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- .gitattributes +49 -0
- 1uwf_ligand_7_619_dock/MCpath1.xyz +98 -0
- 1uwf_ligand_7_619_dock/MCpath10.xyz +25 -0
- 1uwf_ligand_7_619_dock/MCpath11.xyz +54 -0
- 1uwf_ligand_7_619_dock/MCpath12.xyz +67 -0
- 1uwf_ligand_7_619_dock/MCpath13.xyz +36 -0
- 1uwf_ligand_7_619_dock/MCpath14.xyz +36 -0
- 1uwf_ligand_7_619_dock/MCpath15.xyz +31 -0
- 1uwf_ligand_7_619_dock/MCpath16.xyz +93 -0
- 1uwf_ligand_7_619_dock/MCpath17.xyz +28 -0
- 1uwf_ligand_7_619_dock/MCpath18.xyz +40 -0
- 1uwf_ligand_7_619_dock/MCpath19.xyz +56 -0
- 1uwf_ligand_7_619_dock/MCpath2.xyz +18 -0
- 1uwf_ligand_7_619_dock/MCpath20.xyz +24 -0
- 1uwf_ligand_7_619_dock/MCpath21.xyz +74 -0
- 1uwf_ligand_7_619_dock/MCpath22.xyz +69 -0
- 1uwf_ligand_7_619_dock/MCpath23.xyz +43 -0
- 1uwf_ligand_7_619_dock/MCpath24.xyz +32 -0
- 1uwf_ligand_7_619_dock/MCpath25.xyz +27 -0
- 1uwf_ligand_7_619_dock/MCpath26.xyz +55 -0
- 1uwf_ligand_7_619_dock/MCpath27.xyz +81 -0
- 1uwf_ligand_7_619_dock/MCpath28.xyz +51 -0
- 1uwf_ligand_7_619_dock/MCpath29.xyz +19 -0
- 1uwf_ligand_7_619_dock/MCpath3.xyz +49 -0
- 1uwf_ligand_7_619_dock/MCpath30.xyz +47 -0
- 1uwf_ligand_7_619_dock/MCpath31.xyz +38 -0
- 1uwf_ligand_7_619_dock/MCpath32.xyz +64 -0
- 1uwf_ligand_7_619_dock/MCpath33.xyz +31 -0
- 1uwf_ligand_7_619_dock/MCpath34.xyz +31 -0
- 1uwf_ligand_7_619_dock/MCpath35.xyz +34 -0
- 1uwf_ligand_7_619_dock/MCpath36.xyz +7 -0
- 1uwf_ligand_7_619_dock/MCpath37.xyz +81 -0
- 1uwf_ligand_7_619_dock/MCpath38.xyz +52 -0
- 1uwf_ligand_7_619_dock/MCpath39.xyz +27 -0
- 1uwf_ligand_7_619_dock/MCpath4.xyz +46 -0
- 1uwf_ligand_7_619_dock/MCpath40.xyz +26 -0
- 1uwf_ligand_7_619_dock/MCpath41.xyz +78 -0
- 1uwf_ligand_7_619_dock/MCpath43.xyz +91 -0
- 1uwf_ligand_7_619_dock/MCpath44.xyz +32 -0
- 1uwf_ligand_7_619_dock/MCpath45.xyz +35 -0
- 1uwf_ligand_7_619_dock/MCpath46.xyz +20 -0
- 1uwf_ligand_7_619_dock/MCpath47.xyz +31 -0
- 1uwf_ligand_7_619_dock/MCpath48.xyz +20 -0
- 1uwf_ligand_7_619_dock/MCpath49.xyz +69 -0
- 1uwf_ligand_7_619_dock/MCpath5.xyz +70 -0
- 1uwf_ligand_7_619_dock/MCpath50.xyz +13 -0
- 1uwf_ligand_7_619_dock/MCpath6.xyz +25 -0
- 1uwf_ligand_7_619_dock/MCpath7.xyz +26 -0
- 1uwf_ligand_7_619_dock/MCpath8.xyz +61 -0
- 1uwf_ligand_7_619_dock/MCpath9.xyz +26 -0
.gitattributes
CHANGED
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| 4620 |
1uwf_ligand_5_617_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_5_617_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_5_617_dock/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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| 4620 |
1uwf_ligand_5_617_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_5_617_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_5_617_dock/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig1.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig10.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig11.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig12.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig13.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig14.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig15.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig16.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig17.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig18.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig19.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig2.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig20.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig21.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig22.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig23.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig24.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig25.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig26.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig27.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig28.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig29.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig3.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig30.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig31.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig32.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig33.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig34.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig35.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig36.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig37.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig38.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig39.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig4.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig40.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig41.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig43.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig44.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig45.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig47.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
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| 4666 |
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1uwf_ligand_7_619_dock/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
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| 4667 |
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1uwf_ligand_7_619_dock/Pro_lig50.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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1uwf_ligand_7_619_dock/MCpath1.xyz
ADDED
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1uwf_ligand_7_619_dock/MCpath10.xyz
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|
|
|
|
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|
| 1 |
+
23
|
| 2 |
+
23
|
| 3 |
+
S 36.5136 47.9340 72.0064
|
| 4 |
+
S 36.4421 47.8883 72.0586
|
| 5 |
+
S 36.3625 47.8635 72.0893
|
| 6 |
+
S 36.3593 47.7801 72.1391
|
| 7 |
+
S 36.3602 47.7896 72.1630
|
| 8 |
+
S 36.4023 47.7994 72.1962
|
| 9 |
+
S 36.4216 47.8438 72.1852
|
| 10 |
+
S 36.4432 47.9063 72.1991
|
| 11 |
+
S 36.4921 47.9972 72.1538
|
| 12 |
+
S 36.5337 48.0659 72.1300
|
| 13 |
+
S 36.5746 48.1544 72.0757
|
| 14 |
+
S 36.5873 48.2003 72.0857
|
| 15 |
+
S 36.5159 48.1998 72.1983
|
| 16 |
+
S 36.5070 48.1671 72.3635
|
| 17 |
+
S 36.3988 48.2398 72.5322
|
| 18 |
+
S 36.3571 48.2724 72.6125
|
| 19 |
+
S 36.4713 48.3380 72.6353
|
| 20 |
+
S 36.6452 48.4177 72.6528
|
| 21 |
+
S 36.7140 48.4814 72.5806
|
| 22 |
+
S 36.6842 48.5520 72.5511
|
| 23 |
+
S 36.5540 48.6385 72.5221
|
| 24 |
+
S 36.3599 48.6782 72.3964
|
| 25 |
+
S 36.2433 48.7009 72.2545
|
1uwf_ligand_7_619_dock/MCpath11.xyz
ADDED
|
@@ -0,0 +1,54 @@
|
|
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|
| 1 |
+
52
|
| 2 |
+
52
|
| 3 |
+
S 36.3045 47.9671 72.1743
|
| 4 |
+
S 36.2572 48.0987 72.1758
|
| 5 |
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S 36.2313 48.1674 72.2069
|
| 6 |
+
S 36.2793 48.2591 72.2365
|
| 7 |
+
S 36.2973 48.3212 72.2082
|
| 8 |
+
S 36.3191 48.3343 72.1824
|
| 9 |
+
S 36.4069 48.3662 72.0973
|
| 10 |
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S 36.4557 48.3526 72.0456
|
| 11 |
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S 36.5806 48.3171 72.0079
|
| 12 |
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S 36.6947 48.3006 72.0098
|
| 13 |
+
S 36.6115 48.4005 72.0738
|
| 14 |
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S 36.4810 48.3746 72.1581
|
| 15 |
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S 36.3713 48.2769 72.2555
|
| 16 |
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S 36.3190 48.2191 72.3314
|
| 17 |
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S 36.2997 48.2760 72.3601
|
| 18 |
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S 36.4408 48.2413 72.3319
|
| 19 |
+
S 36.4962 48.2947 72.2906
|
| 20 |
+
S 36.4832 48.3523 72.2461
|
| 21 |
+
S 36.5580 48.4490 72.2643
|
| 22 |
+
S 36.5531 48.5289 72.2975
|
| 23 |
+
S 36.5387 48.6184 72.4023
|
| 24 |
+
S 36.5675 48.6841 72.4361
|
| 25 |
+
S 36.5960 48.6304 72.4825
|
| 26 |
+
S 36.6498 48.5733 72.4303
|
| 27 |
+
S 36.6515 48.5391 72.4126
|
| 28 |
+
S 36.6596 48.4649 72.3296
|
| 29 |
+
S 36.6502 48.4588 72.3306
|
| 30 |
+
S 36.5060 48.4869 72.4045
|
| 31 |
+
S 36.4032 48.4273 72.5362
|
| 32 |
+
S 36.3290 48.2825 72.6411
|
| 33 |
+
S 36.2486 48.1094 72.6923
|
| 34 |
+
S 36.2316 47.9912 72.8824
|
| 35 |
+
S 36.2505 47.8976 73.2198
|
| 36 |
+
S 36.2183 47.8375 73.6156
|
| 37 |
+
S 36.1574 47.8839 73.8703
|
| 38 |
+
S 36.0764 47.9797 73.9941
|
| 39 |
+
S 36.1158 48.0965 73.9527
|
| 40 |
+
S 36.1545 48.1865 73.7734
|
| 41 |
+
S 36.1525 48.2197 73.5725
|
| 42 |
+
S 36.2033 48.3201 73.5809
|
| 43 |
+
S 36.3152 48.3771 73.7037
|
| 44 |
+
S 36.4592 48.3684 73.8604
|
| 45 |
+
S 36.4556 48.2073 73.9874
|
| 46 |
+
S 36.3730 48.1680 74.1058
|
| 47 |
+
S 36.2708 48.3052 74.1356
|
| 48 |
+
S 36.2604 48.4550 74.0332
|
| 49 |
+
S 36.3198 48.4836 73.9564
|
| 50 |
+
S 36.2886 48.5095 74.0042
|
| 51 |
+
S 36.2683 48.6399 74.0691
|
| 52 |
+
S 36.3991 48.6757 74.0925
|
| 53 |
+
S 36.4552 48.6717 74.2266
|
| 54 |
+
S 36.3705 48.7884 74.4087
|
1uwf_ligand_7_619_dock/MCpath12.xyz
ADDED
|
@@ -0,0 +1,67 @@
|
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|
|
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|
| 1 |
+
65
|
| 2 |
+
65
|
| 3 |
+
S 36.2746 47.8891 72.1314
|
| 4 |
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S 36.3501 47.9270 72.0698
|
| 5 |
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S 36.3361 48.0859 72.0470
|
| 6 |
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S 36.2787 48.1988 72.1010
|
| 7 |
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S 36.2277 48.1288 72.0733
|
| 8 |
+
S 36.2236 48.1240 72.0956
|
| 9 |
+
S 36.3174 48.2117 72.0532
|
| 10 |
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S 36.3371 48.2174 72.0519
|
| 11 |
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S 36.2879 48.2878 72.1347
|
| 12 |
+
S 36.3591 48.2856 72.2547
|
| 13 |
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S 36.4761 48.3149 72.3496
|
| 14 |
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S 36.5236 48.4085 72.3139
|
| 15 |
+
S 36.6151 48.4780 72.2942
|
| 16 |
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S 36.7434 48.5907 72.3370
|
| 17 |
+
S 36.7748 48.6425 72.4605
|
| 18 |
+
S 36.7215 48.5736 72.5934
|
| 19 |
+
S 36.6647 48.5088 72.7812
|
| 20 |
+
S 36.5152 48.4057 72.9938
|
| 21 |
+
S 36.5510 48.2241 73.1457
|
| 22 |
+
S 36.6344 48.0564 73.2966
|
| 23 |
+
S 36.5226 48.0196 73.4079
|
| 24 |
+
S 36.4288 48.0817 73.4601
|
| 25 |
+
S 36.4793 48.1298 73.5154
|
| 26 |
+
S 36.4907 48.2006 73.5543
|
| 27 |
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S 36.4157 48.3127 73.5941
|
| 28 |
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S 36.4536 48.4044 73.6120
|
| 29 |
+
S 36.4754 48.5418 73.6020
|
| 30 |
+
S 36.5483 48.5866 73.6221
|
| 31 |
+
S 36.5247 48.6249 73.6653
|
| 32 |
+
S 36.6259 48.5941 73.7223
|
| 33 |
+
S 36.6692 48.5267 73.8095
|
| 34 |
+
S 36.5792 48.4133 73.9147
|
| 35 |
+
S 36.5169 48.3408 73.9496
|
| 36 |
+
S 36.4376 48.3474 73.9611
|
| 37 |
+
S 36.3940 48.4064 73.9230
|
| 38 |
+
S 36.3950 48.4803 73.8997
|
| 39 |
+
S 36.4637 48.4102 73.8386
|
| 40 |
+
S 36.4612 48.3578 73.8869
|
| 41 |
+
S 36.4762 48.3395 73.9487
|
| 42 |
+
S 36.4102 48.3699 74.0027
|
| 43 |
+
S 36.3979 48.4128 74.1222
|
| 44 |
+
S 36.4282 48.4014 74.2519
|
| 45 |
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S 36.4198 48.3303 74.3889
|
| 46 |
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S 36.5005 48.3382 74.6427
|
| 47 |
+
S 36.6539 48.3960 74.9221
|
| 48 |
+
S 36.6915 48.3799 75.1384
|
| 49 |
+
S 36.7105 48.3857 75.3089
|
| 50 |
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S 36.6596 48.4065 75.3639
|
| 51 |
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S 36.5492 48.3773 75.3698
|
| 52 |
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S 36.3500 48.3854 75.3871
|
| 53 |
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S 36.3403 48.3474 75.4749
|
| 54 |
+
S 36.4817 48.4160 75.5391
|
| 55 |
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S 36.5716 48.5144 75.6410
|
| 56 |
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S 36.6626 48.5390 75.7250
|
| 57 |
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S 36.8872 48.4703 75.7909
|
| 58 |
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S 37.0504 48.3804 75.8025
|
| 59 |
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S 37.1621 48.3080 75.7470
|
| 60 |
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S 37.2031 48.3777 75.6230
|
| 61 |
+
S 37.1831 48.5435 75.4059
|
| 62 |
+
S 37.1271 48.7614 75.2479
|
| 63 |
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S 37.1292 49.0554 75.0979
|
| 64 |
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S 37.2003 49.2342 74.8970
|
| 65 |
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S 37.3277 49.3595 74.7899
|
| 66 |
+
S 37.4509 49.5772 74.8886
|
| 67 |
+
S 37.6517 49.7799 74.9671
|
1uwf_ligand_7_619_dock/MCpath13.xyz
ADDED
|
@@ -0,0 +1,36 @@
|
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|
| 1 |
+
34
|
| 2 |
+
34
|
| 3 |
+
S 36.4578 48.0348 72.1148
|
| 4 |
+
S 36.4392 48.0174 72.2019
|
| 5 |
+
S 36.4078 48.0625 72.3434
|
| 6 |
+
S 36.4378 48.0654 72.4237
|
| 7 |
+
S 36.5306 48.0578 72.4908
|
| 8 |
+
S 36.6122 48.1171 72.5151
|
| 9 |
+
S 36.6082 48.1473 72.4481
|
| 10 |
+
S 36.6198 48.1054 72.3662
|
| 11 |
+
S 36.6444 48.1553 72.2748
|
| 12 |
+
S 36.5982 48.2293 72.1681
|
| 13 |
+
S 36.4556 48.3061 72.0113
|
| 14 |
+
S 36.4039 48.2523 71.9442
|
| 15 |
+
S 36.3831 48.1393 72.0204
|
| 16 |
+
S 36.5084 48.0824 72.0804
|
| 17 |
+
S 36.5669 48.0842 72.1732
|
| 18 |
+
S 36.4891 48.1706 72.3161
|
| 19 |
+
S 36.4641 48.3139 72.4244
|
| 20 |
+
S 36.5373 48.5309 72.4570
|
| 21 |
+
S 36.6686 48.5993 72.5272
|
| 22 |
+
S 36.7887 48.6302 72.5380
|
| 23 |
+
S 36.8089 48.5708 72.4980
|
| 24 |
+
S 36.7325 48.4900 72.4747
|
| 25 |
+
S 36.6859 48.5334 72.4030
|
| 26 |
+
S 36.6225 48.4840 72.3429
|
| 27 |
+
S 36.5930 48.3794 72.2963
|
| 28 |
+
S 36.5470 48.1826 72.3073
|
| 29 |
+
S 36.5339 48.0803 72.3351
|
| 30 |
+
S 36.4951 48.0595 72.4545
|
| 31 |
+
S 36.5508 48.0595 72.5359
|
| 32 |
+
S 36.6868 48.1109 72.6134
|
| 33 |
+
S 36.7698 48.2531 72.6580
|
| 34 |
+
S 36.6430 48.4236 72.6288
|
| 35 |
+
S 36.4213 48.6287 72.5024
|
| 36 |
+
S 36.2383 48.7661 72.3650
|
1uwf_ligand_7_619_dock/MCpath14.xyz
ADDED
|
@@ -0,0 +1,36 @@
|
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|
| 1 |
+
34
|
| 2 |
+
34
|
| 3 |
+
S 36.4198 47.9217 72.1053
|
| 4 |
+
S 36.4751 47.9597 72.0599
|
| 5 |
+
S 36.5918 48.0638 71.9901
|
| 6 |
+
S 36.6315 48.0626 71.9051
|
| 7 |
+
S 36.5738 48.1152 71.9324
|
| 8 |
+
S 36.5321 48.2232 72.0945
|
| 9 |
+
S 36.5579 48.3630 72.2508
|
| 10 |
+
S 36.6476 48.5046 72.3312
|
| 11 |
+
S 36.6475 48.5176 72.3147
|
| 12 |
+
S 36.5491 48.5638 72.3909
|
| 13 |
+
S 36.5078 48.5801 72.3889
|
| 14 |
+
S 36.5149 48.5781 72.2993
|
| 15 |
+
S 36.5489 48.5673 72.2224
|
| 16 |
+
S 36.5553 48.3731 72.2081
|
| 17 |
+
S 36.5298 48.2216 72.2317
|
| 18 |
+
S 36.5421 48.0982 72.3218
|
| 19 |
+
S 36.5905 47.9317 72.2472
|
| 20 |
+
S 36.6357 47.8192 72.1754
|
| 21 |
+
S 36.4862 47.8274 72.1897
|
| 22 |
+
S 36.3418 47.9586 72.3411
|
| 23 |
+
S 36.3830 48.0104 72.4225
|
| 24 |
+
S 36.5461 48.0874 72.4512
|
| 25 |
+
S 36.7634 48.2798 72.4154
|
| 26 |
+
S 36.9021 48.4660 72.3868
|
| 27 |
+
S 36.8685 48.6161 72.2677
|
| 28 |
+
S 36.7831 48.6521 72.2070
|
| 29 |
+
S 36.7101 48.5873 72.2930
|
| 30 |
+
S 36.5213 48.4924 72.3992
|
| 31 |
+
S 36.3418 48.5297 72.5132
|
| 32 |
+
S 36.2535 48.5438 72.5984
|
| 33 |
+
S 36.3354 48.5581 72.6066
|
| 34 |
+
S 36.4920 48.6442 72.5881
|
| 35 |
+
S 36.5380 48.6913 72.5050
|
| 36 |
+
S 36.5851 48.8434 72.4104
|
1uwf_ligand_7_619_dock/MCpath15.xyz
ADDED
|
@@ -0,0 +1,31 @@
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|
| 1 |
+
29
|
| 2 |
+
29
|
| 3 |
+
S 36.6769 48.0171 72.1305
|
| 4 |
+
S 36.6795 48.0893 72.1733
|
| 5 |
+
S 36.5694 48.1352 72.1900
|
| 6 |
+
S 36.4507 48.1605 72.2945
|
| 7 |
+
S 36.4281 48.1838 72.3734
|
| 8 |
+
S 36.5601 48.1981 72.4155
|
| 9 |
+
S 36.7023 48.1781 72.4372
|
| 10 |
+
S 36.7349 48.1033 72.4391
|
| 11 |
+
S 36.6882 48.0628 72.3207
|
| 12 |
+
S 36.6515 47.9903 72.1663
|
| 13 |
+
S 36.5370 47.8977 72.0670
|
| 14 |
+
S 36.4401 47.8659 72.0963
|
| 15 |
+
S 36.3313 47.9844 72.1757
|
| 16 |
+
S 36.3294 48.1571 72.2085
|
| 17 |
+
S 36.3848 48.3026 72.1699
|
| 18 |
+
S 36.4121 48.3433 72.1840
|
| 19 |
+
S 36.4081 48.4197 72.3328
|
| 20 |
+
S 36.4753 48.4002 72.5062
|
| 21 |
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S 36.4048 48.3489 72.5931
|
| 22 |
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S 36.3950 48.2458 72.6092
|
| 23 |
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S 36.4721 48.1815 72.6062
|
| 24 |
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S 36.6199 48.1639 72.5497
|
| 25 |
+
S 36.5612 48.1371 72.5476
|
| 26 |
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S 36.5863 48.2156 72.5060
|
| 27 |
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S 36.6660 48.2777 72.5005
|
| 28 |
+
S 36.6208 48.3737 72.4818
|
| 29 |
+
S 36.6051 48.5096 72.5051
|
| 30 |
+
S 36.6296 48.6800 72.4836
|
| 31 |
+
S 36.6150 48.8479 72.4857
|
1uwf_ligand_7_619_dock/MCpath16.xyz
ADDED
|
@@ -0,0 +1,93 @@
|
|
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|
| 1 |
+
91
|
| 2 |
+
91
|
| 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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S 36.1507 48.2012 72.4296
|
| 15 |
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S 36.2197 48.2716 72.4909
|
| 16 |
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|
| 17 |
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S 36.2438 48.5163 72.5066
|
| 18 |
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S 36.2745 48.5335 72.5298
|
| 19 |
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S 36.3938 48.5848 72.4892
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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S 36.8448 48.5995 72.3915
|
| 24 |
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S 36.8288 48.5992 72.3395
|
| 25 |
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S 36.6801 48.6843 72.2447
|
| 26 |
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|
| 27 |
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S 36.4034 48.6651 72.4022
|
| 28 |
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S 36.3914 48.6282 72.5590
|
| 29 |
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S 36.4390 48.5712 72.5353
|
| 30 |
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S 36.5434 48.5029 72.5006
|
| 31 |
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S 36.6041 48.4686 72.4545
|
| 32 |
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S 36.6749 48.3432 72.3450
|
| 33 |
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S 36.7566 48.2857 72.2724
|
| 34 |
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S 36.7569 48.2142 72.2193
|
| 35 |
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S 36.8179 48.1653 72.2165
|
| 36 |
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S 36.7256 48.1795 72.2720
|
| 37 |
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S 36.5533 48.1739 72.3027
|
| 38 |
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S 36.5868 48.2498 72.4331
|
| 39 |
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S 36.6890 48.3391 72.5389
|
| 40 |
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S 36.7994 48.4520 72.6726
|
| 41 |
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S 36.8512 48.4870 72.8948
|
| 42 |
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S 36.8586 48.3503 73.2792
|
| 43 |
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S 36.8925 48.2971 73.7474
|
| 44 |
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S 36.8745 48.3448 74.2777
|
| 45 |
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S 36.7971 48.2555 74.6080
|
| 46 |
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S 36.6836 48.2214 74.7054
|
| 47 |
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S 36.5527 48.2483 74.7332
|
| 48 |
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S 36.4704 48.3501 74.7870
|
| 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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S 36.4597 48.3836 74.3535
|
| 58 |
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S 36.4691 48.3939 74.2113
|
| 59 |
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|
| 60 |
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|
| 61 |
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S 36.3504 48.4382 74.1003
|
| 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 36.3538 48.4150 75.3223
|
| 68 |
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S 36.5053 48.3729 75.3794
|
| 69 |
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S 36.5534 48.3452 75.4698
|
| 70 |
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S 36.3903 48.3293 75.5918
|
| 71 |
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|
| 72 |
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S 36.2185 48.2975 75.5714
|
| 73 |
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S 36.1796 48.1947 75.6123
|
| 74 |
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|
| 75 |
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S 36.1825 48.3154 75.8361
|
| 76 |
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S 36.2578 48.3638 75.8751
|
| 77 |
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S 36.4576 48.4067 75.9321
|
| 78 |
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S 36.6236 48.3451 75.9862
|
| 79 |
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S 36.7935 48.3044 75.9382
|
| 80 |
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S 36.8896 48.3500 75.8609
|
| 81 |
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S 36.9142 48.4185 75.9274
|
| 82 |
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S 36.9115 48.4429 76.0511
|
| 83 |
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S 36.8480 48.3382 76.1785
|
| 84 |
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S 36.7768 48.2595 76.2716
|
| 85 |
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S 36.8219 48.1521 76.4057
|
| 86 |
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S 36.8506 48.1151 76.5635
|
| 87 |
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S 36.8342 48.1554 76.7907
|
| 88 |
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S 36.7332 48.2355 76.9500
|
| 89 |
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S 36.5574 48.2943 77.0989
|
| 90 |
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S 36.6009 48.3926 77.2564
|
| 91 |
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S 36.6748 48.4833 77.4655
|
| 92 |
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S 36.6473 48.6100 77.6109
|
| 93 |
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S 36.6393 48.7374 77.6525
|
1uwf_ligand_7_619_dock/MCpath17.xyz
ADDED
|
@@ -0,0 +1,28 @@
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|
| 1 |
+
26
|
| 2 |
+
26
|
| 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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|
| 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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S 36.6226 48.6949 72.5344
|
1uwf_ligand_7_619_dock/MCpath18.xyz
ADDED
|
@@ -0,0 +1,40 @@
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| 1 |
+
38
|
| 2 |
+
38
|
| 3 |
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|
| 4 |
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S 36.3360 48.3218 72.1621
|
| 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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S 36.4487 48.6521 72.0864
|
| 12 |
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S 36.3203 48.6054 72.1866
|
| 13 |
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S 36.3644 48.5463 72.2207
|
| 14 |
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S 36.3780 48.4876 72.3210
|
| 15 |
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|
| 16 |
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|
| 17 |
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S 36.4767 48.4899 72.5517
|
| 18 |
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S 36.4571 48.4158 72.5982
|
| 19 |
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|
| 20 |
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S 36.5193 48.3915 72.6426
|
| 21 |
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|
| 22 |
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S 36.5902 48.4372 72.5423
|
| 23 |
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S 36.6777 48.4513 72.5883
|
| 24 |
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S 36.6773 48.4841 72.5798
|
| 25 |
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S 36.5846 48.5006 72.5084
|
| 26 |
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S 36.4503 48.5233 72.3931
|
| 27 |
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S 36.3809 48.5277 72.2522
|
| 28 |
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S 36.3481 48.4474 72.1511
|
| 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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|
1uwf_ligand_7_619_dock/MCpath19.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 36.3436 48.1522 72.2411
|
| 5 |
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|
| 6 |
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S 36.5526 48.1234 72.1433
|
| 7 |
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S 36.6075 48.0540 72.1445
|
| 8 |
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S 36.5773 48.0415 72.1874
|
| 9 |
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S 36.5027 48.1114 72.1866
|
| 10 |
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S 36.4269 48.1535 72.2559
|
| 11 |
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S 36.3465 48.2210 72.2592
|
| 12 |
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S 36.4099 48.3132 72.2532
|
| 13 |
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S 36.4883 48.2758 72.2223
|
| 14 |
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S 36.5231 48.2268 72.2638
|
| 15 |
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S 36.5176 48.3149 72.2847
|
| 16 |
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S 36.5130 48.4232 72.2918
|
| 17 |
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S 36.5310 48.5136 72.3132
|
| 18 |
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S 36.5758 48.6499 72.3528
|
| 19 |
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S 36.5688 48.6895 72.3705
|
| 20 |
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S 36.5427 48.5624 72.3104
|
| 21 |
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S 36.5775 48.5529 72.1969
|
| 22 |
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S 36.5954 48.4500 72.1025
|
| 23 |
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S 36.5503 48.3258 72.0924
|
| 24 |
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S 36.5561 48.3017 72.2712
|
| 25 |
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S 36.5290 48.3997 72.4092
|
| 26 |
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S 36.5419 48.5008 72.5362
|
| 27 |
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S 36.6285 48.4841 72.6884
|
| 28 |
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S 36.7467 48.5228 72.9241
|
| 29 |
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S 36.8046 48.5579 73.2496
|
| 30 |
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S 36.7858 48.5346 73.6129
|
| 31 |
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S 36.6718 48.4016 73.8911
|
| 32 |
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S 36.5780 48.3783 74.0670
|
| 33 |
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S 36.5813 48.4168 74.0734
|
| 34 |
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S 36.6185 48.3817 74.0406
|
| 35 |
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S 36.5988 48.4655 73.9298
|
| 36 |
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S 36.5942 48.4678 73.8685
|
| 37 |
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S 36.5131 48.4630 73.7624
|
| 38 |
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S 36.3891 48.4506 73.6179
|
| 39 |
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S 36.3514 48.5340 73.5750
|
| 40 |
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S 36.2888 48.5884 73.6198
|
| 41 |
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S 36.1271 48.5675 73.7061
|
| 42 |
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S 36.2113 48.4874 73.8689
|
| 43 |
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S 36.3304 48.3282 74.0611
|
| 44 |
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S 36.3810 48.2567 74.2011
|
| 45 |
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S 36.3842 48.2055 74.2664
|
| 46 |
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S 36.4612 48.1372 74.3347
|
| 47 |
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S 36.4934 48.0557 74.3533
|
| 48 |
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S 36.4447 48.1226 74.4304
|
| 49 |
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S 36.3064 48.1955 74.4952
|
| 50 |
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S 36.1562 48.2319 74.5428
|
| 51 |
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S 36.0632 48.3026 74.5013
|
| 52 |
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S 35.8568 48.3294 74.3680
|
| 53 |
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S 35.7013 48.2919 74.2464
|
| 54 |
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S 35.4456 48.1708 74.1143
|
| 55 |
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S 35.1325 48.2556 73.9547
|
| 56 |
+
S 35.0182 48.5019 73.7664
|
1uwf_ligand_7_619_dock/MCpath2.xyz
ADDED
|
@@ -0,0 +1,18 @@
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| 1 |
+
16
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| 2 |
+
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| 3 |
+
S 36.4477 47.8605 71.9558
|
| 4 |
+
S 36.3452 47.9658 71.9147
|
| 5 |
+
S 36.2476 48.0336 71.8774
|
| 6 |
+
S 36.2508 48.0488 71.9006
|
| 7 |
+
S 36.3028 48.1228 71.9199
|
| 8 |
+
S 36.3545 48.2510 71.9705
|
| 9 |
+
S 36.4077 48.3969 71.9905
|
| 10 |
+
S 36.4675 48.4666 72.0133
|
| 11 |
+
S 36.5265 48.4170 72.1347
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| 12 |
+
S 36.5928 48.3157 72.2783
|
| 13 |
+
S 36.6931 48.2801 72.4115
|
| 14 |
+
S 36.6662 48.2835 72.4907
|
| 15 |
+
S 36.6354 48.2872 72.5941
|
| 16 |
+
S 36.7055 48.3560 72.6461
|
| 17 |
+
S 36.7833 48.5842 72.6244
|
| 18 |
+
S 36.7941 48.8423 72.5318
|
1uwf_ligand_7_619_dock/MCpath20.xyz
ADDED
|
@@ -0,0 +1,24 @@
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| 1 |
+
22
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| 2 |
+
22
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| 3 |
+
S 36.2662 47.9896 71.8627
|
| 4 |
+
S 36.2636 47.9475 71.9469
|
| 5 |
+
S 36.3144 47.8975 72.0848
|
| 6 |
+
S 36.3484 47.9056 72.2160
|
| 7 |
+
S 36.3489 47.9871 72.3790
|
| 8 |
+
S 36.2597 48.0103 72.4163
|
| 9 |
+
S 36.2209 48.0472 72.3833
|
| 10 |
+
S 36.2163 48.1764 72.2173
|
| 11 |
+
S 36.3038 48.3179 72.0649
|
| 12 |
+
S 36.3463 48.3619 71.9443
|
| 13 |
+
S 36.3628 48.2977 71.9386
|
| 14 |
+
S 36.2951 48.2666 71.9410
|
| 15 |
+
S 36.1353 48.2302 71.9579
|
| 16 |
+
S 36.0885 48.2007 71.9655
|
| 17 |
+
S 36.1613 48.1829 72.0487
|
| 18 |
+
S 36.3117 48.2155 72.0882
|
| 19 |
+
S 36.3382 48.2303 72.1642
|
| 20 |
+
S 36.2331 48.2400 72.2507
|
| 21 |
+
S 36.2668 48.4323 72.3506
|
| 22 |
+
S 36.2745 48.5575 72.4617
|
| 23 |
+
S 36.3036 48.6854 72.5544
|
| 24 |
+
S 36.2950 48.7573 72.6180
|
1uwf_ligand_7_619_dock/MCpath21.xyz
ADDED
|
@@ -0,0 +1,74 @@
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| 1 |
+
72
|
| 2 |
+
72
|
| 3 |
+
S 36.3093 47.8502 72.1672
|
| 4 |
+
S 36.3056 47.8123 72.1801
|
| 5 |
+
S 36.2614 47.8482 72.2444
|
| 6 |
+
S 36.2347 47.8864 72.2991
|
| 7 |
+
S 36.1667 47.8649 72.3268
|
| 8 |
+
S 36.2039 47.8452 72.2680
|
| 9 |
+
S 36.2982 47.7926 72.2196
|
| 10 |
+
S 36.3908 47.8085 72.2430
|
| 11 |
+
S 36.4397 47.8470 72.2722
|
| 12 |
+
S 36.4824 47.8766 72.3270
|
| 13 |
+
S 36.5031 47.9838 72.4123
|
| 14 |
+
S 36.4600 48.1001 72.3610
|
| 15 |
+
S 36.4361 48.1297 72.2966
|
| 16 |
+
S 36.5327 48.1261 72.2479
|
| 17 |
+
S 36.5869 48.1362 72.2509
|
| 18 |
+
S 36.4964 48.1851 72.2827
|
| 19 |
+
S 36.3528 48.3174 72.3139
|
| 20 |
+
S 36.2926 48.3565 72.3078
|
| 21 |
+
S 36.3057 48.4062 72.3160
|
| 22 |
+
S 36.3816 48.3243 72.3017
|
| 23 |
+
S 36.5107 48.3590 72.4006
|
| 24 |
+
S 36.6263 48.4224 72.4499
|
| 25 |
+
S 36.4901 48.5194 72.4286
|
| 26 |
+
S 36.4134 48.6193 72.3837
|
| 27 |
+
S 36.3890 48.5703 72.4299
|
| 28 |
+
S 36.4346 48.4765 72.5187
|
| 29 |
+
S 36.3996 48.4010 72.6042
|
| 30 |
+
S 36.4178 48.3500 72.6598
|
| 31 |
+
S 36.5884 48.4171 72.7133
|
| 32 |
+
S 36.7769 48.4686 72.8461
|
| 33 |
+
S 36.7680 48.4473 73.1390
|
| 34 |
+
S 36.7406 48.3328 73.4952
|
| 35 |
+
S 36.7430 48.1612 73.8849
|
| 36 |
+
S 36.6704 48.0258 74.0855
|
| 37 |
+
S 36.7216 48.0392 74.1925
|
| 38 |
+
S 36.7046 48.2141 74.1856
|
| 39 |
+
S 36.6787 48.3463 74.0908
|
| 40 |
+
S 36.6989 48.4294 74.0097
|
| 41 |
+
S 36.5715 48.4419 73.9071
|
| 42 |
+
S 36.4826 48.4430 73.9412
|
| 43 |
+
S 36.3063 48.4112 74.0169
|
| 44 |
+
S 36.1901 48.4123 73.9344
|
| 45 |
+
S 36.2024 48.3344 73.8756
|
| 46 |
+
S 36.2196 48.2688 73.8234
|
| 47 |
+
S 36.1159 48.1902 73.7961
|
| 48 |
+
S 36.1344 48.1615 73.9272
|
| 49 |
+
S 36.2324 48.1936 74.0081
|
| 50 |
+
S 36.2341 48.2442 74.0928
|
| 51 |
+
S 36.2448 48.1844 74.2282
|
| 52 |
+
S 36.2857 48.1498 74.4217
|
| 53 |
+
S 36.2590 48.1411 74.5497
|
| 54 |
+
S 36.2600 48.1709 74.7060
|
| 55 |
+
S 36.2241 48.2082 74.7683
|
| 56 |
+
S 36.3032 48.1828 74.6602
|
| 57 |
+
S 36.3553 48.2673 74.6497
|
| 58 |
+
S 36.4003 48.4216 74.7168
|
| 59 |
+
S 36.4388 48.4997 74.8501
|
| 60 |
+
S 36.4759 48.4939 75.0785
|
| 61 |
+
S 36.4366 48.3852 75.3186
|
| 62 |
+
S 36.4524 48.3746 75.5196
|
| 63 |
+
S 36.4792 48.4067 75.6962
|
| 64 |
+
S 36.5261 48.3215 75.7431
|
| 65 |
+
S 36.5082 48.1976 75.7385
|
| 66 |
+
S 36.5394 48.1509 75.6660
|
| 67 |
+
S 36.5021 48.1735 75.6473
|
| 68 |
+
S 36.4906 48.1269 75.7240
|
| 69 |
+
S 36.5108 48.1119 75.7805
|
| 70 |
+
S 36.4674 48.2860 75.7024
|
| 71 |
+
S 36.4315 48.4249 75.7400
|
| 72 |
+
S 36.3718 48.4948 75.7610
|
| 73 |
+
S 36.3708 48.6405 75.7740
|
| 74 |
+
S 36.4101 48.7105 75.8560
|
1uwf_ligand_7_619_dock/MCpath22.xyz
ADDED
|
@@ -0,0 +1,69 @@
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| 1 |
+
67
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| 2 |
+
67
|
| 3 |
+
S 36.5100 47.7220 72.1303
|
| 4 |
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S 36.3399 47.7699 72.0871
|
| 5 |
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S 36.2219 47.8757 72.0768
|
| 6 |
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S 36.2324 47.9443 72.1217
|
| 7 |
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S 36.3704 47.9886 72.1565
|
| 8 |
+
S 36.4345 47.9901 72.1761
|
| 9 |
+
S 36.4770 47.9700 72.1631
|
| 10 |
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S 36.3468 48.0386 72.1531
|
| 11 |
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S 36.3159 48.1018 72.2044
|
| 12 |
+
S 36.3684 48.0982 72.3093
|
| 13 |
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S 36.4823 48.0697 72.3442
|
| 14 |
+
S 36.5347 47.9569 72.3221
|
| 15 |
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S 36.4128 47.9321 72.4664
|
| 16 |
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S 36.3358 48.0702 72.6082
|
| 17 |
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S 36.3024 48.0819 72.7545
|
| 18 |
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S 36.4099 48.0674 72.8042
|
| 19 |
+
S 36.4166 48.0297 72.8220
|
| 20 |
+
S 36.3695 47.9744 72.8054
|
| 21 |
+
S 36.3518 47.8909 72.8864
|
| 22 |
+
S 36.4486 47.8758 72.9230
|
| 23 |
+
S 36.4803 47.9214 72.9801
|
| 24 |
+
S 36.5074 47.9219 73.1279
|
| 25 |
+
S 36.5359 48.0349 73.2633
|
| 26 |
+
S 36.5070 48.1897 73.3982
|
| 27 |
+
S 36.5244 48.2501 73.3736
|
| 28 |
+
S 36.5891 48.3284 73.3384
|
| 29 |
+
S 36.6476 48.3420 73.2736
|
| 30 |
+
S 36.5695 48.2732 73.2122
|
| 31 |
+
S 36.3982 48.3501 73.2762
|
| 32 |
+
S 36.3094 48.4423 73.4106
|
| 33 |
+
S 36.2875 48.5826 73.5028
|
| 34 |
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S 36.3699 48.6797 73.6216
|
| 35 |
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S 36.4222 48.7059 73.7152
|
| 36 |
+
S 36.4991 48.6422 73.6818
|
| 37 |
+
S 36.4766 48.5650 73.6617
|
| 38 |
+
S 36.3743 48.5211 73.7308
|
| 39 |
+
S 36.2346 48.4370 73.7814
|
| 40 |
+
S 36.2924 48.3724 73.7543
|
| 41 |
+
S 36.4700 48.2434 73.8037
|
| 42 |
+
S 36.6540 48.1085 73.9169
|
| 43 |
+
S 36.6958 48.1472 74.0940
|
| 44 |
+
S 36.7574 48.2077 74.2370
|
| 45 |
+
S 36.8617 48.3307 74.4320
|
| 46 |
+
S 36.9124 48.4464 74.7358
|
| 47 |
+
S 36.9256 48.4907 74.9502
|
| 48 |
+
S 36.9442 48.4328 74.9455
|
| 49 |
+
S 36.9459 48.3694 74.8931
|
| 50 |
+
S 36.9157 48.3219 74.7814
|
| 51 |
+
S 36.9196 48.2240 74.7973
|
| 52 |
+
S 36.9609 48.1675 74.8716
|
| 53 |
+
S 36.8481 48.2230 74.9205
|
| 54 |
+
S 36.7888 48.3810 75.0154
|
| 55 |
+
S 36.6708 48.5809 75.0647
|
| 56 |
+
S 36.6547 48.6437 75.0207
|
| 57 |
+
S 36.6371 48.6306 75.0089
|
| 58 |
+
S 36.6462 48.5644 75.1520
|
| 59 |
+
S 36.5681 48.5105 75.2663
|
| 60 |
+
S 36.3075 48.4486 75.3652
|
| 61 |
+
S 36.1401 48.4149 75.4974
|
| 62 |
+
S 36.0926 48.3760 75.6105
|
| 63 |
+
S 35.9259 48.3513 75.6638
|
| 64 |
+
S 35.6880 48.3004 75.5841
|
| 65 |
+
S 35.4753 48.1918 75.4833
|
| 66 |
+
S 35.3851 48.1823 75.4476
|
| 67 |
+
S 35.3090 48.1980 75.4529
|
| 68 |
+
S 35.1465 48.2001 75.4680
|
| 69 |
+
S 35.0268 48.1822 75.4709
|
1uwf_ligand_7_619_dock/MCpath23.xyz
ADDED
|
@@ -0,0 +1,43 @@
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|
| 1 |
+
41
|
| 2 |
+
41
|
| 3 |
+
S 36.5034 48.0735 72.2477
|
| 4 |
+
S 36.5537 48.0603 72.3231
|
| 5 |
+
S 36.5559 48.0209 72.3550
|
| 6 |
+
S 36.4678 48.0069 72.3983
|
| 7 |
+
S 36.3263 47.9581 72.3200
|
| 8 |
+
S 36.3427 47.9267 72.3267
|
| 9 |
+
S 36.4477 47.8977 72.2999
|
| 10 |
+
S 36.4796 47.9614 72.2929
|
| 11 |
+
S 36.5181 48.1447 72.3521
|
| 12 |
+
S 36.5086 48.3932 72.3561
|
| 13 |
+
S 36.5083 48.5497 72.3489
|
| 14 |
+
S 36.5679 48.5813 72.3813
|
| 15 |
+
S 36.6472 48.4915 72.5345
|
| 16 |
+
S 36.7807 48.4242 72.6174
|
| 17 |
+
S 36.8527 48.4097 72.5376
|
| 18 |
+
S 36.8374 48.3799 72.5480
|
| 19 |
+
S 36.6976 48.3702 72.5417
|
| 20 |
+
S 36.6465 48.3663 72.4662
|
| 21 |
+
S 36.5923 48.4476 72.4111
|
| 22 |
+
S 36.5211 48.4921 72.4041
|
| 23 |
+
S 36.4650 48.5363 72.4138
|
| 24 |
+
S 36.3047 48.4526 72.3935
|
| 25 |
+
S 36.3023 48.3723 72.5080
|
| 26 |
+
S 36.3579 48.3694 72.5079
|
| 27 |
+
S 36.3992 48.3344 72.5089
|
| 28 |
+
S 36.5340 48.3093 72.5670
|
| 29 |
+
S 36.6135 48.3215 72.6424
|
| 30 |
+
S 36.5939 48.4121 72.6788
|
| 31 |
+
S 36.5569 48.4736 72.8519
|
| 32 |
+
S 36.5372 48.3843 73.1293
|
| 33 |
+
S 36.4412 48.2822 73.5284
|
| 34 |
+
S 36.3796 48.1342 73.8667
|
| 35 |
+
S 36.2808 48.0509 74.0389
|
| 36 |
+
S 36.2760 48.0259 74.1825
|
| 37 |
+
S 36.2614 48.1365 74.2383
|
| 38 |
+
S 36.1207 48.2474 74.1587
|
| 39 |
+
S 36.0049 48.2795 74.0624
|
| 40 |
+
S 35.8941 48.1939 74.0074
|
| 41 |
+
S 35.7509 48.1764 73.9189
|
| 42 |
+
S 35.5929 48.2474 73.7509
|
| 43 |
+
S 35.5599 48.2827 73.6695
|
1uwf_ligand_7_619_dock/MCpath24.xyz
ADDED
|
@@ -0,0 +1,32 @@
|
|
|
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| 1 |
+
30
|
| 2 |
+
30
|
| 3 |
+
S 36.4315 47.9545 71.9791
|
| 4 |
+
S 36.4894 47.9378 72.0457
|
| 5 |
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|
| 6 |
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S 36.4145 48.1408 72.1771
|
| 7 |
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S 36.4199 48.1455 72.2162
|
| 8 |
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S 36.4334 48.0364 72.2187
|
| 9 |
+
S 36.5262 48.0181 72.2136
|
| 10 |
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S 36.5960 48.1431 72.1999
|
| 11 |
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S 36.5278 48.2784 72.1544
|
| 12 |
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S 36.4592 48.4678 72.1656
|
| 13 |
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S 36.4885 48.5002 72.2059
|
| 14 |
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S 36.4132 48.4704 72.2302
|
| 15 |
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S 36.3494 48.4387 72.2093
|
| 16 |
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S 36.3246 48.3429 72.2410
|
| 17 |
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S 36.4160 48.1843 72.2507
|
| 18 |
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S 36.5369 48.1444 72.3411
|
| 19 |
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S 36.6410 48.1437 72.4525
|
| 20 |
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S 36.7417 48.1667 72.4795
|
| 21 |
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S 36.7776 48.2333 72.4485
|
| 22 |
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S 36.6767 48.3032 72.3764
|
| 23 |
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S 36.6409 48.3827 72.3325
|
| 24 |
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S 36.6162 48.5046 72.3414
|
| 25 |
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S 36.5241 48.4743 72.4386
|
| 26 |
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S 36.4438 48.4809 72.5466
|
| 27 |
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S 36.3331 48.4502 72.5403
|
| 28 |
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S 36.2822 48.4134 72.5510
|
| 29 |
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S 36.2706 48.3785 72.5611
|
| 30 |
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S 36.1695 48.3918 72.5669
|
| 31 |
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S 36.0974 48.3813 72.5908
|
| 32 |
+
S 35.9423 48.4873 72.6838
|
1uwf_ligand_7_619_dock/MCpath25.xyz
ADDED
|
@@ -0,0 +1,27 @@
|
|
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|
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|
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|
|
|
|
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|
| 1 |
+
25
|
| 2 |
+
25
|
| 3 |
+
S 36.2302 47.7527 72.1289
|
| 4 |
+
S 36.1646 47.7873 72.1729
|
| 5 |
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S 36.1238 47.7563 72.2341
|
| 6 |
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S 36.1004 47.7213 72.3316
|
| 7 |
+
S 36.0691 47.6687 72.4521
|
| 8 |
+
S 36.1398 47.5629 72.5248
|
| 9 |
+
S 36.2870 47.3948 72.5743
|
| 10 |
+
S 36.3567 47.3907 72.5513
|
| 11 |
+
S 36.3520 47.4578 72.5031
|
| 12 |
+
S 36.4069 47.5750 72.4001
|
| 13 |
+
S 36.4093 47.6178 72.3169
|
| 14 |
+
S 36.4413 47.6014 72.2077
|
| 15 |
+
S 36.3691 47.5607 72.1519
|
| 16 |
+
S 36.3168 47.5357 72.2438
|
| 17 |
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S 36.3553 47.5055 72.4060
|
| 18 |
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S 36.3684 47.4971 72.4898
|
| 19 |
+
S 36.4401 47.5787 72.4773
|
| 20 |
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S 36.5475 47.7122 72.4612
|
| 21 |
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S 36.5889 47.8332 72.3983
|
| 22 |
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S 36.6536 47.9877 72.3335
|
| 23 |
+
S 36.7195 48.2160 72.2486
|
| 24 |
+
S 36.7053 48.4015 72.2826
|
| 25 |
+
S 36.6463 48.5522 72.4233
|
| 26 |
+
S 36.6339 48.6681 72.5789
|
| 27 |
+
S 36.5244 48.7145 72.6039
|
1uwf_ligand_7_619_dock/MCpath26.xyz
ADDED
|
@@ -0,0 +1,55 @@
|
|
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|
|
|
|
|
| 1 |
+
53
|
| 2 |
+
53
|
| 3 |
+
S 36.5289 47.9064 72.0546
|
| 4 |
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S 36.4954 47.9551 72.0388
|
| 5 |
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S 36.4114 47.9964 71.9539
|
| 6 |
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S 36.3540 48.0648 72.0117
|
| 7 |
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S 36.3672 48.1782 72.0998
|
| 8 |
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S 36.4149 48.2424 72.1427
|
| 9 |
+
S 36.3549 48.2940 72.1924
|
| 10 |
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S 36.2980 48.3339 72.2199
|
| 11 |
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S 36.3642 48.3460 72.1695
|
| 12 |
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S 36.4134 48.3864 72.2030
|
| 13 |
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S 36.4067 48.2959 72.3304
|
| 14 |
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S 36.3720 48.2566 72.4328
|
| 15 |
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S 36.2946 48.2952 72.5261
|
| 16 |
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S 36.2752 48.4186 72.6528
|
| 17 |
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S 36.3023 48.4415 72.8134
|
| 18 |
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S 36.3499 48.3016 72.8185
|
| 19 |
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S 36.3659 48.1925 72.8278
|
| 20 |
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S 36.3479 48.1427 72.8075
|
| 21 |
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S 36.4822 48.1661 72.8655
|
| 22 |
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S 36.5469 48.2536 72.8733
|
| 23 |
+
S 36.5541 48.2779 72.8882
|
| 24 |
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S 36.4702 48.3948 72.9844
|
| 25 |
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S 36.4487 48.4892 73.1484
|
| 26 |
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S 36.4820 48.5195 73.3604
|
| 27 |
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S 36.3828 48.4598 73.4775
|
| 28 |
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S 36.3696 48.4069 73.6373
|
| 29 |
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S 36.4342 48.4091 73.7859
|
| 30 |
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S 36.4779 48.4551 73.8484
|
| 31 |
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S 36.5582 48.5003 73.8366
|
| 32 |
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S 36.6820 48.4116 73.7732
|
| 33 |
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S 36.7499 48.4748 73.6987
|
| 34 |
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S 36.7470 48.4850 73.7047
|
| 35 |
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S 36.7194 48.4660 73.6851
|
| 36 |
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S 36.6450 48.4092 73.5994
|
| 37 |
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S 36.5712 48.4099 73.5370
|
| 38 |
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S 36.5780 48.4428 73.5054
|
| 39 |
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S 36.5859 48.4278 73.5333
|
| 40 |
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S 36.5678 48.5816 73.6191
|
| 41 |
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S 36.5570 48.6424 73.5207
|
| 42 |
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S 36.5769 48.6288 73.4729
|
| 43 |
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S 36.5751 48.5526 73.4647
|
| 44 |
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S 36.4742 48.4889 73.4913
|
| 45 |
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S 36.4619 48.4808 73.5909
|
| 46 |
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S 36.4770 48.4544 73.7133
|
| 47 |
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S 36.4827 48.4049 73.8731
|
| 48 |
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S 36.3558 48.4189 74.0653
|
| 49 |
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S 36.2927 48.4369 74.2609
|
| 50 |
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S 36.2743 48.4686 74.5092
|
| 51 |
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S 36.2532 48.4359 74.6897
|
| 52 |
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S 36.4145 48.4564 74.7023
|
| 53 |
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S 36.5570 48.4858 74.6318
|
| 54 |
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S 36.5179 48.6315 74.6664
|
| 55 |
+
S 36.4448 48.7861 74.8475
|
1uwf_ligand_7_619_dock/MCpath27.xyz
ADDED
|
@@ -0,0 +1,81 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
| 1 |
+
79
|
| 2 |
+
79
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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S 36.1708 48.0445 72.3892
|
| 7 |
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S 36.1734 47.9983 72.4826
|
| 8 |
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S 36.1559 48.0369 72.5034
|
| 9 |
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S 36.2715 48.0969 72.4889
|
| 10 |
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S 36.3549 48.0493 72.3999
|
| 11 |
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S 36.3992 48.0014 72.3381
|
| 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 36.5985 48.4258 72.4368
|
| 17 |
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S 36.4837 48.5059 72.7284
|
| 18 |
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S 36.4378 48.5114 72.9765
|
| 19 |
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S 36.5044 48.3934 73.1174
|
| 20 |
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S 36.5793 48.2821 73.1916
|
| 21 |
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S 36.6524 48.3236 73.3372
|
| 22 |
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S 36.7163 48.3926 73.4597
|
| 23 |
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S 36.7848 48.3820 73.5297
|
| 24 |
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S 36.7600 48.3164 73.6604
|
| 25 |
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S 36.7146 48.2850 73.7933
|
| 26 |
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S 36.5531 48.2068 73.7389
|
| 27 |
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S 36.4914 48.1133 73.6388
|
| 28 |
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S 36.5148 48.1177 73.4850
|
| 29 |
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S 36.4863 48.2432 73.3247
|
| 30 |
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S 36.3919 48.4114 73.1472
|
| 31 |
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S 36.3238 48.5751 73.0332
|
| 32 |
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S 36.2726 48.5985 72.9759
|
| 33 |
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S 36.2531 48.5471 72.9789
|
| 34 |
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S 36.3086 48.5629 73.0648
|
| 35 |
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S 36.3551 48.5431 73.1954
|
| 36 |
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S 36.4153 48.4692 73.3340
|
| 37 |
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S 36.4152 48.4016 73.4499
|
| 38 |
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S 36.4184 48.3524 73.5291
|
| 39 |
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S 36.3317 48.3606 73.5644
|
| 40 |
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S 36.3454 48.3892 73.6212
|
| 41 |
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S 36.3576 48.4212 73.6466
|
| 42 |
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S 36.4176 48.5125 73.7132
|
| 43 |
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S 36.4189 48.5878 73.9038
|
| 44 |
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S 36.4154 48.5585 74.1785
|
| 45 |
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S 36.4145 48.5333 74.4793
|
| 46 |
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S 36.3790 48.5831 74.7907
|
| 47 |
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S 36.3810 48.5079 74.9742
|
| 48 |
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S 36.5368 48.4477 75.1132
|
| 49 |
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S 36.6616 48.3871 75.1613
|
| 50 |
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S 36.6304 48.3693 75.2259
|
| 51 |
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S 36.5301 48.4138 75.3572
|
| 52 |
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S 36.5008 48.3861 75.4172
|
| 53 |
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S 36.4911 48.3410 75.4179
|
| 54 |
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S 36.5488 48.2412 75.4451
|
| 55 |
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S 36.5387 48.1780 75.5285
|
| 56 |
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S 36.4221 48.1876 75.7140
|
| 57 |
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S 36.2864 48.3303 75.8381
|
| 58 |
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S 36.2656 48.3616 75.9736
|
| 59 |
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S 36.3529 48.3564 76.0454
|
| 60 |
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S 36.3258 48.3013 76.0481
|
| 61 |
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S 36.3090 48.3014 76.1784
|
| 62 |
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S 36.2141 48.3799 76.2970
|
| 63 |
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S 36.2176 48.3251 76.3843
|
| 64 |
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S 36.3458 48.3267 76.3043
|
| 65 |
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S 36.3913 48.1948 76.2074
|
| 66 |
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S 36.3973 48.0561 76.1288
|
| 67 |
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S 36.3323 47.9912 76.0161
|
| 68 |
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S 36.3082 47.9164 75.9199
|
| 69 |
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S 36.3310 47.9171 75.9300
|
| 70 |
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S 36.3346 47.9419 75.9818
|
| 71 |
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S 36.2469 48.0681 76.0961
|
| 72 |
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S 36.2032 48.2459 76.2809
|
| 73 |
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S 36.2490 48.3819 76.4734
|
| 74 |
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S 36.3254 48.5112 76.5621
|
| 75 |
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S 36.3752 48.5106 76.6981
|
| 76 |
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S 36.4146 48.4636 76.9206
|
| 77 |
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S 36.5302 48.3835 77.1365
|
| 78 |
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S 36.6722 48.3251 77.2883
|
| 79 |
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S 36.8127 48.3881 77.4875
|
| 80 |
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S 36.9538 48.5953 77.6328
|
| 81 |
+
S 36.9716 48.9204 77.5771
|
1uwf_ligand_7_619_dock/MCpath28.xyz
ADDED
|
@@ -0,0 +1,51 @@
|
|
|
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|
|
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|
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|
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|
| 1 |
+
49
|
| 2 |
+
49
|
| 3 |
+
S 36.3968 48.0270 71.9942
|
| 4 |
+
S 36.3777 47.9715 72.0407
|
| 5 |
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S 36.3842 47.9275 72.0606
|
| 6 |
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S 36.3765 47.9089 72.0152
|
| 7 |
+
S 36.3612 47.8925 72.0573
|
| 8 |
+
S 36.3347 47.9370 72.0813
|
| 9 |
+
S 36.3653 48.0589 72.1721
|
| 10 |
+
S 36.3810 48.0840 72.2449
|
| 11 |
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S 36.3563 48.0361 72.3174
|
| 12 |
+
S 36.4014 48.0928 72.3777
|
| 13 |
+
S 36.4724 48.1147 72.4281
|
| 14 |
+
S 36.4669 48.1925 72.4351
|
| 15 |
+
S 36.4663 48.3111 72.3813
|
| 16 |
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S 36.4915 48.4245 72.3021
|
| 17 |
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S 36.5835 48.4932 72.2216
|
| 18 |
+
S 36.6285 48.5556 72.1637
|
| 19 |
+
S 36.6403 48.6170 72.1143
|
| 20 |
+
S 36.5300 48.5994 72.0772
|
| 21 |
+
S 36.4949 48.5245 72.0892
|
| 22 |
+
S 36.5447 48.4715 72.1001
|
| 23 |
+
S 36.5410 48.4541 72.1871
|
| 24 |
+
S 36.5022 48.4556 72.3188
|
| 25 |
+
S 36.4964 48.3825 72.4915
|
| 26 |
+
S 36.4649 48.3649 72.7238
|
| 27 |
+
S 36.4900 48.4394 72.9580
|
| 28 |
+
S 36.5459 48.4874 73.0711
|
| 29 |
+
S 36.3956 48.4401 73.1496
|
| 30 |
+
S 36.2413 48.3187 73.3600
|
| 31 |
+
S 36.2117 48.2831 73.5957
|
| 32 |
+
S 36.3402 48.2538 73.7459
|
| 33 |
+
S 36.3882 48.2245 73.7674
|
| 34 |
+
S 36.3457 48.1962 73.7942
|
| 35 |
+
S 36.2459 48.2247 73.8528
|
| 36 |
+
S 36.3266 48.3421 73.8381
|
| 37 |
+
S 36.4639 48.4698 73.7877
|
| 38 |
+
S 36.5079 48.4900 73.7242
|
| 39 |
+
S 36.6296 48.5013 73.6692
|
| 40 |
+
S 36.7071 48.6350 73.6896
|
| 41 |
+
S 36.6633 48.7105 73.6910
|
| 42 |
+
S 36.5707 48.6608 73.7224
|
| 43 |
+
S 36.4650 48.4577 73.7933
|
| 44 |
+
S 36.3915 48.2372 73.8588
|
| 45 |
+
S 36.3228 48.1541 74.0829
|
| 46 |
+
S 36.2104 48.1834 74.2455
|
| 47 |
+
S 36.0335 48.2018 74.4532
|
| 48 |
+
S 35.8263 48.2207 74.4980
|
| 49 |
+
S 35.6583 48.1852 74.3625
|
| 50 |
+
S 35.4033 48.1886 74.1555
|
| 51 |
+
S 35.0490 48.1787 74.0067
|
1uwf_ligand_7_619_dock/MCpath29.xyz
ADDED
|
@@ -0,0 +1,19 @@
|
|
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|
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|
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|
| 1 |
+
17
|
| 2 |
+
17
|
| 3 |
+
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|
| 4 |
+
S 36.2986 47.7617 71.8377
|
| 5 |
+
S 36.3813 47.7532 71.8689
|
| 6 |
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S 36.4193 47.8429 71.9259
|
| 7 |
+
S 36.4277 48.0059 71.9510
|
| 8 |
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S 36.3673 48.0918 72.0214
|
| 9 |
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S 36.3444 48.1821 72.0651
|
| 10 |
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S 36.3243 48.1683 72.0708
|
| 11 |
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S 36.4311 48.2470 72.0327
|
| 12 |
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S 36.4850 48.2740 72.0041
|
| 13 |
+
S 36.4592 48.2576 71.9790
|
| 14 |
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S 36.4628 48.3165 72.0534
|
| 15 |
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S 36.4679 48.4474 72.0833
|
| 16 |
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S 36.3277 48.5164 72.1991
|
| 17 |
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S 36.2775 48.5472 72.2495
|
| 18 |
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S 36.2788 48.6128 72.3347
|
| 19 |
+
S 36.3314 48.7203 72.4964
|
1uwf_ligand_7_619_dock/MCpath3.xyz
ADDED
|
@@ -0,0 +1,49 @@
|
|
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|
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|
|
|
|
|
| 1 |
+
47
|
| 2 |
+
47
|
| 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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|
| 17 |
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S 36.4620 48.4691 72.4348
|
| 18 |
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S 36.5348 48.4548 72.4909
|
| 19 |
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S 36.4792 48.4664 72.5585
|
| 20 |
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S 36.4837 48.4836 72.6055
|
| 21 |
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S 36.5311 48.4905 72.6595
|
| 22 |
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|
| 23 |
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S 36.6312 48.6013 72.6849
|
| 24 |
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S 36.6933 48.6015 72.6358
|
| 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 36.6661 48.4728 72.3568
|
| 30 |
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S 36.6181 48.4816 72.1915
|
| 31 |
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S 36.6718 48.3714 72.2435
|
| 32 |
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S 36.6714 48.2018 72.3362
|
| 33 |
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S 36.5995 48.1343 72.4309
|
| 34 |
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S 36.5693 48.1520 72.4895
|
| 35 |
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S 36.5626 48.2025 72.4815
|
| 36 |
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|
| 37 |
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S 36.6277 48.5096 72.5428
|
| 38 |
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S 36.6958 48.6809 72.5503
|
| 39 |
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S 36.5823 48.6551 72.5139
|
| 40 |
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S 36.5451 48.5066 72.4245
|
| 41 |
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|
| 42 |
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|
| 43 |
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S 36.4653 47.9592 72.5220
|
| 44 |
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S 36.3895 47.9892 72.5721
|
| 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 36.7460 48.7549 73.0207
|
1uwf_ligand_7_619_dock/MCpath30.xyz
ADDED
|
@@ -0,0 +1,47 @@
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|
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|
|
| 1 |
+
45
|
| 2 |
+
45
|
| 3 |
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|
| 4 |
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S 36.3721 48.0440 72.1786
|
| 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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S 36.6396 48.1416 72.3743
|
| 16 |
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|
| 17 |
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|
| 18 |
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S 36.8173 48.3623 72.5167
|
| 19 |
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S 36.6423 48.3538 72.5854
|
| 20 |
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S 36.5499 48.3710 72.6302
|
| 21 |
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S 36.5132 48.3916 72.5797
|
| 22 |
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|
| 23 |
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|
| 24 |
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S 36.5756 48.3240 72.5638
|
| 25 |
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S 36.4948 48.2976 72.5246
|
| 26 |
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S 36.3381 48.4163 72.3940
|
| 27 |
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S 36.3205 48.4733 72.3135
|
| 28 |
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S 36.2887 48.4570 72.3325
|
| 29 |
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S 36.3317 48.4251 72.3589
|
| 30 |
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|
| 31 |
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|
| 32 |
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S 36.5909 48.4193 72.2812
|
| 33 |
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S 36.7192 48.4381 72.3062
|
| 34 |
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S 36.6644 48.4474 72.4524
|
| 35 |
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S 36.6677 48.4637 72.5658
|
| 36 |
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|
| 37 |
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S 36.5450 48.4235 72.9384
|
| 38 |
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S 36.4104 48.4222 73.3377
|
| 39 |
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S 36.5059 48.3785 73.6551
|
| 40 |
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S 36.6231 48.4007 73.7878
|
| 41 |
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S 36.7080 48.2639 73.8540
|
| 42 |
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S 36.7300 48.2659 73.8918
|
| 43 |
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S 36.7597 48.2627 73.9711
|
| 44 |
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S 36.7588 48.3203 74.0368
|
| 45 |
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S 36.7896 48.4634 74.1202
|
| 46 |
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|
| 47 |
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S 36.9277 48.7190 74.2778
|
1uwf_ligand_7_619_dock/MCpath31.xyz
ADDED
|
@@ -0,0 +1,38 @@
|
|
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|
| 1 |
+
36
|
| 2 |
+
36
|
| 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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|
| 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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S 36.4390 48.5380 73.1720
|
| 24 |
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S 36.4400 48.3960 73.3441
|
| 25 |
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|
| 26 |
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S 36.2804 48.4815 73.7354
|
| 27 |
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S 36.2291 48.5710 73.8244
|
| 28 |
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S 36.2716 48.6579 73.8342
|
| 29 |
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S 36.2749 48.6234 73.7538
|
| 30 |
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S 36.2195 48.5775 73.6742
|
| 31 |
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|
| 32 |
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S 36.3504 48.1669 73.4710
|
| 33 |
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S 36.4787 48.1364 73.3589
|
| 34 |
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S 36.6902 48.1761 73.3474
|
| 35 |
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|
| 36 |
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S 36.7693 48.5111 73.4958
|
| 37 |
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|
| 38 |
+
S 36.8632 48.7749 73.4626
|
1uwf_ligand_7_619_dock/MCpath32.xyz
ADDED
|
@@ -0,0 +1,64 @@
|
|
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|
|
|
|
| 1 |
+
62
|
| 2 |
+
62
|
| 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 36.2028 48.1529 71.9695
|
| 9 |
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S 36.2132 48.2515 72.0986
|
| 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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S 36.6001 48.6222 72.3370
|
| 15 |
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|
| 16 |
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|
| 17 |
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S 36.6681 48.3045 72.4297
|
| 18 |
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S 36.6003 48.2766 72.3994
|
| 19 |
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S 36.4858 48.2911 72.3093
|
| 20 |
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S 36.4436 48.3038 72.2306
|
| 21 |
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S 36.3899 48.2596 72.2160
|
| 22 |
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S 36.4541 48.2509 72.2310
|
| 23 |
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S 36.5542 48.3482 72.2691
|
| 24 |
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S 36.5501 48.3810 72.3276
|
| 25 |
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S 36.4984 48.3795 72.4276
|
| 26 |
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S 36.4922 48.4077 72.4631
|
| 27 |
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S 36.4494 48.4351 72.4758
|
| 28 |
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S 36.4279 48.4375 72.4349
|
| 29 |
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S 36.4200 48.3265 72.3836
|
| 30 |
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S 36.2767 48.2993 72.3238
|
| 31 |
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S 36.2483 48.2652 72.3503
|
| 32 |
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S 36.2601 48.3726 72.4254
|
| 33 |
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S 36.2892 48.4379 72.4764
|
| 34 |
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S 36.2959 48.4397 72.4331
|
| 35 |
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S 36.3093 48.4545 72.5103
|
| 36 |
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S 36.4027 48.4956 72.6271
|
| 37 |
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S 36.3713 48.4459 72.8004
|
| 38 |
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S 36.3311 48.3467 73.1225
|
| 39 |
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S 36.3400 48.1551 73.5234
|
| 40 |
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S 36.3098 48.0429 73.9046
|
| 41 |
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S 36.2744 47.8850 74.1882
|
| 42 |
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S 36.2403 47.7278 74.3501
|
| 43 |
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S 36.3125 47.6523 74.4272
|
| 44 |
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S 36.4555 47.6518 74.4394
|
| 45 |
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S 36.6224 47.5953 74.5199
|
| 46 |
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S 36.7246 47.5192 74.5998
|
| 47 |
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S 36.7376 47.4055 74.7186
|
| 48 |
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S 36.7623 47.2225 74.7397
|
| 49 |
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S 36.8240 47.1669 74.6770
|
| 50 |
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S 36.8156 47.2059 74.6183
|
| 51 |
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S 36.6993 47.2281 74.6467
|
| 52 |
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S 36.4848 47.3013 74.6436
|
| 53 |
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S 36.3637 47.3482 74.5951
|
| 54 |
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S 36.3794 47.5500 74.5221
|
| 55 |
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S 36.3844 47.6934 74.4352
|
| 56 |
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S 36.4472 47.9623 74.3484
|
| 57 |
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S 36.5008 48.1547 74.3401
|
| 58 |
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S 36.5888 48.2336 74.2879
|
| 59 |
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S 36.5135 48.1579 74.2192
|
| 60 |
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S 36.4439 48.2198 74.2519
|
| 61 |
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S 36.4935 48.3203 74.3277
|
| 62 |
+
S 36.4930 48.3585 74.3495
|
| 63 |
+
S 36.4404 48.4770 74.3857
|
| 64 |
+
S 36.3904 48.6877 74.4449
|
1uwf_ligand_7_619_dock/MCpath33.xyz
ADDED
|
@@ -0,0 +1,31 @@
|
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| 1 |
+
29
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| 2 |
+
29
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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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|
| 9 |
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|
| 10 |
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|
| 11 |
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S 36.2451 48.2136 72.4217
|
| 12 |
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|
| 13 |
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S 36.2964 48.0683 72.3787
|
| 14 |
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S 36.2949 48.0429 72.2373
|
| 15 |
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S 36.2339 48.0145 72.1554
|
| 16 |
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S 36.1644 48.0214 72.2253
|
| 17 |
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S 36.1173 48.0923 72.4017
|
| 18 |
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S 36.0866 48.1793 72.4743
|
| 19 |
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S 36.2189 48.1818 72.3875
|
| 20 |
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S 36.3176 48.2548 72.2619
|
| 21 |
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S 36.4296 48.4054 72.2225
|
| 22 |
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S 36.5090 48.4241 72.2701
|
| 23 |
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S 36.4923 48.3251 72.3325
|
| 24 |
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S 36.4861 48.3101 72.3852
|
| 25 |
+
S 36.3892 48.4198 72.4610
|
| 26 |
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S 36.3065 48.4669 72.5717
|
| 27 |
+
S 36.2419 48.4226 72.6666
|
| 28 |
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S 36.2072 48.3365 72.7760
|
| 29 |
+
S 36.1916 48.2590 72.9966
|
| 30 |
+
S 36.0769 48.1815 73.1960
|
| 31 |
+
S 35.9512 48.1206 73.3492
|
1uwf_ligand_7_619_dock/MCpath34.xyz
ADDED
|
@@ -0,0 +1,31 @@
|
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|
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|
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|
| 1 |
+
29
|
| 2 |
+
29
|
| 3 |
+
S 36.3355 47.9121 72.1574
|
| 4 |
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S 36.3670 47.9316 72.0663
|
| 5 |
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S 36.3895 47.9979 72.0342
|
| 6 |
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S 36.4480 48.0882 71.9936
|
| 7 |
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S 36.4431 48.1398 71.9564
|
| 8 |
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S 36.4937 48.1812 71.9053
|
| 9 |
+
S 36.5183 48.2020 72.0069
|
| 10 |
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S 36.5014 48.1803 72.1472
|
| 11 |
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S 36.4266 48.2694 72.1823
|
| 12 |
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S 36.3653 48.4024 72.1840
|
| 13 |
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S 36.4272 48.4323 72.2473
|
| 14 |
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S 36.4970 48.4538 72.3897
|
| 15 |
+
S 36.4823 48.4225 72.4509
|
| 16 |
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S 36.4450 48.3819 72.4616
|
| 17 |
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S 36.5314 48.4448 72.4499
|
| 18 |
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S 36.6248 48.3942 72.3391
|
| 19 |
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S 36.6916 48.3365 72.2952
|
| 20 |
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S 36.6903 48.4072 72.3756
|
| 21 |
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S 36.7255 48.5167 72.5091
|
| 22 |
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S 36.6828 48.5291 72.6907
|
| 23 |
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S 36.6144 48.4607 72.9210
|
| 24 |
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S 36.5870 48.2839 73.1272
|
| 25 |
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S 36.4478 48.1815 73.3784
|
| 26 |
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S 36.3161 48.1803 73.5767
|
| 27 |
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S 36.2535 48.1966 73.7360
|
| 28 |
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S 36.2013 48.1754 73.7647
|
| 29 |
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S 36.0579 48.1155 73.7900
|
| 30 |
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S 35.9263 48.0929 73.6984
|
| 31 |
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S 35.8689 48.0880 73.5909
|
1uwf_ligand_7_619_dock/MCpath35.xyz
ADDED
|
@@ -0,0 +1,34 @@
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|
| 1 |
+
32
|
| 2 |
+
32
|
| 3 |
+
S 36.2588 47.8395 72.2205
|
| 4 |
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S 36.3658 47.8777 72.2221
|
| 5 |
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S 36.4393 47.9760 72.2387
|
| 6 |
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|
| 7 |
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S 36.6817 48.0137 72.2932
|
| 8 |
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S 36.6914 48.0397 72.2877
|
| 9 |
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S 36.6146 48.1674 72.2926
|
| 10 |
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S 36.4458 48.2881 72.3347
|
| 11 |
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S 36.3265 48.4228 72.3898
|
| 12 |
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S 36.2676 48.4342 72.4940
|
| 13 |
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S 36.3396 48.3871 72.4796
|
| 14 |
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S 36.4343 48.3779 72.3718
|
| 15 |
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S 36.4677 48.3700 72.1982
|
| 16 |
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S 36.5766 48.3016 72.1125
|
| 17 |
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S 36.6000 48.2895 72.0887
|
| 18 |
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S 36.5430 48.3165 72.0978
|
| 19 |
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S 36.4315 48.4216 72.1219
|
| 20 |
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S 36.3209 48.5329 72.2214
|
| 21 |
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S 36.2602 48.5680 72.3289
|
| 22 |
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S 36.3436 48.5714 72.4961
|
| 23 |
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S 36.4477 48.5303 72.6737
|
| 24 |
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S 36.4376 48.4752 72.8408
|
| 25 |
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S 36.4534 48.4723 73.0473
|
| 26 |
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S 36.4775 48.4980 73.3200
|
| 27 |
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S 36.4844 48.5426 73.6418
|
| 28 |
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S 36.4471 48.5333 73.8519
|
| 29 |
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S 36.3502 48.5497 73.9068
|
| 30 |
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S 36.2533 48.5840 73.8199
|
| 31 |
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S 36.2438 48.5160 73.7118
|
| 32 |
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S 36.1886 48.4337 73.5777
|
| 33 |
+
S 36.1376 48.4051 73.5182
|
| 34 |
+
S 36.0042 48.3918 73.4500
|
1uwf_ligand_7_619_dock/MCpath36.xyz
ADDED
|
@@ -0,0 +1,7 @@
|
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|
|
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|
| 1 |
+
5
|
| 2 |
+
5
|
| 3 |
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|
| 4 |
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|
| 5 |
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S 36.1382 47.8541 72.2394
|
| 6 |
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S 36.1442 47.8493 72.2142
|
| 7 |
+
S 36.0663 47.8760 72.1468
|
1uwf_ligand_7_619_dock/MCpath37.xyz
ADDED
|
@@ -0,0 +1,81 @@
|
|
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|
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|
| 1 |
+
79
|
| 2 |
+
79
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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S 36.5027 47.8561 72.0785
|
| 7 |
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S 36.5060 47.8901 72.0243
|
| 8 |
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S 36.4812 47.9545 71.9470
|
| 9 |
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S 36.4350 47.9766 71.9183
|
| 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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S 36.7021 48.4642 72.6808
|
| 18 |
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S 36.6339 48.4333 72.7358
|
| 19 |
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S 36.5825 48.4143 72.8000
|
| 20 |
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S 36.4101 48.3858 72.8735
|
| 21 |
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|
| 22 |
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S 36.3161 48.3175 72.9112
|
| 23 |
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S 36.3266 48.1953 72.9263
|
| 24 |
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S 36.3546 48.0774 73.0025
|
| 25 |
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|
| 26 |
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S 36.3251 48.0738 73.2265
|
| 27 |
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S 36.4174 48.1583 73.3047
|
| 28 |
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S 36.4327 48.2916 73.3498
|
| 29 |
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S 36.4382 48.3380 73.3853
|
| 30 |
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S 36.3571 48.2675 73.4509
|
| 31 |
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S 36.3309 48.1745 73.4834
|
| 32 |
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S 36.4175 48.1674 73.5004
|
| 33 |
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S 36.5215 48.2696 73.5725
|
| 34 |
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S 36.5670 48.3961 73.5888
|
| 35 |
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S 36.5925 48.4402 73.5903
|
| 36 |
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S 36.6390 48.4453 73.6472
|
| 37 |
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S 36.6295 48.4716 73.8323
|
| 38 |
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S 36.5614 48.5527 74.0904
|
| 39 |
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S 36.4102 48.4634 74.3537
|
| 40 |
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S 36.4137 48.3287 74.5694
|
| 41 |
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S 36.4972 48.3204 74.7504
|
| 42 |
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S 36.4208 48.3197 74.7137
|
| 43 |
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|
| 44 |
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S 36.4231 48.3018 74.6493
|
| 45 |
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|
| 46 |
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S 36.3915 48.1876 74.6862
|
| 47 |
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S 36.3868 48.1584 74.6551
|
| 48 |
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S 36.4454 48.0744 74.7425
|
| 49 |
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S 36.5236 47.9555 74.7978
|
| 50 |
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S 36.5711 47.9941 74.7926
|
| 51 |
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S 36.4706 48.0470 74.8452
|
| 52 |
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S 36.4478 48.1790 75.0449
|
| 53 |
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S 36.4908 48.2268 75.2289
|
| 54 |
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S 36.4281 48.1641 75.3786
|
| 55 |
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S 36.3700 48.1459 75.6094
|
| 56 |
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S 36.4775 48.2797 75.6651
|
| 57 |
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S 36.5776 48.4079 75.5953
|
| 58 |
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S 36.6304 48.4855 75.5942
|
| 59 |
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S 36.7448 48.4677 75.6480
|
| 60 |
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S 36.8222 48.4215 75.6363
|
| 61 |
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S 36.8496 48.3163 75.6825
|
| 62 |
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S 36.8669 48.2088 75.7006
|
| 63 |
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S 36.7990 48.0960 75.6469
|
| 64 |
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S 36.6894 47.9813 75.5485
|
| 65 |
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S 36.5827 47.8244 75.5493
|
| 66 |
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S 36.5298 47.8620 75.5671
|
| 67 |
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S 36.5836 48.1306 75.6091
|
| 68 |
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S 36.6155 48.3992 75.5448
|
| 69 |
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S 36.5724 48.5913 75.6648
|
| 70 |
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S 36.5430 48.6728 75.8642
|
| 71 |
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S 36.4818 48.6184 76.1033
|
| 72 |
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S 36.4581 48.5129 76.5026
|
| 73 |
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S 36.4429 48.3377 76.8744
|
| 74 |
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S 36.3684 48.1313 77.0159
|
| 75 |
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S 36.2245 48.0454 76.9743
|
| 76 |
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S 36.2798 48.1456 76.9313
|
| 77 |
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S 36.3823 48.2541 76.8264
|
| 78 |
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S 36.4233 48.2782 76.7023
|
| 79 |
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S 36.2434 48.4004 76.6174
|
| 80 |
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S 36.0840 48.5860 76.5731
|
| 81 |
+
S 36.0310 48.6309 76.4941
|
1uwf_ligand_7_619_dock/MCpath38.xyz
ADDED
|
@@ -0,0 +1,52 @@
|
|
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|
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|
| 1 |
+
50
|
| 2 |
+
50
|
| 3 |
+
S 36.6173 48.1979 72.3533
|
| 4 |
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S 36.5891 48.1856 72.3110
|
| 5 |
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S 36.5367 48.1380 72.2562
|
| 6 |
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S 36.4730 48.1390 72.1756
|
| 7 |
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S 36.4010 48.1467 72.1279
|
| 8 |
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S 36.4842 48.1559 72.2103
|
| 9 |
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S 36.6657 48.1129 72.3593
|
| 10 |
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S 36.6535 48.2302 72.4636
|
| 11 |
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S 36.5673 48.3683 72.5111
|
| 12 |
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S 36.4759 48.4551 72.5506
|
| 13 |
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S 36.5127 48.4305 72.6475
|
| 14 |
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S 36.5713 48.4272 72.6968
|
| 15 |
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S 36.5411 48.4092 72.7035
|
| 16 |
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S 36.5050 48.3770 72.7222
|
| 17 |
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S 36.6305 48.2946 72.7019
|
| 18 |
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S 36.7573 48.2215 72.7617
|
| 19 |
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S 36.8373 48.3097 72.7547
|
| 20 |
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S 36.7703 48.3842 72.8831
|
| 21 |
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S 36.6742 48.3771 73.0114
|
| 22 |
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S 36.6824 48.3726 73.1233
|
| 23 |
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S 36.6962 48.3837 73.1673
|
| 24 |
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S 36.6582 48.3634 73.1673
|
| 25 |
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S 36.6414 48.2813 73.1161
|
| 26 |
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S 36.6587 48.3224 73.0867
|
| 27 |
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S 36.6243 48.3387 73.1089
|
| 28 |
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S 36.4764 48.3809 73.1887
|
| 29 |
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S 36.3852 48.3127 73.2496
|
| 30 |
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S 36.3762 48.2742 73.3417
|
| 31 |
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S 36.4381 48.2723 73.4633
|
| 32 |
+
S 36.4228 48.2584 73.6003
|
| 33 |
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S 36.4302 48.2468 73.7178
|
| 34 |
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S 36.4784 48.1927 73.8210
|
| 35 |
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S 36.6349 48.0344 73.8807
|
| 36 |
+
S 36.6886 47.8435 73.9614
|
| 37 |
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S 36.6892 47.8919 73.9575
|
| 38 |
+
S 36.7995 48.0625 73.9440
|
| 39 |
+
S 36.7494 48.2592 73.9717
|
| 40 |
+
S 36.6622 48.3035 74.0724
|
| 41 |
+
S 36.5271 48.2572 74.1146
|
| 42 |
+
S 36.3791 48.0911 74.0896
|
| 43 |
+
S 36.2388 48.0831 74.1412
|
| 44 |
+
S 36.2124 48.1514 74.1811
|
| 45 |
+
S 36.0755 48.2183 74.3192
|
| 46 |
+
S 35.9546 48.2584 74.4974
|
| 47 |
+
S 35.7465 48.3498 74.5822
|
| 48 |
+
S 35.5595 48.4571 74.5667
|
| 49 |
+
S 35.4082 48.3545 74.5201
|
| 50 |
+
S 35.3077 48.2903 74.4576
|
| 51 |
+
S 35.2230 48.3376 74.3235
|
| 52 |
+
S 35.0368 48.5531 74.1779
|
1uwf_ligand_7_619_dock/MCpath39.xyz
ADDED
|
@@ -0,0 +1,27 @@
|
|
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|
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|
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|
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|
|
|
|
| 1 |
+
25
|
| 2 |
+
25
|
| 3 |
+
S 36.4782 48.1139 72.0484
|
| 4 |
+
S 36.5069 48.0962 72.1369
|
| 5 |
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S 36.5047 48.0284 72.1875
|
| 6 |
+
S 36.4631 48.0265 72.3155
|
| 7 |
+
S 36.5271 48.0725 72.4584
|
| 8 |
+
S 36.5319 48.1118 72.4757
|
| 9 |
+
S 36.5159 48.1050 72.4773
|
| 10 |
+
S 36.5375 48.0864 72.4624
|
| 11 |
+
S 36.5128 48.1045 72.3689
|
| 12 |
+
S 36.4847 48.1872 72.2981
|
| 13 |
+
S 36.5144 48.2610 72.3052
|
| 14 |
+
S 36.5711 48.2860 72.3441
|
| 15 |
+
S 36.5975 48.3240 72.4234
|
| 16 |
+
S 36.6083 48.2354 72.5065
|
| 17 |
+
S 36.6189 48.2136 72.6274
|
| 18 |
+
S 36.7910 48.2975 72.7059
|
| 19 |
+
S 36.8171 48.4606 72.7162
|
| 20 |
+
S 36.7057 48.5237 72.7395
|
| 21 |
+
S 36.6289 48.5052 72.8167
|
| 22 |
+
S 36.5838 48.4693 72.8517
|
| 23 |
+
S 36.6023 48.4749 72.9543
|
| 24 |
+
S 36.6158 48.4498 73.0776
|
| 25 |
+
S 36.5198 48.5002 73.1948
|
| 26 |
+
S 36.5543 48.6493 73.3263
|
| 27 |
+
S 36.6230 48.7491 73.4674
|
1uwf_ligand_7_619_dock/MCpath4.xyz
ADDED
|
@@ -0,0 +1,46 @@
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
44
|
| 2 |
+
44
|
| 3 |
+
S 36.4133 47.8416 72.0817
|
| 4 |
+
S 36.4753 47.8458 72.0531
|
| 5 |
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S 36.5548 47.7662 72.0588
|
| 6 |
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S 36.4660 47.7597 72.0654
|
| 7 |
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S 36.4134 47.9168 72.1248
|
| 8 |
+
S 36.4311 47.9704 72.1696
|
| 9 |
+
S 36.4515 48.0419 72.2536
|
| 10 |
+
S 36.4682 48.0520 72.2970
|
| 11 |
+
S 36.4920 48.0522 72.3123
|
| 12 |
+
S 36.3965 48.0009 72.3734
|
| 13 |
+
S 36.3285 47.8948 72.4040
|
| 14 |
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S 36.3653 47.9402 72.4779
|
| 15 |
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S 36.5079 48.0655 72.5526
|
| 16 |
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S 36.5471 48.2395 72.5859
|
| 17 |
+
S 36.5824 48.3364 72.6034
|
| 18 |
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S 36.6241 48.3223 72.6180
|
| 19 |
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S 36.5514 48.2510 72.5842
|
| 20 |
+
S 36.5418 48.1888 72.4336
|
| 21 |
+
S 36.4904 48.2415 72.3589
|
| 22 |
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S 36.6074 48.2722 72.4298
|
| 23 |
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S 36.6848 48.3860 72.4945
|
| 24 |
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S 36.7020 48.4827 72.6161
|
| 25 |
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S 36.5688 48.6262 72.6320
|
| 26 |
+
S 36.6182 48.6210 72.7557
|
| 27 |
+
S 36.7397 48.5721 72.9125
|
| 28 |
+
S 36.6515 48.4333 73.0836
|
| 29 |
+
S 36.4256 48.3055 73.2872
|
| 30 |
+
S 36.2893 48.2682 73.4886
|
| 31 |
+
S 36.2051 48.2453 73.7442
|
| 32 |
+
S 36.2013 48.2562 73.9862
|
| 33 |
+
S 36.2823 48.2707 74.2493
|
| 34 |
+
S 36.3888 48.2686 74.3268
|
| 35 |
+
S 36.4342 48.2082 74.4110
|
| 36 |
+
S 36.5266 48.2326 74.5647
|
| 37 |
+
S 36.5850 48.3405 74.7120
|
| 38 |
+
S 36.7437 48.3313 74.7782
|
| 39 |
+
S 36.8951 48.4418 74.7264
|
| 40 |
+
S 36.8149 48.5185 74.5960
|
| 41 |
+
S 36.6989 48.5271 74.4497
|
| 42 |
+
S 36.6885 48.4043 74.3507
|
| 43 |
+
S 36.7243 48.3855 74.2732
|
| 44 |
+
S 36.6083 48.4791 74.2937
|
| 45 |
+
S 36.4748 48.5928 74.3047
|
| 46 |
+
S 36.3401 48.7980 74.4382
|
1uwf_ligand_7_619_dock/MCpath40.xyz
ADDED
|
@@ -0,0 +1,26 @@
|
|
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|
| 1 |
+
24
|
| 2 |
+
24
|
| 3 |
+
S 36.2642 48.0328 72.1408
|
| 4 |
+
S 36.3524 47.9817 72.1242
|
| 5 |
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S 36.3649 47.9281 72.1287
|
| 6 |
+
S 36.3475 47.8865 72.1291
|
| 7 |
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S 36.3203 47.9090 72.1666
|
| 8 |
+
S 36.2970 47.9523 72.2017
|
| 9 |
+
S 36.3325 48.0523 72.2810
|
| 10 |
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S 36.4413 48.1230 72.3937
|
| 11 |
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S 36.3604 48.2054 72.4446
|
| 12 |
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S 36.3417 48.2401 72.3949
|
| 13 |
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S 36.4441 48.2044 72.4797
|
| 14 |
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S 36.5546 48.1591 72.5723
|
| 15 |
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S 36.5319 48.1872 72.5996
|
| 16 |
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S 36.5453 48.2282 72.6578
|
| 17 |
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S 36.5866 48.2710 72.6938
|
| 18 |
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S 36.6049 48.3346 72.6732
|
| 19 |
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S 36.5492 48.4290 72.6509
|
| 20 |
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S 36.4320 48.4130 72.6396
|
| 21 |
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S 36.4553 48.3578 72.5480
|
| 22 |
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S 36.4362 48.4152 72.4311
|
| 23 |
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S 36.3178 48.4444 72.3771
|
| 24 |
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S 36.2896 48.5331 72.3881
|
| 25 |
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S 36.3572 48.6877 72.4133
|
| 26 |
+
S 36.3873 48.7562 72.4183
|
1uwf_ligand_7_619_dock/MCpath41.xyz
ADDED
|
@@ -0,0 +1,78 @@
|
|
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|
|
|
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|
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|
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|
|
|
|
|
| 1 |
+
76
|
| 2 |
+
76
|
| 3 |
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S 36.2966 47.8465 72.0926
|
| 4 |
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S 36.2707 47.8561 72.1513
|
| 5 |
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S 36.2647 47.9052 72.1043
|
| 6 |
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S 36.2776 48.0206 72.0451
|
| 7 |
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S 36.3384 48.1706 72.0202
|
| 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 36.6190 48.0920 72.6698
|
| 14 |
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S 36.6495 48.1374 72.7340
|
| 15 |
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S 36.6009 48.1109 72.8761
|
| 16 |
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S 36.5128 48.0503 72.9770
|
| 17 |
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S 36.4358 48.0900 73.0537
|
| 18 |
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S 36.4627 48.2234 73.1514
|
| 19 |
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S 36.5746 48.4062 73.2259
|
| 20 |
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S 36.6207 48.5981 73.2490
|
| 21 |
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S 36.5329 48.6502 73.3381
|
| 22 |
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S 36.5529 48.5151 73.3118
|
| 23 |
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S 36.5575 48.3999 73.2479
|
| 24 |
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S 36.7271 48.2323 73.1530
|
| 25 |
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S 36.7345 48.1462 73.1281
|
| 26 |
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S 36.7628 48.1986 73.0718
|
| 27 |
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S 36.8195 48.3200 73.0336
|
| 28 |
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S 36.8845 48.4768 73.1093
|
| 29 |
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S 36.7875 48.5044 73.1822
|
| 30 |
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S 36.6724 48.4739 73.1952
|
| 31 |
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S 36.5694 48.5062 73.4464
|
| 32 |
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S 36.5073 48.4976 73.5927
|
| 33 |
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S 36.3373 48.4718 73.6697
|
| 34 |
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S 36.2248 48.4538 73.7626
|
| 35 |
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S 36.2796 48.3153 73.8618
|
| 36 |
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S 36.3839 48.1774 73.9623
|
| 37 |
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S 36.3419 48.0138 74.0611
|
| 38 |
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S 36.2485 47.8923 74.1128
|
| 39 |
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S 36.1680 47.8925 74.2323
|
| 40 |
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S 36.1568 48.1055 74.3441
|
| 41 |
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S 36.1473 48.2597 74.4047
|
| 42 |
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S 36.2224 48.2491 74.5011
|
| 43 |
+
S 36.2369 48.3282 74.6605
|
| 44 |
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S 36.1737 48.3430 74.7762
|
| 45 |
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S 36.1558 48.3091 74.7881
|
| 46 |
+
S 36.1155 48.3295 74.8242
|
| 47 |
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S 36.1262 48.4319 74.9640
|
| 48 |
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S 36.1913 48.4315 75.1829
|
| 49 |
+
S 36.2908 48.3527 75.4058
|
| 50 |
+
S 36.4435 48.2504 75.6534
|
| 51 |
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S 36.3900 48.1837 75.7947
|
| 52 |
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S 36.2937 48.1181 75.7884
|
| 53 |
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S 36.3500 48.1141 75.7934
|
| 54 |
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S 36.3131 48.0368 75.7284
|
| 55 |
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S 36.3211 47.9629 75.5687
|
| 56 |
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S 36.2286 47.9458 75.4294
|
| 57 |
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S 36.2219 48.0271 75.4191
|
| 58 |
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S 36.2835 48.0457 75.5357
|
| 59 |
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S 36.4871 48.1274 75.6149
|
| 60 |
+
S 36.6275 48.2983 75.6003
|
| 61 |
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S 36.7569 48.4894 75.6223
|
| 62 |
+
S 36.8623 48.5512 75.6635
|
| 63 |
+
S 36.9834 48.4715 75.7400
|
| 64 |
+
S 37.1053 48.3183 75.8200
|
| 65 |
+
S 37.0988 48.1506 75.8388
|
| 66 |
+
S 37.0577 48.0035 75.8005
|
| 67 |
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S 37.0848 47.9039 75.7818
|
| 68 |
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S 37.1020 47.9216 75.7264
|
| 69 |
+
S 37.0568 47.9328 75.6811
|
| 70 |
+
S 37.0685 48.0047 75.6656
|
| 71 |
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S 37.2441 48.1322 75.5371
|
| 72 |
+
S 37.4492 48.2566 75.3254
|
| 73 |
+
S 37.8376 48.4042 75.1236
|
| 74 |
+
S 38.1403 48.4837 74.9439
|
| 75 |
+
S 38.2721 48.5443 74.7405
|
| 76 |
+
S 38.4164 48.5644 74.5573
|
| 77 |
+
S 38.7114 48.6454 74.3462
|
| 78 |
+
S 38.9443 48.7672 74.1207
|
1uwf_ligand_7_619_dock/MCpath43.xyz
ADDED
|
@@ -0,0 +1,91 @@
|
|
|
|
|
|
|
|
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|
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|
| 1 |
+
89
|
| 2 |
+
89
|
| 3 |
+
S 36.5165 47.9554 72.1406
|
| 4 |
+
S 36.4670 47.9752 72.1732
|
| 5 |
+
S 36.4227 47.9387 72.2569
|
| 6 |
+
S 36.4023 47.9510 72.3342
|
| 7 |
+
S 36.5030 47.9588 72.4132
|
| 8 |
+
S 36.5646 48.0109 72.4106
|
| 9 |
+
S 36.5119 48.0906 72.3312
|
| 10 |
+
S 36.5131 48.1637 72.2138
|
| 11 |
+
S 36.4948 48.1690 72.1453
|
| 12 |
+
S 36.5314 48.1391 72.2256
|
| 13 |
+
S 36.6398 48.1103 72.3160
|
| 14 |
+
S 36.6537 48.1153 72.3825
|
| 15 |
+
S 36.6867 48.0847 72.4437
|
| 16 |
+
S 36.6172 48.0834 72.5168
|
| 17 |
+
S 36.4678 48.1966 72.5714
|
| 18 |
+
S 36.3162 48.2997 72.5154
|
| 19 |
+
S 36.3203 48.3935 72.4903
|
| 20 |
+
S 36.4016 48.4702 72.4609
|
| 21 |
+
S 36.4902 48.4892 72.3807
|
| 22 |
+
S 36.5570 48.5128 72.3331
|
| 23 |
+
S 36.5889 48.5015 72.3944
|
| 24 |
+
S 36.6139 48.4412 72.5065
|
| 25 |
+
S 36.6450 48.3893 72.5903
|
| 26 |
+
S 36.6155 48.3886 72.7104
|
| 27 |
+
S 36.7071 48.3904 72.8735
|
| 28 |
+
S 36.6828 48.4477 73.0583
|
| 29 |
+
S 36.7353 48.5167 73.3418
|
| 30 |
+
S 36.5986 48.5853 73.6851
|
| 31 |
+
S 36.5178 48.5449 74.0100
|
| 32 |
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S 36.4877 48.5368 74.1214
|
| 33 |
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|
| 34 |
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S 36.5213 48.3975 74.2343
|
| 35 |
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S 36.7181 48.2716 74.3764
|
| 36 |
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S 36.8576 48.2040 74.3883
|
| 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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S 36.4040 48.5007 74.1347
|
| 45 |
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S 36.5590 48.6005 74.2671
|
| 46 |
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S 36.6492 48.6698 74.4179
|
| 47 |
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S 36.6737 48.5574 74.6066
|
| 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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S 36.3932 48.4456 75.2056
|
| 60 |
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S 36.2645 48.5357 75.2496
|
| 61 |
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|
| 62 |
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|
| 63 |
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S 36.2085 48.6479 75.5930
|
| 64 |
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S 36.1304 48.5418 75.7838
|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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|
| 76 |
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|
| 77 |
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|
| 78 |
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S 37.1552 48.5930 76.8463
|
| 79 |
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|
| 80 |
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S 37.4219 48.5869 76.4178
|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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S 38.5749 48.1548 75.5158
|
| 88 |
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|
| 89 |
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S 38.8549 48.4466 74.9359
|
| 90 |
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|
| 91 |
+
S 38.8671 48.8392 74.9035
|
1uwf_ligand_7_619_dock/MCpath44.xyz
ADDED
|
@@ -0,0 +1,32 @@
|
|
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|
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|
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|
| 1 |
+
30
|
| 2 |
+
30
|
| 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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|
| 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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S 35.8442 48.2421 73.7202
|
| 32 |
+
S 35.8517 48.1742 73.6090
|
1uwf_ligand_7_619_dock/MCpath45.xyz
ADDED
|
@@ -0,0 +1,35 @@
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|
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|
| 1 |
+
33
|
| 2 |
+
33
|
| 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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| 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 36.4029 48.0083 73.5046
|
| 34 |
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S 36.4455 48.3757 73.6113
|
| 35 |
+
S 36.5172 48.7372 73.6606
|
1uwf_ligand_7_619_dock/MCpath46.xyz
ADDED
|
@@ -0,0 +1,20 @@
|
|
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|
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|
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|
|
|
|
|
| 1 |
+
18
|
| 2 |
+
18
|
| 3 |
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|
| 4 |
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|
| 5 |
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S 36.3456 47.6944 72.3122
|
| 6 |
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|
| 7 |
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|
| 8 |
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S 36.2759 47.7837 72.1891
|
| 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 36.4510 48.5077 72.4462
|
| 19 |
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S 36.6533 48.6284 72.4512
|
| 20 |
+
S 36.7529 48.7628 72.5534
|
1uwf_ligand_7_619_dock/MCpath47.xyz
ADDED
|
@@ -0,0 +1,31 @@
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|
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|
| 1 |
+
29
|
| 2 |
+
29
|
| 3 |
+
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|
| 4 |
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S 36.1376 47.9623 72.0910
|
| 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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|
| 17 |
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|
| 18 |
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|
| 19 |
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S 36.6534 48.1961 72.4771
|
| 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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S 36.2575 48.3472 72.2622
|
| 28 |
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|
| 29 |
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S 36.1596 48.5901 72.2404
|
| 30 |
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S 36.2610 48.6439 72.3497
|
| 31 |
+
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|
1uwf_ligand_7_619_dock/MCpath48.xyz
ADDED
|
@@ -0,0 +1,20 @@
|
|
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|
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|
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|
| 1 |
+
18
|
| 2 |
+
18
|
| 3 |
+
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|
| 4 |
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S 36.5452 47.9042 72.1021
|
| 5 |
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S 36.5986 47.9003 72.0767
|
| 6 |
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S 36.6294 47.8554 72.0398
|
| 7 |
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S 36.5870 47.9049 72.0661
|
| 8 |
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S 36.5210 47.9421 72.0581
|
| 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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|
| 19 |
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|
| 20 |
+
S 36.2327 48.6892 72.4900
|
1uwf_ligand_7_619_dock/MCpath49.xyz
ADDED
|
@@ -0,0 +1,69 @@
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|
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|
|
|
|
|
| 1 |
+
67
|
| 2 |
+
67
|
| 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 36.2966 48.1072 72.3891
|
| 9 |
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S 36.3863 48.2124 72.3941
|
| 10 |
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S 36.4903 48.3474 72.2972
|
| 11 |
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S 36.4551 48.6095 72.2000
|
| 12 |
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S 36.3977 48.7425 72.1743
|
| 13 |
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S 36.3689 48.6665 72.2469
|
| 14 |
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S 36.4030 48.4905 72.3251
|
| 15 |
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S 36.4767 48.2136 72.3865
|
| 16 |
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S 36.5422 48.0364 72.5625
|
| 17 |
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S 36.6074 48.0394 72.6201
|
| 18 |
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S 36.5417 48.1497 72.6031
|
| 19 |
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S 36.4365 48.3014 72.4942
|
| 20 |
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S 36.3637 48.3987 72.4057
|
| 21 |
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S 36.3812 48.3745 72.3464
|
| 22 |
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S 36.3516 48.2829 72.3884
|
| 23 |
+
S 36.3750 48.2106 72.4512
|
| 24 |
+
S 36.3941 48.1506 72.4854
|
| 25 |
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S 36.3179 48.1147 72.5215
|
| 26 |
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S 36.2329 48.1911 72.6338
|
| 27 |
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S 36.4002 48.2358 72.7038
|
| 28 |
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S 36.5496 48.2577 72.8804
|
| 29 |
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S 36.5703 48.3231 73.1210
|
| 30 |
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S 36.5762 48.3503 73.3570
|
| 31 |
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S 36.6003 48.3896 73.5636
|
| 32 |
+
S 36.6254 48.3811 73.7126
|
| 33 |
+
S 36.7155 48.3216 73.7683
|
| 34 |
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S 36.7266 48.3627 73.8504
|
| 35 |
+
S 36.6316 48.3315 73.9448
|
| 36 |
+
S 36.5119 48.3037 73.8887
|
| 37 |
+
S 36.4552 48.2230 73.8347
|
| 38 |
+
S 36.4852 48.2095 73.8852
|
| 39 |
+
S 36.6493 48.1385 74.0606
|
| 40 |
+
S 36.7002 48.0671 74.3082
|
| 41 |
+
S 36.7337 48.0695 74.5244
|
| 42 |
+
S 36.7501 48.0929 74.7859
|
| 43 |
+
S 36.8067 48.1013 74.9756
|
| 44 |
+
S 36.7032 48.0151 75.1522
|
| 45 |
+
S 36.6130 47.9973 75.3062
|
| 46 |
+
S 36.4689 47.9942 75.4287
|
| 47 |
+
S 36.3085 47.9979 75.4448
|
| 48 |
+
S 36.1765 48.1490 75.3613
|
| 49 |
+
S 36.1514 48.3235 75.1768
|
| 50 |
+
S 36.2607 48.3965 75.0609
|
| 51 |
+
S 36.3257 48.3224 74.9566
|
| 52 |
+
S 36.3709 48.2061 74.9303
|
| 53 |
+
S 36.4320 48.1889 74.9717
|
| 54 |
+
S 36.4362 48.2397 74.9949
|
| 55 |
+
S 36.3909 48.3637 75.0558
|
| 56 |
+
S 36.3506 48.4536 75.0995
|
| 57 |
+
S 36.2735 48.5138 75.2315
|
| 58 |
+
S 36.2080 48.5521 75.3965
|
| 59 |
+
S 36.2316 48.5446 75.6570
|
| 60 |
+
S 36.2436 48.5501 75.9613
|
| 61 |
+
S 36.3162 48.4388 76.2358
|
| 62 |
+
S 36.4051 48.3098 76.5174
|
| 63 |
+
S 36.4819 48.2066 76.7572
|
| 64 |
+
S 36.4802 48.1000 76.8593
|
| 65 |
+
S 36.4553 48.2117 76.7840
|
| 66 |
+
S 36.3799 48.3291 76.7313
|
| 67 |
+
S 36.3611 48.4882 76.8052
|
| 68 |
+
S 36.3460 48.6076 76.9104
|
| 69 |
+
S 36.3803 48.7334 77.0015
|
1uwf_ligand_7_619_dock/MCpath5.xyz
ADDED
|
@@ -0,0 +1,70 @@
|
|
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|
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|
| 1 |
+
68
|
| 2 |
+
68
|
| 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 36.1838 48.0085 72.3940
|
| 10 |
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|
| 11 |
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|
| 12 |
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S 36.5601 48.0919 72.1862
|
| 13 |
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S 36.6378 48.1415 72.1059
|
| 14 |
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S 36.7068 48.2784 72.0459
|
| 15 |
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S 36.7313 48.4118 72.1170
|
| 16 |
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|
| 17 |
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S 36.8288 48.6648 72.5498
|
| 18 |
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S 36.8362 48.7231 72.7742
|
| 19 |
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S 36.7853 48.5834 72.8931
|
| 20 |
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S 36.5810 48.4000 72.9614
|
| 21 |
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|
| 22 |
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S 36.3375 48.1345 72.9949
|
| 23 |
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S 36.2944 48.1957 72.9644
|
| 24 |
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S 36.3259 48.1420 72.9537
|
| 25 |
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S 36.3646 48.1047 72.9916
|
| 26 |
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S 36.3793 48.1912 73.1153
|
| 27 |
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S 36.4524 48.3076 73.2608
|
| 28 |
+
S 36.5122 48.3306 73.3935
|
| 29 |
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S 36.5916 48.2973 73.5207
|
| 30 |
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S 36.7318 48.3161 73.6301
|
| 31 |
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S 36.7409 48.4073 73.6718
|
| 32 |
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S 36.6629 48.4653 73.6529
|
| 33 |
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S 36.6516 48.5071 73.5888
|
| 34 |
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S 36.6687 48.5785 73.5312
|
| 35 |
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S 36.6625 48.5400 73.4931
|
| 36 |
+
S 36.5671 48.5165 73.4740
|
| 37 |
+
S 36.3946 48.4885 73.5092
|
| 38 |
+
S 36.3024 48.4502 73.4667
|
| 39 |
+
S 36.2557 48.2859 73.5027
|
| 40 |
+
S 36.3102 48.3146 73.5523
|
| 41 |
+
S 36.3270 48.4532 73.6653
|
| 42 |
+
S 36.3484 48.5372 73.7075
|
| 43 |
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S 36.3637 48.6519 73.8200
|
| 44 |
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S 36.3256 48.6613 74.0221
|
| 45 |
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S 36.3161 48.4948 74.2193
|
| 46 |
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S 36.3687 48.3975 74.4124
|
| 47 |
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S 36.4059 48.4007 74.6009
|
| 48 |
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S 36.5922 48.4441 74.6869
|
| 49 |
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S 36.7222 48.3196 74.6743
|
| 50 |
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S 36.6826 48.2654 74.6752
|
| 51 |
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S 36.7007 48.1884 74.7763
|
| 52 |
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S 36.6949 48.0503 74.9025
|
| 53 |
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S 36.8286 47.9969 74.9547
|
| 54 |
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S 36.8803 48.0786 75.0458
|
| 55 |
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S 36.7800 48.1769 75.1613
|
| 56 |
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S 36.7351 48.2689 75.2065
|
| 57 |
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S 36.8215 48.3407 75.3387
|
| 58 |
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S 36.6958 48.4711 75.4712
|
| 59 |
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S 36.5806 48.6135 75.6177
|
| 60 |
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S 36.5578 48.6427 75.7859
|
| 61 |
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S 36.5871 48.5800 75.7370
|
| 62 |
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S 36.6111 48.5438 75.6654
|
| 63 |
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S 36.6826 48.4959 75.6645
|
| 64 |
+
S 36.6576 48.3960 75.6586
|
| 65 |
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S 36.6547 48.2178 75.6448
|
| 66 |
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S 36.7922 48.2222 75.5876
|
| 67 |
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S 36.7685 48.2788 75.5038
|
| 68 |
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S 36.7512 48.4046 75.4656
|
| 69 |
+
S 36.7137 48.6612 75.4309
|
| 70 |
+
S 36.5442 48.8931 75.4300
|
1uwf_ligand_7_619_dock/MCpath50.xyz
ADDED
|
@@ -0,0 +1,13 @@
|
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|
|
|
|
| 1 |
+
11
|
| 2 |
+
11
|
| 3 |
+
S 36.4321 48.1652 72.2100
|
| 4 |
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S 36.4626 48.1615 72.2043
|
| 5 |
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S 36.4547 48.1772 72.1043
|
| 6 |
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S 36.3954 48.2094 72.0541
|
| 7 |
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S 36.2929 48.2773 72.0650
|
| 8 |
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S 36.2631 48.2287 72.1341
|
| 9 |
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S 36.3171 48.2535 72.1663
|
| 10 |
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S 36.4475 48.3122 72.2362
|
| 11 |
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S 36.4336 48.4315 72.2812
|
| 12 |
+
S 36.3329 48.6210 72.3045
|
| 13 |
+
S 36.3549 48.7457 72.2367
|
1uwf_ligand_7_619_dock/MCpath6.xyz
ADDED
|
@@ -0,0 +1,25 @@
|
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|
| 1 |
+
23
|
| 2 |
+
23
|
| 3 |
+
S 36.5453 48.0845 71.9676
|
| 4 |
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S 36.6592 48.0588 71.9161
|
| 5 |
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S 36.6710 48.1146 71.8737
|
| 6 |
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S 36.6499 48.1920 71.9566
|
| 7 |
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S 36.6616 48.2454 72.0353
|
| 8 |
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S 36.6180 48.2715 72.0717
|
| 9 |
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S 36.4960 48.2560 72.0343
|
| 10 |
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S 36.4049 48.2789 72.0064
|
| 11 |
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S 36.3789 48.3236 71.9956
|
| 12 |
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S 36.4113 48.3083 72.1313
|
| 13 |
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S 36.4991 48.2545 72.2747
|
| 14 |
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S 36.5785 48.2257 72.4810
|
| 15 |
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S 36.6842 48.2720 72.5516
|
| 16 |
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S 36.6661 48.3486 72.5415
|
| 17 |
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|
| 18 |
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S 36.6408 48.4439 72.4766
|
| 19 |
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S 36.6637 48.3456 72.4072
|
| 20 |
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S 36.6059 48.2231 72.3859
|
| 21 |
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S 36.5898 48.2238 72.3428
|
| 22 |
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|
| 23 |
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S 36.6085 48.4269 72.3644
|
| 24 |
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S 36.6381 48.6017 72.3843
|
| 25 |
+
S 36.6627 48.7105 72.3811
|
1uwf_ligand_7_619_dock/MCpath7.xyz
ADDED
|
@@ -0,0 +1,26 @@
|
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|
| 1 |
+
24
|
| 2 |
+
24
|
| 3 |
+
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|
| 4 |
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S 36.1361 47.7467 72.1543
|
| 5 |
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S 36.1405 47.8241 72.1702
|
| 6 |
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S 36.1868 47.9133 72.1261
|
| 7 |
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S 36.1687 48.0296 72.1290
|
| 8 |
+
S 36.1399 48.0473 72.1888
|
| 9 |
+
S 36.1241 48.0259 72.1704
|
| 10 |
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S 36.0833 48.0472 72.1459
|
| 11 |
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S 36.1363 48.0709 72.1574
|
| 12 |
+
S 36.3211 48.0302 72.2112
|
| 13 |
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S 36.4994 48.0740 72.2514
|
| 14 |
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S 36.5699 48.1211 72.2751
|
| 15 |
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S 36.5382 48.2986 72.2957
|
| 16 |
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S 36.5385 48.3764 72.2734
|
| 17 |
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S 36.5557 48.3875 72.2661
|
| 18 |
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S 36.5813 48.3939 72.2876
|
| 19 |
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S 36.5264 48.4223 72.2946
|
| 20 |
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S 36.4744 48.4565 72.3324
|
| 21 |
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S 36.4138 48.4358 72.4372
|
| 22 |
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S 36.4877 48.4188 72.5524
|
| 23 |
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S 36.4804 48.4518 72.6593
|
| 24 |
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S 36.4015 48.4315 72.6835
|
| 25 |
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S 36.3629 48.5704 72.6067
|
| 26 |
+
S 36.4292 48.7087 72.4738
|
1uwf_ligand_7_619_dock/MCpath8.xyz
ADDED
|
@@ -0,0 +1,61 @@
|
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|
| 1 |
+
59
|
| 2 |
+
59
|
| 3 |
+
S 36.3927 48.1270 72.0223
|
| 4 |
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S 36.3501 48.1855 72.0122
|
| 5 |
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S 36.3094 48.1857 72.1384
|
| 6 |
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S 36.3808 48.2045 72.2936
|
| 7 |
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S 36.4101 48.2148 72.3647
|
| 8 |
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S 36.3654 48.1664 72.3676
|
| 9 |
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S 36.3086 48.1523 72.3354
|
| 10 |
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S 36.3605 48.1626 72.2837
|
| 11 |
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S 36.4315 48.1734 72.2496
|
| 12 |
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S 36.4784 48.2187 72.2006
|
| 13 |
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S 36.4918 48.2094 72.1307
|
| 14 |
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S 36.5881 48.1473 72.2133
|
| 15 |
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S 36.6495 48.2589 72.3577
|
| 16 |
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S 36.6587 48.3721 72.4515
|
| 17 |
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S 36.7906 48.4668 72.4726
|
| 18 |
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S 36.8728 48.4165 72.4826
|
| 19 |
+
S 36.9451 48.3369 72.4681
|
| 20 |
+
S 36.9537 48.2399 72.4798
|
| 21 |
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S 36.9120 48.2057 72.4337
|
| 22 |
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S 36.8650 48.2090 72.4037
|
| 23 |
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S 36.7322 48.3280 72.3107
|
| 24 |
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S 36.7045 48.4624 72.3313
|
| 25 |
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S 36.6540 48.4552 72.3705
|
| 26 |
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S 36.5266 48.3960 72.4315
|
| 27 |
+
S 36.4604 48.3595 72.5535
|
| 28 |
+
S 36.3534 48.3401 72.7667
|
| 29 |
+
S 36.3957 48.3417 73.0560
|
| 30 |
+
S 36.5342 48.4095 73.3233
|
| 31 |
+
S 36.5360 48.4029 73.6209
|
| 32 |
+
S 36.5139 48.3240 73.8379
|
| 33 |
+
S 36.5540 48.1269 73.9209
|
| 34 |
+
S 36.6648 48.0102 74.0489
|
| 35 |
+
S 36.6002 47.9886 74.1299
|
| 36 |
+
S 36.5708 47.9664 74.0936
|
| 37 |
+
S 36.6548 48.0894 73.9969
|
| 38 |
+
S 36.6020 48.2390 74.0440
|
| 39 |
+
S 36.5167 48.3331 74.0617
|
| 40 |
+
S 36.5106 48.3606 74.0948
|
| 41 |
+
S 36.6023 48.3946 74.0397
|
| 42 |
+
S 36.5718 48.3812 73.9501
|
| 43 |
+
S 36.5120 48.4952 73.9272
|
| 44 |
+
S 36.5334 48.6157 73.9981
|
| 45 |
+
S 36.4561 48.6487 74.1383
|
| 46 |
+
S 36.5254 48.6123 74.1683
|
| 47 |
+
S 36.5385 48.5661 74.1763
|
| 48 |
+
S 36.4759 48.4384 74.2376
|
| 49 |
+
S 36.3845 48.4132 74.3710
|
| 50 |
+
S 36.3794 48.4331 74.5508
|
| 51 |
+
S 36.3906 48.4298 74.6554
|
| 52 |
+
S 36.4253 48.3963 74.7259
|
| 53 |
+
S 36.5185 48.2740 74.7631
|
| 54 |
+
S 36.6100 48.2183 74.7460
|
| 55 |
+
S 36.6558 48.2894 74.7013
|
| 56 |
+
S 36.5227 48.3163 74.6244
|
| 57 |
+
S 36.4077 48.3696 74.6764
|
| 58 |
+
S 36.3752 48.4218 74.6946
|
| 59 |
+
S 36.3114 48.4910 74.8467
|
| 60 |
+
S 36.3163 48.5614 75.0524
|
| 61 |
+
S 36.4236 48.6923 75.3630
|
1uwf_ligand_7_619_dock/MCpath9.xyz
ADDED
|
@@ -0,0 +1,26 @@
|
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|
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|
| 1 |
+
24
|
| 2 |
+
24
|
| 3 |
+
S 36.2346 47.8418 72.0168
|
| 4 |
+
S 36.2694 47.8055 72.0233
|
| 5 |
+
S 36.3549 47.8452 72.1490
|
| 6 |
+
S 36.4027 47.9395 72.3556
|
| 7 |
+
S 36.3454 48.0764 72.4579
|
| 8 |
+
S 36.2022 48.1288 72.4676
|
| 9 |
+
S 36.2230 48.1716 72.3981
|
| 10 |
+
S 36.3130 48.2313 72.3699
|
| 11 |
+
S 36.4681 48.2498 72.3004
|
| 12 |
+
S 36.5460 48.2330 72.2613
|
| 13 |
+
S 36.5765 48.1982 72.2263
|
| 14 |
+
S 36.6048 48.0434 72.1719
|
| 15 |
+
S 36.6120 48.0493 72.0802
|
| 16 |
+
S 36.6025 48.1372 72.0770
|
| 17 |
+
S 36.5590 48.0996 72.1777
|
| 18 |
+
S 36.5584 48.0360 72.2873
|
| 19 |
+
S 36.5355 47.9627 72.4199
|
| 20 |
+
S 36.4454 47.9927 72.5432
|
| 21 |
+
S 36.4561 48.0231 72.5639
|
| 22 |
+
S 36.5516 48.1386 72.5391
|
| 23 |
+
S 36.6665 48.3533 72.4812
|
| 24 |
+
S 36.7188 48.5339 72.3704
|
| 25 |
+
S 36.7491 48.6252 72.3816
|
| 26 |
+
S 36.6863 48.7216 72.4637
|