6487
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5j6m_ligand_11_580_dock/MCpath10.xyz
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S 43.5623 72.3500 49.3155
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S 43.5211 72.4789 49.3196
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S 43.5231 72.4504 49.4142
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S 43.5893 72.3533 49.5307
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S 43.4531 72.5274 49.7104
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S 43.4644 72.6506 49.7696
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S 43.4815 72.7681 49.7324
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5j6m_ligand_11_580_dock/MCpath11.xyz
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|
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|
| 1 |
+
35
|
| 2 |
+
35
|
| 3 |
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| 4 |
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S 43.7620 71.7923 49.6441
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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|
| 9 |
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S 43.6952 72.1078 49.3203
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| 10 |
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| 11 |
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| 12 |
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S 43.7640 71.8939 49.5552
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| 13 |
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S 43.7151 71.8781 49.6119
|
| 14 |
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S 43.6716 71.9066 49.6169
|
| 15 |
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|
| 16 |
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S 43.5921 72.2055 49.6021
|
| 17 |
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S 43.5137 72.3459 49.5264
|
| 18 |
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S 43.4950 72.4770 49.5048
|
| 19 |
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S 43.5928 72.4779 49.4687
|
| 20 |
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S 43.6926 72.3545 49.4377
|
| 21 |
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S 43.7203 72.2165 49.4783
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| 22 |
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S 43.5671 72.1680 49.5283
|
| 23 |
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S 43.4986 72.1628 49.5993
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| 24 |
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S 43.5072 72.1258 49.6334
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| 25 |
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S 43.4964 72.1666 49.6358
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| 26 |
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S 43.4931 72.2948 49.5820
|
| 27 |
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S 43.4860 72.3998 49.5476
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| 28 |
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S 43.4696 72.3730 49.6512
|
| 29 |
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S 43.5116 72.2848 49.6010
|
| 30 |
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S 43.4731 72.1695 49.5190
|
| 31 |
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S 43.3812 72.2296 49.5098
|
| 32 |
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S 43.4322 72.3234 49.5259
|
| 33 |
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S 43.5969 72.2875 49.5029
|
| 34 |
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S 43.6731 72.3117 49.4960
|
| 35 |
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S 43.5797 72.4662 49.5901
|
| 36 |
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S 43.5002 72.6612 49.6211
|
| 37 |
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S 43.5617 72.7040 49.5220
|
5j6m_ligand_11_580_dock/MCpath12.xyz
ADDED
|
@@ -0,0 +1,19 @@
|
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|
| 1 |
+
17
|
| 2 |
+
17
|
| 3 |
+
S 43.7056 72.0537 49.6052
|
| 4 |
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S 43.6962 71.9673 49.6252
|
| 5 |
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S 43.6765 71.8973 49.6002
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| 6 |
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S 43.6527 71.8616 49.6642
|
| 7 |
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S 43.6332 71.8770 49.7524
|
| 8 |
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S 43.6837 71.8694 49.8316
|
| 9 |
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S 43.7042 71.8954 49.7745
|
| 10 |
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S 43.7370 71.9771 49.6576
|
| 11 |
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S 43.6909 72.1368 49.5777
|
| 12 |
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S 43.6374 72.2225 49.4987
|
| 13 |
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S 43.6290 72.3090 49.4023
|
| 14 |
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S 43.6455 72.2512 49.3333
|
| 15 |
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S 43.6845 72.2082 49.3055
|
| 16 |
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S 43.6834 72.1539 49.3233
|
| 17 |
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S 43.7668 72.0957 49.3421
|
| 18 |
+
S 43.8377 72.1408 49.3860
|
| 19 |
+
S 43.9990 72.2092 49.3655
|
5j6m_ligand_11_580_dock/MCpath13.xyz
ADDED
|
@@ -0,0 +1,10 @@
|
|
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|
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|
|
|
|
|
|
|
|
| 1 |
+
8
|
| 2 |
+
8
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| 3 |
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| 4 |
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S 43.7747 71.9817 49.4891
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| 5 |
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S 43.8109 72.0258 49.4208
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| 6 |
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|
| 7 |
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S 43.7058 72.1313 49.5048
|
| 8 |
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S 43.7666 72.1511 49.4970
|
| 9 |
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S 43.8900 72.1450 49.4538
|
| 10 |
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S 43.9718 72.1329 49.3993
|
5j6m_ligand_11_580_dock/MCpath14.xyz
ADDED
|
@@ -0,0 +1,69 @@
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|
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|
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|
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| 1 |
+
67
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| 2 |
+
67
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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S 43.5419 71.9319 49.5814
|
| 8 |
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S 43.4797 71.9063 49.6087
|
| 9 |
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| 10 |
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| 11 |
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| 12 |
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|
| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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S 43.3889 72.3757 49.6826
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| 19 |
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S 43.4297 72.3887 49.6444
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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S 43.6393 72.3952 49.3125
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| 24 |
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S 43.6704 72.4038 49.4412
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| 25 |
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S 43.6520 72.3842 49.5097
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| 26 |
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S 43.5953 72.4322 49.5556
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| 27 |
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S 43.5416 72.4479 49.5621
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| 28 |
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S 43.4110 72.4338 49.5397
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| 29 |
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S 43.3396 72.4057 49.4973
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| 30 |
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| 31 |
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| 32 |
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S 43.4925 72.4710 49.2990
|
| 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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S 43.5589 72.6095 49.7131
|
| 38 |
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S 43.4404 72.5517 49.8472
|
| 39 |
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S 43.4374 72.4434 50.0063
|
| 40 |
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S 43.3219 72.3435 50.3372
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| 41 |
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S 43.2430 72.3173 50.7680
|
| 42 |
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S 43.1039 72.2786 51.0787
|
| 43 |
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S 43.0195 72.1489 51.2629
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| 44 |
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S 42.9551 72.0803 51.3029
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| 45 |
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| 46 |
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S 42.8049 71.8453 51.1522
|
| 47 |
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S 42.7841 71.8021 50.9806
|
| 48 |
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S 42.8281 71.7994 50.7733
|
| 49 |
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S 42.7093 71.7929 50.4945
|
| 50 |
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S 42.5660 71.8615 50.3908
|
| 51 |
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S 42.3348 72.0125 50.4542
|
| 52 |
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S 42.2174 71.9946 50.6315
|
| 53 |
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S 42.1836 71.9611 50.7282
|
| 54 |
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S 42.2009 71.9165 50.7352
|
| 55 |
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S 42.2794 71.8734 50.7082
|
| 56 |
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S 42.2868 71.8407 50.7208
|
| 57 |
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S 42.2461 71.8814 50.7719
|
| 58 |
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S 42.1015 71.9251 50.8777
|
| 59 |
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| 60 |
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|
| 61 |
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S 42.1492 72.3179 50.8074
|
| 62 |
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|
| 63 |
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|
| 64 |
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S 42.4529 72.6614 50.7465
|
| 65 |
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|
| 66 |
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|
| 67 |
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S 42.8853 73.1915 50.3925
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| 68 |
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|
| 69 |
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S 43.2101 73.6932 50.0135
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5j6m_ligand_11_580_dock/MCpath15.xyz
ADDED
|
@@ -0,0 +1,62 @@
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|
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|
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|
| 1 |
+
60
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| 2 |
+
60
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| 3 |
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| 4 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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S 43.6578 72.0646 49.6987
|
| 12 |
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S 43.5365 72.1269 49.6522
|
| 13 |
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S 43.5351 72.1775 49.6413
|
| 14 |
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S 43.5448 72.0947 49.6931
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| 15 |
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|
| 16 |
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|
| 17 |
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S 43.5909 72.1124 49.5144
|
| 18 |
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S 43.5748 72.0763 49.4729
|
| 19 |
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S 43.5495 72.0523 49.4717
|
| 20 |
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S 43.5091 72.0512 49.4260
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| 21 |
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S 43.4917 72.0681 49.4729
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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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S 43.5293 72.4354 49.9207
|
| 27 |
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S 43.5923 72.3977 49.8236
|
| 28 |
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S 43.6073 72.2979 49.7292
|
| 29 |
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S 43.6100 72.2613 49.6456
|
| 30 |
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S 43.6261 72.2129 49.5681
|
| 31 |
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S 43.5636 72.2353 49.4843
|
| 32 |
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S 43.5303 72.3490 49.5140
|
| 33 |
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S 43.5307 72.4004 49.5808
|
| 34 |
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S 43.5618 72.4085 49.6236
|
| 35 |
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S 43.5100 72.5517 49.7000
|
| 36 |
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S 43.5693 72.6429 49.7291
|
| 37 |
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S 43.6419 72.6568 49.7039
|
| 38 |
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S 43.5566 72.6172 49.6300
|
| 39 |
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S 43.4837 72.6063 49.5765
|
| 40 |
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S 43.3367 72.5729 49.5219
|
| 41 |
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S 43.2562 72.5447 49.4341
|
| 42 |
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S 43.2387 72.5776 49.3241
|
| 43 |
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S 43.2829 72.5780 49.3123
|
| 44 |
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S 43.3852 72.5361 49.3045
|
| 45 |
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S 43.4169 72.4276 49.3160
|
| 46 |
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S 43.3881 72.3606 49.3467
|
| 47 |
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S 43.3864 72.3700 49.3836
|
| 48 |
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S 43.4432 72.4346 49.4585
|
| 49 |
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S 43.5111 72.3505 49.4313
|
| 50 |
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S 43.6148 72.2667 49.3755
|
| 51 |
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S 43.6487 72.3006 49.3857
|
| 52 |
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S 43.6177 72.3708 49.4213
|
| 53 |
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S 43.5627 72.3918 49.5116
|
| 54 |
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S 43.4904 72.3833 49.5412
|
| 55 |
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S 43.4496 72.3169 49.5813
|
| 56 |
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S 43.4218 72.3537 49.6495
|
| 57 |
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S 43.3351 72.3744 49.6614
|
| 58 |
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S 43.2538 72.4398 49.6852
|
| 59 |
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S 43.2744 72.4838 49.5634
|
| 60 |
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S 43.2703 72.5694 49.4831
|
| 61 |
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S 43.2713 72.6882 49.3667
|
| 62 |
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|
5j6m_ligand_11_580_dock/MCpath16.xyz
ADDED
|
@@ -0,0 +1,56 @@
|
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|
| 1 |
+
54
|
| 2 |
+
54
|
| 3 |
+
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|
| 4 |
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S 43.7248 71.9251 49.7219
|
| 5 |
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|
| 6 |
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|
| 7 |
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S 43.7137 71.7279 49.6527
|
| 8 |
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S 43.7286 71.7947 49.6040
|
| 9 |
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S 43.7637 71.9594 49.5624
|
| 10 |
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S 43.7693 72.1221 49.6659
|
| 11 |
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S 43.7141 72.2353 49.7427
|
| 12 |
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S 43.6486 72.2308 49.7137
|
| 13 |
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S 43.5990 72.1729 49.6825
|
| 14 |
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S 43.6050 72.2367 49.6130
|
| 15 |
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S 43.6006 72.2232 49.5471
|
| 16 |
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S 43.5843 72.1024 49.5047
|
| 17 |
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S 43.5954 72.0701 49.4418
|
| 18 |
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S 43.5738 72.0800 49.3619
|
| 19 |
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S 43.6099 72.1080 49.3857
|
| 20 |
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S 43.7236 72.0345 49.3980
|
| 21 |
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S 43.7242 72.1484 49.4153
|
| 22 |
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S 43.5713 72.2245 49.5343
|
| 23 |
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S 43.5068 72.1971 49.6951
|
| 24 |
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S 43.4861 72.1243 49.7738
|
| 25 |
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S 43.5392 72.0783 49.7920
|
| 26 |
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S 43.5237 72.1337 49.8123
|
| 27 |
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S 43.4822 72.2492 49.8316
|
| 28 |
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S 43.5042 72.2202 49.8525
|
| 29 |
+
S 43.5646 72.2099 49.7579
|
| 30 |
+
S 43.5732 72.2659 49.5986
|
| 31 |
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|
| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 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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5j6m_ligand_11_580_dock/MCpath17.xyz
ADDED
|
@@ -0,0 +1,40 @@
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| 1 |
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38
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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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| 39 |
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| 40 |
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5j6m_ligand_11_580_dock/MCpath18.xyz
ADDED
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@@ -0,0 +1,35 @@
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| 1 |
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33
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| 35 |
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5j6m_ligand_11_580_dock/MCpath19.xyz
ADDED
|
@@ -0,0 +1,45 @@
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43
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| 32 |
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| 33 |
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5j6m_ligand_11_580_dock/MCpath2.xyz
ADDED
|
@@ -0,0 +1,47 @@
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| 1 |
+
45
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| 2 |
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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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| 39 |
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| 42 |
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| 47 |
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|
5j6m_ligand_11_580_dock/MCpath20.xyz
ADDED
|
@@ -0,0 +1,63 @@
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| 1 |
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61
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61
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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|
| 37 |
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|
| 38 |
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S 43.5168 72.6376 49.5083
|
| 39 |
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S 43.5660 72.5444 49.4923
|
| 40 |
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S 43.5742 72.3681 49.4269
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| 41 |
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S 43.6290 72.2799 49.3745
|
| 42 |
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S 43.6156 72.2444 49.3360
|
| 43 |
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S 43.5999 72.2444 49.3609
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| 44 |
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S 43.5038 72.3135 49.4454
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| 45 |
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S 43.4012 72.3926 49.5013
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| 46 |
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S 43.4443 72.4963 49.5212
|
| 47 |
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S 43.5326 72.5463 49.5630
|
| 48 |
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S 43.5380 72.5890 49.5326
|
| 49 |
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S 43.4941 72.5507 49.5667
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| 50 |
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S 43.4589 72.4732 49.5618
|
| 51 |
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S 43.4960 72.4604 49.5879
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| 52 |
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S 43.5202 72.5371 49.7073
|
| 53 |
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S 43.4853 72.6159 49.7528
|
| 54 |
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S 43.4853 72.6057 49.7160
|
| 55 |
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| 56 |
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S 43.4384 72.5970 49.6535
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| 57 |
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S 43.4463 72.5670 49.5907
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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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S 43.5373 72.6000 49.3454
|
| 63 |
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S 43.5978 72.7162 49.3942
|
5j6m_ligand_11_580_dock/MCpath21.xyz
ADDED
|
@@ -0,0 +1,69 @@
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| 1 |
+
67
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| 13 |
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| 14 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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S 43.4987 72.2516 49.7707
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| 24 |
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S 43.4259 72.2511 49.8245
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| 25 |
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S 43.3878 72.2508 49.7839
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| 26 |
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S 43.3542 72.3089 49.6433
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| 27 |
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S 43.3777 72.4107 49.5481
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| 28 |
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S 43.5087 72.4379 49.4277
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| 29 |
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S 43.6575 72.4080 49.3802
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| 30 |
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S 43.6648 72.3239 49.3712
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| 31 |
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S 43.7302 72.3212 49.4871
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| 32 |
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S 43.7680 72.3007 49.5471
|
| 33 |
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S 43.8487 72.2255 49.5614
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| 34 |
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|
| 35 |
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| 36 |
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S 43.4617 72.3300 49.5792
|
| 37 |
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S 43.3206 72.3783 49.5130
|
| 38 |
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S 43.2975 72.3923 49.4394
|
| 39 |
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S 43.3575 72.4548 49.3950
|
| 40 |
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S 43.4607 72.4527 49.2918
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| 41 |
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S 43.4445 72.3894 49.1465
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| 42 |
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| 43 |
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S 43.3585 72.4483 49.2406
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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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| 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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5j6m_ligand_11_580_dock/MCpath22.xyz
ADDED
|
@@ -0,0 +1,40 @@
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|
| 1 |
+
38
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38
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| 8 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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5j6m_ligand_11_580_dock/MCpath23.xyz
ADDED
|
@@ -0,0 +1,75 @@
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| 1 |
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73
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| 2 |
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73
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| 16 |
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| 17 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 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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| 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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S 43.5655 72.5595 49.7438
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| 50 |
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| 51 |
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| 52 |
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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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S 43.1704 72.4639 49.6431
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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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S 43.6822 72.6315 49.3543
|
| 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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|
5j6m_ligand_11_580_dock/MCpath24.xyz
ADDED
|
@@ -0,0 +1,41 @@
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|
| 1 |
+
39
|
| 2 |
+
39
|
| 3 |
+
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|
| 4 |
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|
| 5 |
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| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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S 43.6286 72.2224 49.6796
|
| 10 |
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|
| 11 |
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S 43.6256 72.1067 49.7992
|
| 12 |
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S 43.5569 72.0800 49.7789
|
| 13 |
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S 43.6180 72.0671 49.7305
|
| 14 |
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S 43.6868 72.1588 49.6571
|
| 15 |
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S 43.6198 72.2917 49.7013
|
| 16 |
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S 43.5089 72.2983 49.7274
|
| 17 |
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S 43.4469 72.2744 49.8438
|
| 18 |
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S 43.4718 72.1929 49.8353
|
| 19 |
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S 43.5651 72.2319 49.8181
|
| 20 |
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|
| 21 |
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|
| 22 |
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S 43.6769 72.1747 49.5880
|
| 23 |
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S 43.6557 72.0954 49.4767
|
| 24 |
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|
| 25 |
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| 26 |
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S 43.5962 72.3367 49.2975
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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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5j6m_ligand_11_580_dock/MCpath25.xyz
ADDED
|
@@ -0,0 +1,53 @@
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| 1 |
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51
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| 28 |
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| 29 |
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| 30 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 52 |
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| 53 |
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5j6m_ligand_11_580_dock/MCpath26.xyz
ADDED
|
@@ -0,0 +1,60 @@
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| 1 |
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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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| 40 |
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| 42 |
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| 43 |
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| 60 |
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5j6m_ligand_11_580_dock/MCpath27.xyz
ADDED
|
@@ -0,0 +1,55 @@
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| 28 |
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| 37 |
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| 55 |
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5j6m_ligand_11_580_dock/MCpath28.xyz
ADDED
|
@@ -0,0 +1,59 @@
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| 1 |
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57
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57
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 32 |
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| 33 |
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| 35 |
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| 37 |
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| 40 |
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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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S 43.2769 72.4258 49.2600
|
| 47 |
+
S 43.3451 72.4760 49.1988
|
| 48 |
+
S 43.4729 72.5602 49.1618
|
| 49 |
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S 43.3929 72.6055 49.2807
|
| 50 |
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S 43.2889 72.5361 49.3634
|
| 51 |
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S 43.3135 72.5043 49.4384
|
| 52 |
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S 43.3367 72.4843 49.3798
|
| 53 |
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S 43.3562 72.4500 49.2992
|
| 54 |
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S 43.3964 72.4698 49.2442
|
| 55 |
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S 43.4029 72.4218 49.2288
|
| 56 |
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S 43.4258 72.3887 49.3439
|
| 57 |
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S 43.4537 72.4464 49.3560
|
| 58 |
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S 43.5292 72.6784 49.3476
|
| 59 |
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S 43.4423 72.9086 49.4202
|
5j6m_ligand_11_580_dock/MCpath29.xyz
ADDED
|
@@ -0,0 +1,37 @@
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|
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|
|
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|
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|
|
| 1 |
+
35
|
| 2 |
+
35
|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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S 43.8451 71.9118 49.5726
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| 9 |
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S 43.8669 72.0621 49.5343
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| 10 |
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|
| 11 |
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| 12 |
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S 43.7387 72.1327 49.6550
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| 13 |
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S 43.7093 72.1660 49.6090
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| 14 |
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S 43.6888 72.1750 49.5668
|
| 15 |
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S 43.5976 72.1662 49.5372
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| 16 |
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S 43.5938 72.0925 49.5300
|
| 17 |
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S 43.5669 72.0538 49.6343
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| 18 |
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S 43.5239 72.1242 49.7675
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| 19 |
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S 43.4720 72.2168 49.8127
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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S 43.6753 72.3251 49.8051
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| 24 |
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S 43.7890 72.2971 49.7709
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| 25 |
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S 43.7228 72.2955 49.7359
|
| 26 |
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| 27 |
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|
| 28 |
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S 43.5426 72.3150 49.3628
|
| 29 |
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S 43.5067 72.3649 49.4262
|
| 30 |
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S 43.4476 72.4990 49.4333
|
| 31 |
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S 43.4318 72.4229 49.3629
|
| 32 |
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S 43.3563 72.3575 49.3616
|
| 33 |
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S 43.3408 72.3831 49.3293
|
| 34 |
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S 43.4220 72.4462 49.3212
|
| 35 |
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S 43.4247 72.5816 49.3825
|
| 36 |
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S 43.4292 72.6517 49.3944
|
| 37 |
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S 43.3724 72.6936 49.3682
|
5j6m_ligand_11_580_dock/MCpath3.xyz
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
| 1 |
+
37
|
| 2 |
+
37
|
| 3 |
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| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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S 43.8252 71.8394 49.6597
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| 11 |
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| 12 |
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|
| 13 |
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S 43.6449 72.1479 49.6031
|
| 14 |
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S 43.5972 72.2309 49.6295
|
| 15 |
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S 43.5842 72.3086 49.6645
|
| 16 |
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|
| 17 |
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| 18 |
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|
| 19 |
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S 43.4381 72.2660 49.4758
|
| 20 |
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S 43.3638 72.2261 49.3497
|
| 21 |
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S 43.3497 72.3127 49.3289
|
| 22 |
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S 43.4994 72.4755 49.4687
|
| 23 |
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S 43.5715 72.5578 49.6116
|
| 24 |
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S 43.5776 72.5324 49.7141
|
| 25 |
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S 43.5531 72.4979 49.7309
|
| 26 |
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S 43.5641 72.5056 49.7187
|
| 27 |
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S 43.5153 72.4963 49.7685
|
| 28 |
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S 43.5878 72.3989 49.7840
|
| 29 |
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S 43.7971 72.2262 49.6505
|
| 30 |
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S 43.8104 72.1096 49.5248
|
| 31 |
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S 43.7280 72.1472 49.4535
|
| 32 |
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S 43.6071 72.1647 49.3457
|
| 33 |
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S 43.4601 72.1834 49.3000
|
| 34 |
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S 43.4383 72.2908 49.1956
|
| 35 |
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S 43.4389 72.3518 49.0808
|
| 36 |
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S 43.4881 72.5227 49.0389
|
| 37 |
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S 43.6257 72.5474 49.0453
|
| 38 |
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S 43.6226 72.6186 49.1534
|
| 39 |
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S 43.4628 72.7387 49.2361
|
5j6m_ligand_11_580_dock/MCpath30.xyz
ADDED
|
@@ -0,0 +1,66 @@
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|
|
| 1 |
+
64
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| 2 |
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64
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| 4 |
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| 5 |
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| 6 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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S 43.7870 72.2207 49.3211
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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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S 43.5097 72.1319 49.5318
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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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S 43.4457 72.2339 49.6173
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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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S 43.3388 72.4202 49.7260
|
| 30 |
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S 43.2832 72.5051 49.6445
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| 31 |
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S 43.3975 72.5441 49.6511
|
| 32 |
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|
| 33 |
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S 43.4994 72.6672 49.7242
|
| 34 |
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S 43.5690 72.6314 49.6905
|
| 35 |
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| 36 |
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| 37 |
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|
| 38 |
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S 43.5482 72.4139 49.5055
|
| 39 |
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S 43.5450 72.4554 49.6898
|
| 40 |
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S 43.4451 72.4132 49.8645
|
| 41 |
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S 43.4517 72.4233 49.9249
|
| 42 |
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S 43.3439 72.3606 49.7788
|
| 43 |
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S 43.3089 72.3074 49.6835
|
| 44 |
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S 43.3701 72.3268 49.7127
|
| 45 |
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| 46 |
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S 43.4151 72.3339 49.8110
|
| 47 |
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S 43.3834 72.4062 49.7890
|
| 48 |
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S 43.3349 72.4572 49.6362
|
| 49 |
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S 43.2598 72.4519 49.4868
|
| 50 |
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S 43.3335 72.5000 49.3622
|
| 51 |
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S 43.3620 72.5341 49.2310
|
| 52 |
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S 43.4237 72.6337 49.2792
|
| 53 |
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S 43.4761 72.6880 49.4297
|
| 54 |
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S 43.5717 72.6111 49.4818
|
| 55 |
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S 43.5933 72.6468 49.5289
|
| 56 |
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S 43.6029 72.6412 49.5805
|
| 57 |
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S 43.6145 72.6348 49.4603
|
| 58 |
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S 43.6174 72.6646 49.3933
|
| 59 |
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S 43.5587 72.6682 49.4218
|
| 60 |
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S 43.4949 72.5677 49.4764
|
| 61 |
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S 43.4192 72.5009 49.5295
|
| 62 |
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S 43.4232 72.4182 49.5186
|
| 63 |
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S 43.4625 72.4118 49.4614
|
| 64 |
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S 43.5261 72.5029 49.3727
|
| 65 |
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|
| 66 |
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|
5j6m_ligand_11_580_dock/MCpath31.xyz
ADDED
|
@@ -0,0 +1,6 @@
|
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|
|
|
|
|
| 1 |
+
4
|
| 2 |
+
4
|
| 3 |
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| 4 |
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|
| 5 |
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S 43.9188 71.8510 49.5646
|
| 6 |
+
S 44.0100 71.8522 49.5545
|
5j6m_ligand_11_580_dock/MCpath32.xyz
ADDED
|
@@ -0,0 +1,63 @@
|
|
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|
|
|
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|
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|
| 1 |
+
61
|
| 2 |
+
61
|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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|
| 7 |
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|
| 8 |
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S 43.6254 71.9936 49.8517
|
| 9 |
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| 10 |
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S 43.6041 72.0635 49.7449
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| 11 |
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S 43.5570 72.1025 49.7265
|
| 12 |
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S 43.5214 72.2359 49.6187
|
| 13 |
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S 43.6090 72.3562 49.5900
|
| 14 |
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S 43.6156 72.3724 49.5405
|
| 15 |
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S 43.5797 72.3285 49.5264
|
| 16 |
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S 43.4513 72.3097 49.5070
|
| 17 |
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S 43.4401 72.2598 49.5019
|
| 18 |
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S 43.5273 72.2015 49.4145
|
| 19 |
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S 43.5980 72.2216 49.2893
|
| 20 |
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S 43.5550 72.2924 49.2649
|
| 21 |
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S 43.4969 72.2641 49.2610
|
| 22 |
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S 43.5238 72.2227 49.3757
|
| 23 |
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S 43.5604 72.2759 49.4902
|
| 24 |
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S 43.5135 72.4054 49.4596
|
| 25 |
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S 43.5161 72.5033 49.5002
|
| 26 |
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S 43.5187 72.5191 49.4893
|
| 27 |
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S 43.4908 72.5159 49.4022
|
| 28 |
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S 43.4030 72.5199 49.3487
|
| 29 |
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S 43.4286 72.4791 49.2450
|
| 30 |
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S 43.4047 72.4725 49.1982
|
| 31 |
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S 43.3674 72.5565 49.2579
|
| 32 |
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S 43.3686 72.5147 49.3600
|
| 33 |
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S 43.3528 72.4047 49.5290
|
| 34 |
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S 43.4074 72.3376 49.6463
|
| 35 |
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S 43.5138 72.2941 49.5575
|
| 36 |
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S 43.6255 72.2851 49.3869
|
| 37 |
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S 43.7139 72.3419 49.2971
|
| 38 |
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S 43.8001 72.4001 49.3487
|
| 39 |
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S 43.7677 72.5018 49.4489
|
| 40 |
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S 43.6278 72.4631 49.5291
|
| 41 |
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S 43.5728 72.4547 49.5831
|
| 42 |
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S 43.5796 72.4160 49.5982
|
| 43 |
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S 43.6202 72.4147 49.5265
|
| 44 |
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S 43.6095 72.4373 49.4253
|
| 45 |
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S 43.6395 72.4527 49.3748
|
| 46 |
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S 43.5750 72.5008 49.3739
|
| 47 |
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S 43.5006 72.5295 49.3887
|
| 48 |
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S 43.4423 72.5521 49.3960
|
| 49 |
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S 43.3531 72.5379 49.4935
|
| 50 |
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S 43.3499 72.5715 49.5461
|
| 51 |
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S 43.4364 72.5997 49.6231
|
| 52 |
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S 43.4653 72.4570 49.6286
|
| 53 |
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S 43.5561 72.3463 49.6191
|
| 54 |
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S 43.5892 72.2440 49.6333
|
| 55 |
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S 43.5875 72.2471 49.6771
|
| 56 |
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S 43.5481 72.2406 49.7154
|
| 57 |
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S 43.5130 72.1882 49.6849
|
| 58 |
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S 43.5917 72.0465 49.6711
|
| 59 |
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S 43.6391 72.0962 49.7274
|
| 60 |
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S 43.5908 72.2405 49.6510
|
| 61 |
+
S 43.5611 72.4255 49.5117
|
| 62 |
+
S 43.4741 72.5796 49.4172
|
| 63 |
+
S 43.3799 72.7280 49.4037
|
5j6m_ligand_11_580_dock/MCpath33.xyz
ADDED
|
@@ -0,0 +1,6 @@
|
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|
| 1 |
+
4
|
| 2 |
+
4
|
| 3 |
+
S 43.7844 71.6696 49.5292
|
| 4 |
+
S 43.8219 71.7892 49.4923
|
| 5 |
+
S 43.9460 71.8168 49.4318
|
| 6 |
+
S 44.0441 71.7506 49.3898
|
5j6m_ligand_11_580_dock/MCpath34.xyz
ADDED
|
@@ -0,0 +1,23 @@
|
|
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|
|
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|
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|
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|
| 1 |
+
21
|
| 2 |
+
21
|
| 3 |
+
S 43.8343 71.9437 49.6232
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| 4 |
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S 43.7156 71.9898 49.6199
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| 5 |
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S 43.6207 72.0297 49.6095
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| 6 |
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S 43.5051 72.1124 49.6056
|
| 7 |
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S 43.5239 72.1261 49.6312
|
| 8 |
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S 43.6082 72.0799 49.6114
|
| 9 |
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S 43.7457 72.1203 49.5368
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| 10 |
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S 43.8471 72.2558 49.5185
|
| 11 |
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S 43.8294 72.2383 49.5309
|
| 12 |
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S 43.8803 72.2868 49.5309
|
| 13 |
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S 43.8158 72.2497 49.5467
|
| 14 |
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S 43.7110 72.1532 49.5646
|
| 15 |
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S 43.5685 72.1904 49.5836
|
| 16 |
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S 43.4553 72.2445 49.5351
|
| 17 |
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S 43.4023 72.3088 49.4746
|
| 18 |
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S 43.4566 72.2994 49.3103
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| 19 |
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S 43.5484 72.3060 49.2442
|
| 20 |
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S 43.6740 72.2836 49.3676
|
| 21 |
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S 43.8328 72.2739 49.5563
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| 22 |
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S 43.9420 72.3204 49.6910
|
| 23 |
+
S 44.0546 72.3198 49.7143
|
5j6m_ligand_11_580_dock/MCpath35.xyz
ADDED
|
@@ -0,0 +1,71 @@
|
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|
| 1 |
+
69
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| 2 |
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69
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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S 43.6985 72.3123 49.7951
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| 11 |
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S 43.7410 72.2766 49.7876
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| 12 |
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S 43.8339 72.2526 49.7324
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| 13 |
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S 43.9130 72.1323 49.6617
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| 14 |
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S 43.8249 72.0588 49.5948
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| 15 |
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S 43.6772 72.0217 49.4986
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| 16 |
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S 43.5078 72.1080 49.4516
|
| 17 |
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S 43.5735 72.1139 49.4522
|
| 18 |
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S 43.5900 72.0420 49.4794
|
| 19 |
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S 43.5323 71.9480 49.4626
|
| 20 |
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S 43.5491 71.8771 49.3513
|
| 21 |
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S 43.6279 71.9978 49.2319
|
| 22 |
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S 43.6597 72.1730 49.1830
|
| 23 |
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S 43.6200 72.2230 49.1979
|
| 24 |
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S 43.6299 72.2692 49.2355
|
| 25 |
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S 43.6073 72.2839 49.3743
|
| 26 |
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S 43.5598 72.3624 49.5706
|
| 27 |
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S 43.5353 72.4830 49.6445
|
| 28 |
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S 43.5120 72.6380 49.6648
|
| 29 |
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S 43.4868 72.6651 49.6499
|
| 30 |
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S 43.4567 72.5958 49.5794
|
| 31 |
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S 43.4613 72.5370 49.4679
|
| 32 |
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S 43.4435 72.5592 49.4254
|
| 33 |
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S 43.4209 72.5393 49.4361
|
| 34 |
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S 43.4183 72.4809 49.5059
|
| 35 |
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S 43.3230 72.4359 49.4759
|
| 36 |
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S 43.2526 72.4430 49.4650
|
| 37 |
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S 43.3085 72.4884 49.5001
|
| 38 |
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S 43.4598 72.4378 49.5398
|
| 39 |
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S 43.5486 72.3910 49.6608
|
| 40 |
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S 43.5847 72.3762 49.6983
|
| 41 |
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S 43.5556 72.3220 49.6458
|
| 42 |
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S 43.4400 72.3626 49.6222
|
| 43 |
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S 43.3091 72.4103 49.6646
|
| 44 |
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S 43.3015 72.4676 49.6500
|
| 45 |
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S 43.3899 72.4352 49.5304
|
| 46 |
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S 43.5153 72.4905 49.4881
|
| 47 |
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S 43.5405 72.4694 49.4585
|
| 48 |
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S 43.5283 72.5414 49.3603
|
| 49 |
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S 43.5061 72.4872 49.4462
|
| 50 |
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S 43.5723 72.4828 49.5747
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| 51 |
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S 43.7159 72.3694 49.6516
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| 52 |
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S 43.7214 72.2416 49.6074
|
| 53 |
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S 43.6479 72.1838 49.4920
|
| 54 |
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S 43.6678 72.1977 49.4233
|
| 55 |
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S 43.6526 72.2101 49.4011
|
| 56 |
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S 43.6796 72.3362 49.4074
|
| 57 |
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S 43.6618 72.4856 49.4437
|
| 58 |
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S 43.5279 72.5375 49.4529
|
| 59 |
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S 43.4289 72.5231 49.4320
|
| 60 |
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S 43.3437 72.5406 49.3791
|
| 61 |
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|
| 62 |
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S 43.2586 72.5666 49.5601
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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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S 43.4513 72.6540 49.5638
|
| 71 |
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S 43.3957 72.8868 49.6423
|
5j6m_ligand_11_580_dock/MCpath36.xyz
ADDED
|
@@ -0,0 +1,82 @@
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|
| 1 |
+
80
|
| 2 |
+
80
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| 3 |
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S 43.6385 72.0154 49.4424
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| 4 |
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| 5 |
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| 6 |
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|
| 7 |
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|
| 8 |
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S 43.7680 72.0038 49.5793
|
| 9 |
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S 43.7706 72.0163 49.4795
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| 10 |
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S 43.7315 72.1172 49.4449
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| 11 |
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| 12 |
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| 13 |
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| 15 |
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| 17 |
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| 18 |
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S 43.4538 72.3016 49.6091
|
| 19 |
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S 43.5264 72.2244 49.5854
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| 20 |
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S 43.5612 72.1756 49.5596
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| 21 |
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| 22 |
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| 23 |
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S 43.5832 72.2327 49.4052
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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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S 43.4828 72.5604 49.5438
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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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S 43.3235 72.3495 49.6916
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| 39 |
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| 40 |
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S 43.3906 72.4195 49.5133
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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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S 43.6428 72.3730 49.7308
|
| 48 |
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S 43.5258 72.4178 49.7456
|
| 49 |
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S 43.3963 72.4785 49.7001
|
| 50 |
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S 43.2944 72.5191 49.7504
|
| 51 |
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S 43.1584 72.5639 49.7316
|
| 52 |
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S 43.0383 72.5675 49.5441
|
| 53 |
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S 43.0715 72.5944 49.4455
|
| 54 |
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S 43.1545 72.6484 49.3692
|
| 55 |
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S 43.3456 72.6414 49.3705
|
| 56 |
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S 43.4916 72.6386 49.3946
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| 57 |
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S 43.5462 72.5944 49.3424
|
| 58 |
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S 43.5177 72.5647 49.4446
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| 59 |
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|
| 60 |
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| 61 |
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S 43.3661 72.4022 49.4653
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| 62 |
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S 43.3714 72.4592 49.5406
|
| 63 |
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S 43.4138 72.4594 49.5019
|
| 64 |
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S 43.3586 72.5346 49.4658
|
| 65 |
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S 43.2948 72.6633 49.4759
|
| 66 |
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S 43.3072 72.6456 49.4181
|
| 67 |
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S 43.3290 72.6182 49.3788
|
| 68 |
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S 43.3639 72.6010 49.4131
|
| 69 |
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S 43.4401 72.5706 49.4430
|
| 70 |
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S 43.5151 72.5401 49.4835
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| 71 |
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S 43.5961 72.5693 49.5117
|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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S 43.4525 72.7104 49.7978
|
5j6m_ligand_11_580_dock/MCpath37.xyz
ADDED
|
@@ -0,0 +1,48 @@
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|
| 1 |
+
46
|
| 2 |
+
46
|
| 3 |
+
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|
| 4 |
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S 43.6332 71.9071 49.3991
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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S 43.4887 72.1351 49.4638
|
| 11 |
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S 43.5583 72.0452 49.4340
|
| 12 |
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S 43.6680 72.0782 49.4098
|
| 13 |
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S 43.6795 72.2177 49.4913
|
| 14 |
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S 43.7300 72.2021 49.4839
|
| 15 |
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S 43.6712 72.1355 49.4602
|
| 16 |
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S 43.6670 72.2845 49.5629
|
| 17 |
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S 43.6092 72.3564 49.5845
|
| 18 |
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S 43.4763 72.3356 49.5818
|
| 19 |
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S 43.4397 72.2827 49.5790
|
| 20 |
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S 43.4733 72.2373 49.6350
|
| 21 |
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S 43.4426 72.2674 49.6978
|
| 22 |
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S 43.4018 72.3258 49.7137
|
| 23 |
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S 43.3994 72.2768 49.7523
|
| 24 |
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S 43.4592 72.1366 49.6758
|
| 25 |
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S 43.5339 72.0986 49.6112
|
| 26 |
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S 43.5575 72.1345 49.5479
|
| 27 |
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S 43.5053 72.0935 49.5027
|
| 28 |
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S 43.4365 72.1069 49.5091
|
| 29 |
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S 43.3201 72.2687 49.4346
|
| 30 |
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S 43.3376 72.5283 49.4276
|
| 31 |
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S 43.4067 72.5974 49.4158
|
| 32 |
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S 43.5329 72.6191 49.3785
|
| 33 |
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S 43.6204 72.6064 49.4045
|
| 34 |
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S 43.6231 72.6001 49.4331
|
| 35 |
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S 43.5112 72.5123 49.5222
|
| 36 |
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S 43.4995 72.3525 49.6182
|
| 37 |
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S 43.5441 72.3855 49.6364
|
| 38 |
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S 43.5540 72.4604 49.6141
|
| 39 |
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S 43.5017 72.4870 49.6018
|
| 40 |
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S 43.5152 72.4647 49.5450
|
| 41 |
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S 43.5070 72.4372 49.4847
|
| 42 |
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S 43.5056 72.4234 49.4993
|
| 43 |
+
S 43.4488 72.4932 49.4619
|
| 44 |
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S 43.4137 72.5814 49.4726
|
| 45 |
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S 43.4308 72.6400 49.4304
|
| 46 |
+
S 43.4795 72.6469 49.4314
|
| 47 |
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S 43.5237 72.6553 49.4394
|
| 48 |
+
S 43.4483 72.7047 49.4434
|
5j6m_ligand_11_580_dock/MCpath38.xyz
ADDED
|
@@ -0,0 +1,63 @@
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|
| 1 |
+
61
|
| 2 |
+
61
|
| 3 |
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S 43.5207 71.8649 49.7262
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| 4 |
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S 43.6210 71.8640 49.6252
|
| 5 |
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S 43.6716 71.9061 49.5887
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| 6 |
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S 43.7280 71.9447 49.5721
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| 7 |
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S 43.7421 71.9819 49.5667
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| 8 |
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S 43.7419 71.9985 49.6593
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| 9 |
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S 43.7026 71.9575 49.6981
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| 10 |
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S 43.5553 71.9664 49.7301
|
| 11 |
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S 43.4302 71.9995 49.6957
|
| 12 |
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S 43.2968 72.1083 49.7166
|
| 13 |
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S 43.2524 72.1972 49.7613
|
| 14 |
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S 43.2984 72.2229 49.7040
|
| 15 |
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S 43.3969 72.2390 49.6796
|
| 16 |
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S 43.5761 72.2663 49.6311
|
| 17 |
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S 43.6777 72.3255 49.6803
|
| 18 |
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S 43.7446 72.4035 49.7421
|
| 19 |
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S 43.8323 72.4197 49.7294
|
| 20 |
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S 43.7187 72.3693 49.6726
|
| 21 |
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S 43.6545 72.3306 49.5834
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| 22 |
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S 43.5469 72.2798 49.4884
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| 23 |
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| 24 |
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S 43.5223 72.2852 49.5409
|
| 25 |
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S 43.6345 72.2990 49.4207
|
| 26 |
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S 43.7558 72.3516 49.3222
|
| 27 |
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S 43.7363 72.3773 49.3121
|
| 28 |
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S 43.6751 72.3998 49.2902
|
| 29 |
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S 43.7918 72.3835 49.2572
|
| 30 |
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S 43.7897 72.3149 49.3621
|
| 31 |
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S 43.6991 72.3757 49.4746
|
| 32 |
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S 43.4763 72.4103 49.5180
|
| 33 |
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S 43.3501 72.3649 49.6385
|
| 34 |
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S 43.3913 72.2983 49.6975
|
| 35 |
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S 43.3739 72.2271 49.6806
|
| 36 |
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S 43.2804 72.3335 49.6482
|
| 37 |
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S 43.2556 72.4509 49.6047
|
| 38 |
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S 43.2976 72.5152 49.5924
|
| 39 |
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S 43.3428 72.4760 49.6073
|
| 40 |
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S 43.3926 72.4202 49.6116
|
| 41 |
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S 43.4462 72.4075 49.5824
|
| 42 |
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S 43.5899 72.4765 49.6018
|
| 43 |
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S 43.6748 72.4939 49.6578
|
| 44 |
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S 43.7412 72.4400 49.6524
|
| 45 |
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S 43.7448 72.4115 49.6059
|
| 46 |
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S 43.6521 72.3390 49.4881
|
| 47 |
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S 43.4867 72.3745 49.3781
|
| 48 |
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S 43.3953 72.3537 49.2884
|
| 49 |
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S 43.3537 72.2705 49.3038
|
| 50 |
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S 43.3169 72.2045 49.3384
|
| 51 |
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S 43.2464 72.1963 49.3527
|
| 52 |
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S 43.2828 72.3859 49.3410
|
| 53 |
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S 43.3832 72.5544 49.3676
|
| 54 |
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S 43.4847 72.5483 49.3220
|
| 55 |
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S 43.5260 72.4469 49.2471
|
| 56 |
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S 43.5069 72.4476 49.2280
|
| 57 |
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S 43.3988 72.4718 49.2264
|
| 58 |
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S 43.3936 72.5301 49.2347
|
| 59 |
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S 43.4959 72.6292 49.1664
|
| 60 |
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S 43.4923 72.6144 49.1579
|
| 61 |
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S 43.4757 72.6340 49.1646
|
| 62 |
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S 43.4223 72.6660 49.2245
|
| 63 |
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S 43.3017 72.8543 49.3463
|
5j6m_ligand_11_580_dock/MCpath39.xyz
ADDED
|
@@ -0,0 +1,30 @@
|
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|
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|
|
|
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|
|
| 1 |
+
28
|
| 2 |
+
28
|
| 3 |
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S 43.6449 72.0568 49.5755
|
| 4 |
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S 43.6324 72.0659 49.5545
|
| 5 |
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|
| 6 |
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S 43.5900 71.9845 49.6540
|
| 7 |
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S 43.5330 71.9167 49.6838
|
| 8 |
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S 43.5943 71.9708 49.6632
|
| 9 |
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S 43.6223 72.0448 49.5941
|
| 10 |
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S 43.6412 72.2043 49.6372
|
| 11 |
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S 43.6549 72.2832 49.5969
|
| 12 |
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S 43.6637 72.2776 49.5999
|
| 13 |
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S 43.6818 72.2587 49.6909
|
| 14 |
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S 43.6327 72.0942 49.7481
|
| 15 |
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S 43.6039 72.0784 49.7581
|
| 16 |
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S 43.6125 72.0821 49.7872
|
| 17 |
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S 43.6595 72.0852 49.6998
|
| 18 |
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S 43.6474 72.1110 49.5198
|
| 19 |
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S 43.6145 72.1737 49.4183
|
| 20 |
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S 43.5196 72.1979 49.3778
|
| 21 |
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S 43.4711 72.1245 49.2954
|
| 22 |
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S 43.5469 72.1961 49.2859
|
| 23 |
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S 43.5375 72.2724 49.3402
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| 24 |
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S 43.5148 72.2671 49.3850
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| 25 |
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S 43.4156 72.2668 49.4526
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| 26 |
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|
| 27 |
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S 43.4434 72.2453 49.4159
|
| 28 |
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S 43.3558 72.3809 49.5049
|
| 29 |
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S 43.3780 72.5432 49.5577
|
| 30 |
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S 43.4493 72.7175 49.4997
|
5j6m_ligand_11_580_dock/MCpath4.xyz
ADDED
|
@@ -0,0 +1,66 @@
|
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|
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|
|
| 1 |
+
64
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| 2 |
+
64
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| 3 |
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| 4 |
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| 5 |
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| 7 |
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| 8 |
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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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S 43.5061 71.8503 49.5829
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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S 43.5836 72.3259 49.7659
|
| 25 |
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| 26 |
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S 43.7669 72.5201 49.5542
|
| 27 |
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S 43.7689 72.5200 49.5439
|
| 28 |
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S 43.6730 72.5091 49.5737
|
| 29 |
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S 43.5995 72.4922 49.5473
|
| 30 |
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S 43.5284 72.5079 49.4963
|
| 31 |
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S 43.3714 72.4358 49.5088
|
| 32 |
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S 43.3527 72.3035 49.5259
|
| 33 |
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S 43.4622 72.1370 49.5061
|
| 34 |
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S 43.4757 72.1527 49.4757
|
| 35 |
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S 43.4132 72.2307 49.4457
|
| 36 |
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S 43.3717 72.2466 49.4602
|
| 37 |
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S 43.3426 72.2660 49.4398
|
| 38 |
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S 43.3705 72.2553 49.4766
|
| 39 |
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S 43.4084 72.3582 49.5201
|
| 40 |
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S 43.4078 72.4344 49.4976
|
| 41 |
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S 43.3949 72.4710 49.4034
|
| 42 |
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S 43.3969 72.4360 49.4177
|
| 43 |
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S 43.4791 72.3734 49.3496
|
| 44 |
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S 43.4389 72.3961 49.2591
|
| 45 |
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S 43.4185 72.4552 49.2729
|
| 46 |
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S 43.3778 72.4633 49.3772
|
| 47 |
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S 43.4780 72.4409 49.4708
|
| 48 |
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S 43.6630 72.4206 49.6153
|
| 49 |
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S 43.7437 72.3424 49.6359
|
| 50 |
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S 43.7751 72.4007 49.6567
|
| 51 |
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S 43.7417 72.5229 49.6781
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| 52 |
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S 43.6903 72.5592 49.6577
|
| 53 |
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S 43.7402 72.4131 49.5580
|
| 54 |
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S 43.7276 72.3250 49.4738
|
| 55 |
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S 43.6427 72.3515 49.3940
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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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S 43.2965 72.5415 49.2902
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| 62 |
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S 43.2570 72.3874 49.1573
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| 63 |
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| 64 |
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| 65 |
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|
| 66 |
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5j6m_ligand_11_580_dock/MCpath40.xyz
ADDED
|
@@ -0,0 +1,51 @@
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|
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|
| 1 |
+
49
|
| 2 |
+
49
|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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|
| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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|
| 16 |
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S 43.5370 72.1299 49.8310
|
| 17 |
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|
| 18 |
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S 43.3715 72.1320 49.6938
|
| 19 |
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S 43.3424 72.1872 49.5746
|
| 20 |
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S 43.4081 72.2436 49.6115
|
| 21 |
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S 43.3945 72.2543 49.6176
|
| 22 |
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S 43.3450 72.2658 49.5422
|
| 23 |
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S 43.3538 72.2815 49.4153
|
| 24 |
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S 43.4681 72.2749 49.3637
|
| 25 |
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S 43.5275 72.1797 49.3794
|
| 26 |
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S 43.6038 72.2318 49.4889
|
| 27 |
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S 43.5810 72.3775 49.5363
|
| 28 |
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S 43.5165 72.3852 49.5389
|
| 29 |
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S 43.3489 72.3680 49.4481
|
| 30 |
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S 43.2933 72.4262 49.5137
|
| 31 |
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S 43.2631 72.3511 49.6089
|
| 32 |
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S 43.2966 72.3671 49.6737
|
| 33 |
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S 43.2601 72.4640 49.6373
|
| 34 |
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S 43.3215 72.5695 49.5248
|
| 35 |
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S 43.3961 72.5585 49.4760
|
| 36 |
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S 43.4269 72.5723 49.4302
|
| 37 |
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S 43.4616 72.6223 49.3750
|
| 38 |
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S 43.4664 72.5436 49.2891
|
| 39 |
+
S 43.5048 72.4547 49.2805
|
| 40 |
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S 43.5362 72.4295 49.2070
|
| 41 |
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S 43.5631 72.4476 49.1540
|
| 42 |
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S 43.6245 72.4358 49.1986
|
| 43 |
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S 43.6734 72.4339 49.2819
|
| 44 |
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S 43.7272 72.4301 49.3726
|
| 45 |
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S 43.7076 72.4949 49.4255
|
| 46 |
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S 43.6855 72.5368 49.4469
|
| 47 |
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S 43.5879 72.6036 49.4704
|
| 48 |
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S 43.4433 72.6919 49.4141
|
| 49 |
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S 43.3743 72.6696 49.2766
|
| 50 |
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S 43.3673 72.6825 49.2683
|
| 51 |
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S 43.2997 72.7936 49.3844
|
5j6m_ligand_11_580_dock/MCpath41.xyz
ADDED
|
@@ -0,0 +1,69 @@
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|
| 1 |
+
67
|
| 2 |
+
67
|
| 3 |
+
S 43.8039 71.9251 49.4857
|
| 4 |
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S 43.7056 71.9595 49.4800
|
| 5 |
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S 43.6723 71.9537 49.4564
|
| 6 |
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S 43.6715 71.8771 49.3527
|
| 7 |
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S 43.7779 71.9157 49.2996
|
| 8 |
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S 43.7852 72.0060 49.2915
|
| 9 |
+
S 43.7889 72.0831 49.3151
|
| 10 |
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S 43.8415 72.0853 49.3732
|
| 11 |
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S 43.8742 72.0600 49.4898
|
| 12 |
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S 43.7989 72.1020 49.6209
|
| 13 |
+
S 43.7013 72.2035 49.7645
|
| 14 |
+
S 43.6187 72.1905 49.8125
|
| 15 |
+
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|
| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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| 35 |
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| 36 |
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|
| 37 |
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|
| 38 |
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S 43.6418 72.3736 49.3120
|
| 39 |
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S 43.5221 72.2470 49.4002
|
| 40 |
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S 43.5044 72.2775 49.5404
|
| 41 |
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S 43.4791 72.2209 49.5397
|
| 42 |
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S 43.5329 72.1959 49.4687
|
| 43 |
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S 43.5938 72.3249 49.4148
|
| 44 |
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S 43.6326 72.4869 49.4576
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| 45 |
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|
| 46 |
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S 43.6395 72.6521 49.5748
|
| 47 |
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S 43.4999 72.6022 49.4876
|
| 48 |
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S 43.3482 72.5222 49.3844
|
| 49 |
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S 43.2036 72.4830 49.4232
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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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| 68 |
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| 69 |
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5j6m_ligand_11_580_dock/MCpath42.xyz
ADDED
|
@@ -0,0 +1,40 @@
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|
| 1 |
+
38
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| 2 |
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| 8 |
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| 11 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 32 |
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| 33 |
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| 35 |
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| 40 |
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5j6m_ligand_11_580_dock/MCpath43.xyz
ADDED
|
@@ -0,0 +1,47 @@
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| 1 |
+
45
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| 2 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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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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5j6m_ligand_11_580_dock/MCpath44.xyz
ADDED
|
@@ -0,0 +1,34 @@
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|
| 1 |
+
32
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| 2 |
+
32
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| 34 |
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5j6m_ligand_11_580_dock/MCpath45.xyz
ADDED
|
@@ -0,0 +1,44 @@
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| 1 |
+
42
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| 2 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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|
| 44 |
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|
5j6m_ligand_11_580_dock/MCpath46.xyz
ADDED
|
@@ -0,0 +1,37 @@
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|
| 1 |
+
35
|
| 2 |
+
35
|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 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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S 43.8352 72.2498 49.5833
|
| 19 |
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S 43.7727 72.1954 49.6169
|
| 20 |
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S 43.6710 72.1973 49.6972
|
| 21 |
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|
| 22 |
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S 43.5186 72.3696 49.8169
|
| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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S 43.4672 72.2129 49.5500
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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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S 43.5668 72.7867 49.5211
|
5j6m_ligand_11_580_dock/MCpath47.xyz
ADDED
|
@@ -0,0 +1,43 @@
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| 1 |
+
41
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| 2 |
+
41
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| 8 |
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| 9 |
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| 11 |
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| 13 |
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| 14 |
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| 20 |
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| 23 |
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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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S 43.6333 72.3559 49.5927
|
| 33 |
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|
| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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S 43.5504 72.7913 49.5460
|
5j6m_ligand_11_580_dock/MCpath48.xyz
ADDED
|
@@ -0,0 +1,78 @@
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|
| 1 |
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76
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 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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S 43.5189 72.2577 49.6463
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| 50 |
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| 51 |
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| 53 |
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| 54 |
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| 55 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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| 77 |
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| 78 |
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5j6m_ligand_11_580_dock/MCpath49.xyz
ADDED
|
@@ -0,0 +1,32 @@
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| 1 |
+
30
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| 2 |
+
30
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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|
| 7 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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|
| 16 |
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|
| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 30 |
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|
| 32 |
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|
5j6m_ligand_11_580_dock/MCpath5.xyz
ADDED
|
@@ -0,0 +1,58 @@
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| 1 |
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56
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| 2 |
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56
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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|
| 24 |
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|
| 25 |
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S 43.5942 72.2214 49.6930
|
| 26 |
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S 43.5602 72.2456 49.6083
|
| 27 |
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S 43.5176 72.3353 49.6003
|
| 28 |
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S 43.4984 72.4201 49.6100
|
| 29 |
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S 43.5393 72.4936 49.5546
|
| 30 |
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S 43.6303 72.5667 49.4693
|
| 31 |
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|
| 32 |
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S 43.5796 72.6395 49.3810
|
| 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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S 43.4865 72.1074 49.7116
|
| 39 |
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|
| 40 |
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S 43.4440 72.2964 49.7283
|
| 41 |
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S 43.4978 72.3446 49.7622
|
| 42 |
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S 43.5959 72.3653 49.7137
|
| 43 |
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S 43.5821 72.3177 49.6824
|
| 44 |
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S 43.4834 72.2789 49.7234
|
| 45 |
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S 43.4494 72.3220 49.7074
|
| 46 |
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S 43.5333 72.2520 49.6516
|
| 47 |
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S 43.6207 72.3102 49.6104
|
| 48 |
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S 43.5354 72.2675 49.4884
|
| 49 |
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S 43.5000 72.3229 49.3838
|
| 50 |
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S 43.4995 72.4254 49.3104
|
| 51 |
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|
| 52 |
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|
| 53 |
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S 43.4185 72.5620 49.4685
|
| 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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|
5j6m_ligand_11_580_dock/MCpath50.xyz
ADDED
|
@@ -0,0 +1,40 @@
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| 1 |
+
38
|
| 2 |
+
38
|
| 3 |
+
S 43.5027 71.9023 49.6905
|
| 4 |
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S 43.5582 71.9469 49.6660
|
| 5 |
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S 43.6059 71.9179 49.7007
|
| 6 |
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S 43.6484 71.9094 49.6380
|
| 7 |
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S 43.6131 71.9314 49.5758
|
| 8 |
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S 43.5524 71.8402 49.5641
|
| 9 |
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S 43.4936 71.8537 49.5877
|
| 10 |
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S 43.5168 71.9845 49.6009
|
| 11 |
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S 43.4604 72.0478 49.6561
|
| 12 |
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S 43.3888 72.0456 49.6442
|
| 13 |
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S 43.4508 72.0714 49.5767
|
| 14 |
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S 43.5521 72.1282 49.5248
|
| 15 |
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S 43.6190 72.0996 49.5054
|
| 16 |
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S 43.5377 72.1124 49.5780
|
| 17 |
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S 43.4128 72.1727 49.5828
|
| 18 |
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S 43.2977 72.2542 49.4548
|
| 19 |
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S 43.2778 72.2769 49.2822
|
| 20 |
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S 43.3364 72.3112 49.1670
|
| 21 |
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S 43.4033 72.3652 49.2019
|
| 22 |
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S 43.4745 72.3623 49.2647
|
| 23 |
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S 43.5703 72.1649 49.3427
|
| 24 |
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S 43.5948 72.0891 49.4559
|
| 25 |
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S 43.5750 72.1299 49.5728
|
| 26 |
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S 43.5650 72.1437 49.7404
|
| 27 |
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S 43.5596 72.1963 49.8563
|
| 28 |
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S 43.5287 72.3347 49.7963
|
| 29 |
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S 43.5640 72.4921 49.7504
|
| 30 |
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S 43.5290 72.6473 49.7080
|
| 31 |
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S 43.5312 72.6888 49.6768
|
| 32 |
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S 43.4459 72.5692 49.6859
|
| 33 |
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S 43.4071 72.4756 49.6928
|
| 34 |
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S 43.2983 72.5602 49.7227
|
| 35 |
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S 43.2930 72.5761 49.7541
|
| 36 |
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S 43.3326 72.5198 49.6778
|
| 37 |
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S 43.3479 72.4833 49.6097
|
| 38 |
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S 43.3423 72.4822 49.5912
|
| 39 |
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S 43.3954 72.5491 49.6092
|
| 40 |
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S 43.4035 72.7153 49.5549
|
5j6m_ligand_11_580_dock/MCpath6.xyz
ADDED
|
@@ -0,0 +1,92 @@
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| 1 |
+
90
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| 2 |
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90
|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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S 43.4501 72.2009 49.4839
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| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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S 43.3883 72.2585 49.7430
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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|
| 37 |
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S 43.2199 72.4799 49.8811
|
| 38 |
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S 43.2436 72.4824 49.9113
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| 39 |
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S 43.2462 72.4574 49.9259
|
| 40 |
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S 43.3315 72.4324 49.9660
|
| 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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S 43.5430 72.6421 51.4147
|
| 68 |
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|
| 69 |
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|
| 70 |
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S 43.4797 72.5334 51.7538
|
| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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|
| 76 |
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|
| 77 |
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S 43.3322 72.4355 51.3522
|
| 78 |
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S 43.4286 72.3467 51.3439
|
| 79 |
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S 43.4490 72.3184 51.3395
|
| 80 |
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S 43.4405 72.3304 51.4338
|
| 81 |
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S 43.3808 72.3452 51.5539
|
| 82 |
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|
| 83 |
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|
| 84 |
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S 43.1856 72.3915 51.6195
|
| 85 |
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|
| 86 |
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S 43.3917 72.4260 51.6057
|
| 87 |
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S 43.4938 72.5038 51.5713
|
| 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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S 43.6739 73.6864 51.1186
|
5j6m_ligand_11_580_dock/MCpath7.xyz
ADDED
|
@@ -0,0 +1,36 @@
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| 1 |
+
34
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| 2 |
+
34
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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| 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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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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S 43.6057 72.4715 49.7743
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
5j6m_ligand_11_580_dock/MCpath8.xyz
ADDED
|
@@ -0,0 +1,39 @@
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| 1 |
+
37
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| 2 |
+
37
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 14 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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S 43.4881 72.4281 49.6878
|
| 35 |
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|
| 36 |
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S 43.6753 72.5944 49.5123
|
| 37 |
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S 43.6627 72.6635 49.4979
|
| 38 |
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S 43.5892 72.6767 49.5377
|
| 39 |
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S 43.6247 72.7051 49.4766
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