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- .gitattributes +50 -0
- 2yki_ligand_17AAG_218_dock1/MCpath1.xyz +115 -0
- 2yki_ligand_17AAG_218_dock1/MCpath10.xyz +116 -0
- 2yki_ligand_17AAG_218_dock1/MCpath11.xyz +80 -0
- 2yki_ligand_17AAG_218_dock1/MCpath12.xyz +256 -0
- 2yki_ligand_17AAG_218_dock1/MCpath13.xyz +85 -0
- 2yki_ligand_17AAG_218_dock1/MCpath14.xyz +93 -0
- 2yki_ligand_17AAG_218_dock1/MCpath15.xyz +180 -0
- 2yki_ligand_17AAG_218_dock1/MCpath16.xyz +181 -0
- 2yki_ligand_17AAG_218_dock1/MCpath17.xyz +301 -0
- 2yki_ligand_17AAG_218_dock1/MCpath18.xyz +139 -0
- 2yki_ligand_17AAG_218_dock1/MCpath19.xyz +134 -0
- 2yki_ligand_17AAG_218_dock1/MCpath2.xyz +149 -0
- 2yki_ligand_17AAG_218_dock1/MCpath20.xyz +157 -0
- 2yki_ligand_17AAG_218_dock1/MCpath21.xyz +108 -0
- 2yki_ligand_17AAG_218_dock1/MCpath22.xyz +128 -0
- 2yki_ligand_17AAG_218_dock1/MCpath23.xyz +105 -0
- 2yki_ligand_17AAG_218_dock1/MCpath24.xyz +271 -0
- 2yki_ligand_17AAG_218_dock1/MCpath25.xyz +222 -0
- 2yki_ligand_17AAG_218_dock1/MCpath26.xyz +38 -0
- 2yki_ligand_17AAG_218_dock1/MCpath27.xyz +108 -0
- 2yki_ligand_17AAG_218_dock1/MCpath28.xyz +109 -0
- 2yki_ligand_17AAG_218_dock1/MCpath29.xyz +47 -0
- 2yki_ligand_17AAG_218_dock1/MCpath3.xyz +60 -0
- 2yki_ligand_17AAG_218_dock1/MCpath30.xyz +82 -0
- 2yki_ligand_17AAG_218_dock1/MCpath31.xyz +176 -0
- 2yki_ligand_17AAG_218_dock1/MCpath32.xyz +134 -0
- 2yki_ligand_17AAG_218_dock1/MCpath33.xyz +128 -0
- 2yki_ligand_17AAG_218_dock1/MCpath34.xyz +96 -0
- 2yki_ligand_17AAG_218_dock1/MCpath35.xyz +118 -0
- 2yki_ligand_17AAG_218_dock1/MCpath36.xyz +154 -0
- 2yki_ligand_17AAG_218_dock1/MCpath37.xyz +58 -0
- 2yki_ligand_17AAG_218_dock1/MCpath38.xyz +164 -0
- 2yki_ligand_17AAG_218_dock1/MCpath39.xyz +120 -0
- 2yki_ligand_17AAG_218_dock1/MCpath4.xyz +159 -0
- 2yki_ligand_17AAG_218_dock1/MCpath40.xyz +263 -0
- 2yki_ligand_17AAG_218_dock1/MCpath41.xyz +167 -0
- 2yki_ligand_17AAG_218_dock1/MCpath42.xyz +268 -0
- 2yki_ligand_17AAG_218_dock1/MCpath43.xyz +112 -0
- 2yki_ligand_17AAG_218_dock1/MCpath44.xyz +125 -0
- 2yki_ligand_17AAG_218_dock1/MCpath45.xyz +111 -0
- 2yki_ligand_17AAG_218_dock1/MCpath46.xyz +72 -0
- 2yki_ligand_17AAG_218_dock1/MCpath47.xyz +146 -0
- 2yki_ligand_17AAG_218_dock1/MCpath48.xyz +119 -0
- 2yki_ligand_17AAG_218_dock1/MCpath49.xyz +88 -0
- 2yki_ligand_17AAG_218_dock1/MCpath5.xyz +63 -0
- 2yki_ligand_17AAG_218_dock1/MCpath50.xyz +111 -0
- 2yki_ligand_17AAG_218_dock1/MCpath6.xyz +99 -0
- 2yki_ligand_17AAG_218_dock1/MCpath7.xyz +242 -0
- 2yki_ligand_17AAG_218_dock1/MCpath8.xyz +135 -0
.gitattributes
CHANGED
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| 1035 |
2xbv_ligand_native_386/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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2xbv_ligand_native_386/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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2xbv_ligand_native_386/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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| 1035 |
2xbv_ligand_native_386/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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| 1036 |
2xbv_ligand_native_386/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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| 1037 |
2xbv_ligand_native_386/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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| 1038 |
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2yki_ligand_17AAG_218_dock1/Pro_lig1.h5md filter=lfs diff=lfs merge=lfs -text
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| 1039 |
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2yki_ligand_17AAG_218_dock1/Pro_lig10.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig11.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig12.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig13.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig14.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig15.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig16.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig17.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig18.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig19.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig2.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig20.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig21.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig22.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig23.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig24.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig25.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig26.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig27.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig28.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig29.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig3.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig30.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig31.h5md filter=lfs diff=lfs merge=lfs -text
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| 1063 |
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2yki_ligand_17AAG_218_dock1/Pro_lig32.h5md filter=lfs diff=lfs merge=lfs -text
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| 1064 |
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2yki_ligand_17AAG_218_dock1/Pro_lig33.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig34.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig35.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig36.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig37.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig38.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig39.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig4.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/Pro_lig40.h5md filter=lfs diff=lfs merge=lfs -text
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| 1073 |
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2yki_ligand_17AAG_218_dock1/Pro_lig41.h5md filter=lfs diff=lfs merge=lfs -text
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| 1074 |
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2yki_ligand_17AAG_218_dock1/Pro_lig42.h5md filter=lfs diff=lfs merge=lfs -text
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| 1075 |
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2yki_ligand_17AAG_218_dock1/Pro_lig43.h5md filter=lfs diff=lfs merge=lfs -text
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| 1076 |
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2yki_ligand_17AAG_218_dock1/Pro_lig44.h5md filter=lfs diff=lfs merge=lfs -text
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| 1077 |
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2yki_ligand_17AAG_218_dock1/Pro_lig45.h5md filter=lfs diff=lfs merge=lfs -text
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| 1078 |
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2yki_ligand_17AAG_218_dock1/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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| 1079 |
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2yki_ligand_17AAG_218_dock1/Pro_lig47.h5md filter=lfs diff=lfs merge=lfs -text
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| 1080 |
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2yki_ligand_17AAG_218_dock1/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
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| 1081 |
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2yki_ligand_17AAG_218_dock1/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
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| 1082 |
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2yki_ligand_17AAG_218_dock1/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
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| 1083 |
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2yki_ligand_17AAG_218_dock1/Pro_lig50.h5md filter=lfs diff=lfs merge=lfs -text
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| 1084 |
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2yki_ligand_17AAG_218_dock1/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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| 1085 |
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2yki_ligand_17AAG_218_dock1/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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| 1086 |
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2yki_ligand_17AAG_218_dock1/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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| 1087 |
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2yki_ligand_17AAG_218_dock1/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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2yki_ligand_17AAG_218_dock1/MCpath1.xyz
ADDED
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@@ -0,0 +1,115 @@
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|
| 92 |
+
S 53.1262 38.2429 48.2210
|
| 93 |
+
S 53.3929 38.1372 48.1899
|
| 94 |
+
S 53.6243 38.0200 48.1589
|
| 95 |
+
S 53.8822 37.8724 48.1038
|
| 96 |
+
S 54.1411 37.6866 48.1066
|
| 97 |
+
S 54.3040 37.5623 48.1086
|
| 98 |
+
S 54.4051 37.4944 48.1229
|
| 99 |
+
S 54.4331 37.4606 48.0651
|
| 100 |
+
S 54.3732 37.4550 48.0440
|
| 101 |
+
S 54.2629 37.4610 47.9992
|
| 102 |
+
S 54.2393 37.4892 47.9414
|
| 103 |
+
S 54.3039 37.5028 47.9390
|
| 104 |
+
S 54.3813 37.4734 47.9587
|
| 105 |
+
S 54.4287 37.4066 47.9715
|
| 106 |
+
S 54.4807 37.3185 48.0437
|
| 107 |
+
S 54.4358 37.2325 48.1448
|
| 108 |
+
S 54.4052 37.1287 48.2476
|
| 109 |
+
S 54.4054 36.9955 48.3346
|
| 110 |
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S 54.4274 36.8419 48.4170
|
| 111 |
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S 54.4243 36.7027 48.4486
|
| 112 |
+
S 54.4252 36.6286 48.4457
|
| 113 |
+
S 54.4480 36.4873 48.4075
|
| 114 |
+
S 54.5010 36.2407 48.3752
|
| 115 |
+
S 54.6059 36.0461 48.3327
|
2yki_ligand_17AAG_218_dock1/MCpath10.xyz
ADDED
|
@@ -0,0 +1,116 @@
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|
| 1 |
+
114
|
| 2 |
+
114
|
| 3 |
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S 53.1258 40.1897 48.0471
|
| 4 |
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S 53.1670 40.1985 48.0971
|
| 5 |
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S 53.2356 40.1855 48.1764
|
| 6 |
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S 53.3037 40.1612 48.2155
|
| 7 |
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S 53.3845 40.1486 48.2392
|
| 8 |
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S 53.4645 40.1799 48.2839
|
| 9 |
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S 53.5281 40.2269 48.3390
|
| 10 |
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S 53.5720 40.2370 48.3346
|
| 11 |
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S 53.6011 40.2706 48.3036
|
| 12 |
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S 53.5773 40.3093 48.3255
|
| 13 |
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S 53.4410 40.4243 48.3560
|
| 14 |
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S 53.3120 40.4866 48.4050
|
| 15 |
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S 53.2520 40.5451 48.3906
|
| 16 |
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S 53.2652 40.5538 48.4174
|
| 17 |
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S 53.2526 40.5148 48.4485
|
| 18 |
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S 53.2901 40.4101 48.4256
|
| 19 |
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S 53.3515 40.2963 48.3170
|
| 20 |
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S 53.4174 40.1701 48.2116
|
| 21 |
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S 53.5521 40.1264 48.2298
|
| 22 |
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S 53.6688 40.1313 48.2376
|
| 23 |
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S 53.7225 40.2360 48.2850
|
| 24 |
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S 53.7276 40.4140 48.3245
|
| 25 |
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S 53.7225 40.5571 48.2727
|
| 26 |
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S 53.7515 40.6723 48.2217
|
| 27 |
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S 53.7727 40.7511 48.2765
|
| 28 |
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S 53.7210 40.7214 48.3325
|
| 29 |
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S 53.5807 40.6345 48.3438
|
| 30 |
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S 53.4810 40.5743 48.3050
|
| 31 |
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S 53.4618 40.5201 48.2645
|
| 32 |
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S 53.4901 40.4736 48.2259
|
| 33 |
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S 53.4930 40.4657 48.1452
|
| 34 |
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S 53.5122 40.5081 48.0951
|
| 35 |
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S 53.5594 40.6138 48.0973
|
| 36 |
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S 53.5074 40.6497 48.0882
|
| 37 |
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S 53.3816 40.6832 48.0409
|
| 38 |
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S 53.2678 40.6585 48.0513
|
| 39 |
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S 53.2614 40.7032 48.1422
|
| 40 |
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S 53.2715 40.7154 48.2776
|
| 41 |
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S 53.2254 40.6606 48.4344
|
| 42 |
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S 53.1540 40.6413 48.5597
|
| 43 |
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S 53.0660 40.6741 48.6519
|
| 44 |
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S 52.9576 40.6729 48.6975
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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S 53.2613 40.0676 48.5024
|
| 52 |
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S 53.3654 39.7892 48.4693
|
| 53 |
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S 53.4409 39.3401 48.3931
|
| 54 |
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S 53.5392 38.7850 48.3172
|
| 55 |
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|
| 56 |
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|
| 57 |
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S 53.8282 37.8864 48.2244
|
| 58 |
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|
| 59 |
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|
| 60 |
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S 53.9333 38.0650 48.0737
|
| 61 |
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S 54.0344 38.1899 47.8572
|
| 62 |
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S 54.2246 38.2962 47.6173
|
| 63 |
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S 54.3194 38.3521 47.3681
|
| 64 |
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S 54.3143 38.4291 47.1594
|
| 65 |
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S 54.3491 38.4418 47.0226
|
| 66 |
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S 54.4115 38.4690 47.0054
|
| 67 |
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S 54.4629 38.5721 46.9807
|
| 68 |
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S 54.5169 38.6611 46.9581
|
| 69 |
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S 54.5422 38.6978 46.9511
|
| 70 |
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S 54.5162 38.7544 46.8589
|
| 71 |
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S 54.4584 38.7889 46.7723
|
| 72 |
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|
| 73 |
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|
| 74 |
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S 54.3414 38.8755 46.4476
|
| 75 |
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S 54.3587 38.8746 46.3112
|
| 76 |
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S 54.4213 38.7864 46.2212
|
| 77 |
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S 54.3963 38.6614 46.1770
|
| 78 |
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S 54.3908 38.5351 46.1709
|
| 79 |
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S 54.4779 38.4553 46.1740
|
| 80 |
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S 54.5843 38.4092 46.2155
|
| 81 |
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S 54.6869 38.3647 46.2795
|
| 82 |
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S 54.7489 38.2823 46.3581
|
| 83 |
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S 54.7442 38.1628 46.3940
|
| 84 |
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S 54.8344 38.0202 46.4774
|
| 85 |
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S 54.9041 37.8524 46.5537
|
| 86 |
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S 54.9233 37.6531 46.5349
|
| 87 |
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S 55.0096 37.3693 46.5636
|
| 88 |
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S 55.1781 37.1158 46.5981
|
| 89 |
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S 55.3556 36.9926 46.6236
|
| 90 |
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S 55.4367 36.8576 46.5910
|
| 91 |
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S 55.4066 36.7140 46.4927
|
| 92 |
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|
| 93 |
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S 55.4029 36.5254 46.4645
|
| 94 |
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S 55.4855 36.4992 46.4501
|
| 95 |
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|
| 96 |
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|
| 97 |
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|
| 98 |
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|
| 99 |
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|
| 100 |
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|
| 101 |
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S 55.7259 36.5220 46.1144
|
| 102 |
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S 55.7816 36.4925 46.0936
|
| 103 |
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S 55.8331 36.4331 46.1622
|
| 104 |
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S 55.9403 36.4222 46.2445
|
| 105 |
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|
| 106 |
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S 56.1836 36.4118 46.3062
|
| 107 |
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S 56.2552 36.3520 46.2787
|
| 108 |
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S 56.3842 36.2886 46.3010
|
| 109 |
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S 56.4739 36.1883 46.3692
|
| 110 |
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S 56.5163 36.0881 46.3798
|
| 111 |
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|
| 112 |
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|
| 113 |
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|
| 114 |
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|
| 115 |
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|
| 116 |
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S 56.6746 35.0901 46.2370
|
2yki_ligand_17AAG_218_dock1/MCpath11.xyz
ADDED
|
@@ -0,0 +1,80 @@
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|
| 1 |
+
78
|
| 2 |
+
78
|
| 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 53.2228 39.9499 48.3520
|
| 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 53.3130 39.7264 48.6196
|
| 19 |
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S 53.4061 39.6848 48.7284
|
| 20 |
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|
| 21 |
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|
| 22 |
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S 53.4999 39.4657 48.8999
|
| 23 |
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|
| 24 |
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S 53.5323 39.4885 48.7299
|
| 25 |
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S 53.5565 39.4628 48.5542
|
| 26 |
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|
| 27 |
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S 53.6192 39.3951 48.2392
|
| 28 |
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|
| 29 |
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S 53.6297 39.2956 48.0961
|
| 30 |
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S 53.5628 39.3043 48.0092
|
| 31 |
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|
| 32 |
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|
| 33 |
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S 53.4498 39.3789 47.9592
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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S 53.3014 39.1732 47.2673
|
| 38 |
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S 53.4077 39.0375 46.9589
|
| 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 53.8766 38.7720 46.9452
|
| 45 |
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S 53.9903 38.6976 47.0616
|
| 46 |
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S 54.1344 38.6141 47.2100
|
| 47 |
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S 54.3192 38.5845 47.2459
|
| 48 |
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S 54.4276 38.5267 47.1989
|
| 49 |
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S 54.4710 38.4258 47.2318
|
| 50 |
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S 54.4284 38.3035 47.2519
|
| 51 |
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S 54.4305 38.1660 47.2105
|
| 52 |
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S 54.5609 37.9919 47.2824
|
| 53 |
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S 54.6558 37.8594 47.3581
|
| 54 |
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S 54.6694 37.7329 47.2804
|
| 55 |
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S 54.7012 37.5916 47.0862
|
| 56 |
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S 54.8337 37.3784 46.9923
|
| 57 |
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S 55.0015 37.2273 46.9444
|
| 58 |
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S 55.0904 37.1798 46.9396
|
| 59 |
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S 55.1620 37.2523 47.0128
|
| 60 |
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S 55.2251 37.3170 47.1316
|
| 61 |
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S 55.3163 37.3076 47.2207
|
| 62 |
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S 55.4250 37.2955 47.2659
|
| 63 |
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S 55.5045 37.3226 47.2742
|
| 64 |
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S 55.5233 37.2608 47.2752
|
| 65 |
+
S 55.5334 37.1545 47.2087
|
| 66 |
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S 55.5864 37.0224 47.1107
|
| 67 |
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S 55.6026 36.8732 47.0026
|
| 68 |
+
S 55.6197 36.6913 46.9001
|
| 69 |
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S 55.6713 36.5128 46.7485
|
| 70 |
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S 55.7060 36.3718 46.6157
|
| 71 |
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S 55.7499 36.2042 46.5450
|
| 72 |
+
S 55.7917 36.0238 46.5172
|
| 73 |
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S 55.8315 35.8509 46.5415
|
| 74 |
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S 55.8780 35.7015 46.5134
|
| 75 |
+
S 55.9293 35.5430 46.3988
|
| 76 |
+
S 56.0359 35.4526 46.3125
|
| 77 |
+
S 56.1083 35.3290 46.2975
|
| 78 |
+
S 56.2278 35.2327 46.3015
|
| 79 |
+
S 56.2692 35.1816 46.3120
|
| 80 |
+
S 56.3069 35.1405 46.4396
|
2yki_ligand_17AAG_218_dock1/MCpath12.xyz
ADDED
|
@@ -0,0 +1,256 @@
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| 1 |
+
254
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| 2 |
+
254
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| 3 |
+
S 52.8964 40.0890 47.8645
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| 4 |
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S 52.8756 40.1569 47.8680
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| 5 |
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| 12 |
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S 53.2937 40.1805 47.6481
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| 14 |
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S 53.5253 40.4315 47.6506
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| 19 |
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| 20 |
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S 53.7086 40.5381 47.8050
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| 21 |
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S 53.6175 40.5219 47.7225
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| 22 |
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| 23 |
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S 53.4761 40.4535 47.8510
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| 24 |
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| 25 |
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| 26 |
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S 53.5435 40.3201 47.7589
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| 27 |
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S 53.6103 40.2989 47.6207
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| 28 |
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S 53.5972 40.2784 47.5550
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| 29 |
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S 53.5628 40.2797 47.4910
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| 30 |
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| 31 |
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| 32 |
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S 53.5179 40.2592 47.3943
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| 33 |
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S 53.5631 40.3923 47.3271
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| 37 |
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| 38 |
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| 39 |
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S 53.2802 40.8872 47.2040
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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S 53.3190 42.3709 47.6933
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| 48 |
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S 53.1784 42.4200 47.7909
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| 49 |
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S 53.0725 42.4637 47.8746
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| 50 |
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S 52.9891 42.5242 47.8633
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| 51 |
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S 52.8413 42.5643 47.8667
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| 52 |
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S 52.6405 42.5469 47.8462
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| 53 |
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S 52.4620 42.6017 47.8448
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| 54 |
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S 52.3074 42.6331 47.8608
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S 52.0916 42.6200 47.8496
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| 56 |
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| 58 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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S 51.7242 42.1891 48.7126
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| 67 |
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S 51.6674 42.2163 48.6567
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| 68 |
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| 69 |
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S 51.4601 42.2242 48.5926
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| 70 |
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S 51.3877 42.2326 48.5964
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| 71 |
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S 51.3371 42.2603 48.6744
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| 72 |
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S 51.3424 42.3108 48.7447
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| 73 |
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S 51.2497 42.3124 48.8036
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| 74 |
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| 75 |
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S 51.0509 42.3471 48.8250
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| 76 |
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S 51.0398 42.3468 48.7947
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| 77 |
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S 51.0778 42.3593 48.7462
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| 78 |
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S 51.1215 42.3738 48.6534
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S 51.2163 42.3983 48.5524
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| 80 |
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S 51.3414 42.3978 48.4641
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| 81 |
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S 51.4665 42.3848 48.4591
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| 82 |
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S 51.5980 42.3069 48.4647
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| 83 |
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S 51.6715 42.2166 48.5112
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S 51.6517 42.1862 48.5444
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S 51.5920 42.1567 48.5837
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| 86 |
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S 51.5374 42.2008 48.5947
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| 87 |
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S 51.5032 42.2504 48.6140
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| 88 |
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S 51.4531 42.3271 48.6596
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| 89 |
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S 51.4006 42.4111 48.6943
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| 90 |
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S 51.3377 42.4263 48.6993
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| 91 |
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S 51.2443 42.3661 48.7064
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| 92 |
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S 51.1494 42.3338 48.6502
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| 93 |
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S 51.2171 42.3632 48.6581
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| 94 |
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S 51.3122 42.4542 48.7058
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| 95 |
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S 51.3422 42.5367 48.6902
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| 96 |
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S 51.4245 42.6214 48.5971
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| 97 |
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S 51.4502 42.6126 48.5041
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| 98 |
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S 51.4681 42.6464 48.4089
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| 99 |
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S 51.4936 42.7215 48.4111
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| 100 |
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S 51.4195 42.6689 48.4759
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| 101 |
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S 51.3556 42.5929 48.4975
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| 102 |
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S 51.2829 42.5397 48.4227
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| 103 |
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S 51.2744 42.5419 48.4234
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| 104 |
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S 51.2892 42.5943 48.4812
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| 105 |
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S 51.4142 42.6308 48.5705
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| 106 |
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S 51.5927 42.6299 48.6332
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| 107 |
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S 51.7743 42.6142 48.6694
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| 108 |
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S 51.8201 42.5476 48.7071
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| 109 |
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S 51.7911 42.4465 48.7455
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| 110 |
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S 51.7277 42.3808 48.8515
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| 111 |
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S 51.6776 42.3615 48.8926
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| 112 |
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S 51.6997 42.3871 48.8543
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| 113 |
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S 51.7028 42.4149 48.7251
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| 114 |
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S 51.6117 42.4625 48.5847
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| 115 |
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S 51.5351 42.4260 48.5031
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| 116 |
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S 51.5109 42.3873 48.3824
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| 117 |
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S 51.5007 42.3473 48.2459
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| 118 |
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S 51.5190 42.3378 48.2013
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| 119 |
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S 51.4993 42.3605 48.1910
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| 120 |
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S 51.4523 42.3685 48.3169
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| 121 |
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S 51.3718 42.3922 48.4376
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| 122 |
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S 51.3640 42.4295 48.5049
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| 123 |
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S 51.3784 42.4653 48.5538
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| 124 |
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S 51.3971 42.5486 48.5298
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| 125 |
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S 51.4510 42.5583 48.5239
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| 126 |
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S 51.4854 42.6039 48.4779
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| 127 |
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S 51.5513 42.6856 48.5230
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| 128 |
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S 51.5465 42.7351 48.5936
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| 129 |
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S 51.5465 42.7519 48.6386
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| 130 |
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S 51.5683 42.7374 48.7007
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S 51.5295 42.6984 48.6183
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| 132 |
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S 51.4054 42.6610 48.5413
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| 133 |
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S 51.2989 42.6692 48.4696
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| 134 |
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S 51.2434 42.6383 48.5055
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| 135 |
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S 51.2349 42.5558 48.5510
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| 136 |
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| 137 |
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S 51.3413 42.5121 48.4575
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| 138 |
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S 51.3666 42.5266 48.4636
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| 139 |
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S 51.3803 42.5672 48.4731
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| 140 |
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S 51.3760 42.6325 48.4618
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| 141 |
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S 51.3591 42.6773 48.4467
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| 142 |
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S 51.3455 42.6555 48.4344
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| 143 |
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S 51.3507 42.5878 48.4344
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| 144 |
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S 51.3765 42.5700 48.4682
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S 51.4074 42.5543 48.6896
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S 51.4962 42.5599 48.7295
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S 51.5652 42.5111 48.7348
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| 149 |
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S 51.6003 42.4181 48.6632
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| 150 |
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S 51.6248 42.4038 48.6089
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S 51.6126 42.3981 48.5390
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S 51.5742 42.4158 48.4369
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| 153 |
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S 51.5715 42.4578 48.4106
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| 154 |
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S 51.5800 42.5772 48.3786
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| 155 |
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S 51.5988 42.7396 48.3219
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| 156 |
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S 51.6359 42.8438 48.2635
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S 51.6348 42.9329 48.2894
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| 158 |
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S 51.5746 43.0112 48.3357
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| 159 |
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S 51.5919 43.4471 48.3719
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| 160 |
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S 51.7028 44.1318 48.3578
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| 161 |
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S 51.8763 44.7217 48.3279
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| 162 |
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S 52.1739 45.0651 48.3421
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| 163 |
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S 52.4590 45.1365 48.3447
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| 164 |
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S 52.6760 45.1381 48.3579
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| 165 |
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S 52.8222 45.0256 48.3206
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| 166 |
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S 52.8793 44.8820 48.3554
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| 167 |
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S 52.8923 44.6942 48.3734
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| 168 |
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S 52.9201 44.5515 48.3988
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| 169 |
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S 52.9049 44.4164 48.4592
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| 170 |
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S 52.8952 44.2346 48.5339
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| 171 |
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S 52.9198 44.0269 48.6061
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| 172 |
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S 53.0141 43.8206 48.5618
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| 173 |
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S 53.1475 43.6787 48.5493
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| 174 |
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S 53.3475 43.6273 48.5475
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| 175 |
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S 53.6036 43.5591 48.5476
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S 53.9176 43.5407 48.4761
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| 177 |
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S 54.0683 43.5411 48.3994
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| 178 |
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S 54.0834 43.5328 48.3376
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| 179 |
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S 54.0276 43.4269 48.2634
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| 180 |
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S 53.9832 43.2654 48.1748
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| 181 |
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S 53.9360 43.0868 48.0998
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| 182 |
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S 53.9425 42.9640 48.0616
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| 183 |
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S 53.9938 42.9117 48.0577
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| 184 |
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S 54.0469 42.8405 48.1562
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| 185 |
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S 54.0559 42.7941 48.2510
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S 54.0702 42.7249 48.2598
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| 187 |
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S 54.0984 42.6004 48.3023
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| 188 |
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S 54.1456 42.4658 48.3142
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| 189 |
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S 54.1887 42.3788 48.2668
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| 190 |
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S 54.2151 42.3081 48.3342
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| 191 |
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S 54.2371 42.2333 48.4213
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| 192 |
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S 54.2673 42.1763 48.4853
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| 193 |
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S 54.2889 42.0933 48.5327
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| 194 |
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S 54.3750 42.0361 48.5171
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S 54.4844 42.0743 48.5103
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| 196 |
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S 54.5645 42.1397 48.4632
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S 54.6705 42.1053 48.4048
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S 54.6997 42.0216 48.3721
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S 54.6706 41.9353 48.3854
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S 54.6468 41.9182 48.4263
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S 54.6825 41.8545 48.4547
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S 54.7233 41.7519 48.5671
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S 54.7631 41.6309 48.7025
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S 54.8583 41.5047 48.7748
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S 54.9821 41.3680 48.8271
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S 54.9768 41.2309 48.7368
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S 54.9722 41.1454 48.5829
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S 55.0296 41.0419 48.4606
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S 55.0256 40.9309 48.3432
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| 210 |
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S 54.9515 40.8538 48.2389
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| 211 |
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S 54.8255 40.7917 48.1195
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| 212 |
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S 54.7215 40.5961 48.0658
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| 213 |
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S 54.6601 40.2776 48.1153
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| 214 |
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S 54.6599 39.9203 48.1995
|
| 215 |
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S 54.6687 39.5670 48.2578
|
| 216 |
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S 54.6699 39.2893 48.3156
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| 217 |
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S 54.7240 39.0919 48.3617
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| 218 |
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S 54.7616 38.9376 48.3685
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| 219 |
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S 54.7009 38.8032 48.3932
|
| 220 |
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S 54.6164 38.7141 48.3923
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| 221 |
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S 54.5440 38.6311 48.4019
|
| 222 |
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S 54.4696 38.6410 48.3422
|
| 223 |
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S 54.3696 38.6849 48.3164
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| 224 |
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S 54.3182 38.7869 48.2640
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| 225 |
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S 54.2548 38.8733 48.1259
|
| 226 |
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S 54.1502 38.9219 48.0404
|
| 227 |
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S 54.0030 38.8347 48.0250
|
| 228 |
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S 53.8763 38.7198 48.0549
|
| 229 |
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S 53.7795 38.6021 48.1109
|
| 230 |
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S 53.6578 38.5100 48.1506
|
| 231 |
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S 53.5529 38.3209 48.1874
|
| 232 |
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S 53.4174 38.0510 48.2671
|
| 233 |
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S 53.3292 37.8708 48.3244
|
| 234 |
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S 53.2918 37.7708 48.3581
|
| 235 |
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S 53.2979 37.6289 48.3545
|
| 236 |
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S 53.3026 37.6050 48.2694
|
| 237 |
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S 53.2799 37.6653 48.1641
|
| 238 |
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S 53.2654 37.7490 48.1020
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| 239 |
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S 53.2757 37.8287 48.0706
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| 240 |
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S 53.2754 37.8305 48.0558
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| 241 |
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S 53.3038 37.7793 48.0921
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| 242 |
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S 53.3404 37.7203 48.2329
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| 243 |
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S 53.4538 37.7118 48.3384
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| 244 |
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S 53.5820 37.7592 48.3500
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| 245 |
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S 53.6570 37.8366 48.2713
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| 246 |
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S 53.6698 37.9215 48.3003
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| 247 |
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S 53.6459 37.9521 48.4105
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| 248 |
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S 53.6381 37.9514 48.4949
|
| 249 |
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S 53.6366 37.9601 48.5472
|
| 250 |
+
S 53.6524 37.9212 48.5491
|
| 251 |
+
S 53.6615 37.8746 48.4936
|
| 252 |
+
S 53.6126 37.7589 48.4507
|
| 253 |
+
S 53.5572 37.5907 48.4338
|
| 254 |
+
S 53.5418 37.3777 48.5556
|
| 255 |
+
S 53.5799 37.1933 48.6063
|
| 256 |
+
S 53.6282 37.0560 48.6145
|
2yki_ligand_17AAG_218_dock1/MCpath13.xyz
ADDED
|
@@ -0,0 +1,85 @@
|
|
|
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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 |
+
83
|
| 2 |
+
83
|
| 3 |
+
S 53.0291 39.9686 47.9969
|
| 4 |
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S 53.0497 39.9440 47.9947
|
| 5 |
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S 53.0842 39.8727 47.9930
|
| 6 |
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S 53.1315 39.8350 47.9535
|
| 7 |
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S 53.1516 39.7848 47.9625
|
| 8 |
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S 53.1549 39.7937 47.9888
|
| 9 |
+
S 53.2031 39.7507 48.0026
|
| 10 |
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S 53.2573 39.7518 48.0498
|
| 11 |
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S 53.2845 39.7499 48.0843
|
| 12 |
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S 53.3091 39.7735 48.1213
|
| 13 |
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S 53.3385 39.8094 48.0902
|
| 14 |
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S 53.3836 39.8587 48.0422
|
| 15 |
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S 53.3641 39.8567 48.0621
|
| 16 |
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S 53.3133 39.8547 48.1232
|
| 17 |
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S 53.2639 39.8282 48.2820
|
| 18 |
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S 53.1873 39.7368 48.3884
|
| 19 |
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S 53.1703 39.6624 48.4717
|
| 20 |
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S 53.1846 39.6268 48.5041
|
| 21 |
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S 53.2222 39.5790 48.5425
|
| 22 |
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S 53.2560 39.5799 48.6024
|
| 23 |
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S 53.3013 39.6052 48.5522
|
| 24 |
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S 53.3843 39.5478 48.4459
|
| 25 |
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S 53.4873 39.4370 48.3741
|
| 26 |
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S 53.5906 39.3964 48.3218
|
| 27 |
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S 53.6677 39.4230 48.3081
|
| 28 |
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S 53.6881 39.4863 48.3373
|
| 29 |
+
S 53.6389 39.5434 48.3354
|
| 30 |
+
S 53.4896 39.5504 48.3659
|
| 31 |
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S 53.3870 39.4550 48.3752
|
| 32 |
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S 53.3008 39.3477 48.3362
|
| 33 |
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S 53.2041 39.2530 48.3562
|
| 34 |
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S 53.2415 39.1174 48.4655
|
| 35 |
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S 53.2982 39.0719 48.4498
|
| 36 |
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S 53.3627 39.0838 48.3766
|
| 37 |
+
S 53.4967 39.0779 48.3845
|
| 38 |
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S 53.5932 39.1292 48.3811
|
| 39 |
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S 53.7139 39.1568 48.3479
|
| 40 |
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S 53.7606 39.2178 48.3482
|
| 41 |
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S 53.7611 39.3047 48.3139
|
| 42 |
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S 53.7790 39.2844 48.2744
|
| 43 |
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S 53.7643 39.1900 48.3379
|
| 44 |
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S 53.7465 39.0968 48.3276
|
| 45 |
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S 53.7512 38.8746 48.3453
|
| 46 |
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S 53.7242 38.4698 48.3111
|
| 47 |
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S 53.8091 38.0382 48.2142
|
| 48 |
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S 53.8936 37.6322 48.1471
|
| 49 |
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|
| 50 |
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S 54.1880 37.2134 47.9985
|
| 51 |
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S 54.3420 37.1503 47.9607
|
| 52 |
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S 54.4168 37.1658 47.8231
|
| 53 |
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S 54.5162 37.2266 47.6285
|
| 54 |
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S 54.6295 37.2827 47.5062
|
| 55 |
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S 54.7076 37.2879 47.2767
|
| 56 |
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S 54.6859 37.2999 47.0417
|
| 57 |
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S 54.6445 37.3164 46.9168
|
| 58 |
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S 54.6381 37.4041 46.8120
|
| 59 |
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S 54.6883 37.4502 46.6380
|
| 60 |
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S 54.7865 37.5366 46.4795
|
| 61 |
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S 54.8192 37.6444 46.3524
|
| 62 |
+
S 54.8142 37.6342 46.3081
|
| 63 |
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S 54.7476 37.6326 46.2432
|
| 64 |
+
S 54.6733 37.6264 46.1502
|
| 65 |
+
S 54.5905 37.6456 46.1452
|
| 66 |
+
S 54.5479 37.6001 46.2068
|
| 67 |
+
S 54.5712 37.5174 46.2692
|
| 68 |
+
S 54.5733 37.4048 46.3388
|
| 69 |
+
S 54.5249 37.2455 46.3536
|
| 70 |
+
S 54.4849 37.1143 46.3470
|
| 71 |
+
S 54.4237 36.9969 46.3632
|
| 72 |
+
S 54.3769 36.8482 46.4378
|
| 73 |
+
S 54.3602 36.7357 46.4466
|
| 74 |
+
S 54.4770 36.6022 46.4270
|
| 75 |
+
S 54.6700 36.4624 46.3864
|
| 76 |
+
S 54.8171 36.2884 46.3445
|
| 77 |
+
S 54.8611 36.0548 46.3287
|
| 78 |
+
S 54.9944 35.8298 46.3421
|
| 79 |
+
S 55.1401 35.6337 46.3556
|
| 80 |
+
S 55.2525 35.4964 46.3408
|
| 81 |
+
S 55.3384 35.3995 46.3108
|
| 82 |
+
S 55.4404 35.2840 46.3820
|
| 83 |
+
S 55.5431 35.2127 46.4498
|
| 84 |
+
S 55.6115 35.1619 46.5138
|
| 85 |
+
S 55.6733 35.0700 46.5497
|
2yki_ligand_17AAG_218_dock1/MCpath14.xyz
ADDED
|
@@ -0,0 +1,93 @@
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|
| 1 |
+
91
|
| 2 |
+
91
|
| 3 |
+
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|
| 4 |
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S 52.7221 40.1740 48.1748
|
| 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 52.6925 40.3411 48.2963
|
| 12 |
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|
| 13 |
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|
| 14 |
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S 52.8496 40.4118 48.2375
|
| 15 |
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S 52.9316 40.4553 48.3220
|
| 16 |
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S 53.0171 40.5526 48.2729
|
| 17 |
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S 53.1062 40.5838 48.2318
|
| 18 |
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S 53.1492 40.5076 48.1912
|
| 19 |
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S 53.2509 40.4465 48.2154
|
| 20 |
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S 53.3532 40.3948 48.3273
|
| 21 |
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S 53.4296 40.3613 48.4035
|
| 22 |
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S 53.5576 40.3531 48.3854
|
| 23 |
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S 53.7118 40.3538 48.3998
|
| 24 |
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S 53.8537 40.3904 48.4636
|
| 25 |
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S 53.9480 40.4547 48.5033
|
| 26 |
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S 54.0452 40.3773 48.5061
|
| 27 |
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|
| 28 |
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S 54.2051 40.3264 48.4112
|
| 29 |
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S 54.4142 40.3609 48.4551
|
| 30 |
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S 54.5743 40.3622 48.5277
|
| 31 |
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S 54.6928 40.3444 48.5149
|
| 32 |
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S 54.7046 40.2940 48.4881
|
| 33 |
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S 54.6764 40.2037 48.4913
|
| 34 |
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S 54.6402 40.1502 48.3968
|
| 35 |
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S 54.5867 40.2065 48.3181
|
| 36 |
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S 54.5842 40.3134 48.2734
|
| 37 |
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S 54.5655 40.4212 48.2778
|
| 38 |
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S 54.4718 40.4559 48.2154
|
| 39 |
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S 54.3481 40.4344 48.0812
|
| 40 |
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S 54.2638 40.4256 47.9314
|
| 41 |
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|
| 42 |
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S 54.2500 40.4800 47.5230
|
| 43 |
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S 54.3121 40.4647 47.3643
|
| 44 |
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S 54.4406 40.5027 47.2410
|
| 45 |
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S 54.5172 40.5710 47.0725
|
| 46 |
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S 54.4573 40.5435 46.9222
|
| 47 |
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S 54.3331 40.4702 46.7967
|
| 48 |
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S 54.1986 40.4102 46.7516
|
| 49 |
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S 54.0894 40.3369 46.7626
|
| 50 |
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S 54.0355 40.2300 46.7556
|
| 51 |
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|
| 52 |
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S 54.0626 40.0481 46.8600
|
| 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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S 54.1349 38.4503 47.0262
|
| 59 |
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|
| 60 |
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|
| 61 |
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S 53.8649 37.7073 47.4041
|
| 62 |
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|
| 63 |
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|
| 64 |
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S 53.4053 37.5617 47.3667
|
| 65 |
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S 53.2192 37.5660 47.4814
|
| 66 |
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S 53.1130 37.5388 47.6904
|
| 67 |
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S 53.0995 37.5269 47.7803
|
| 68 |
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S 53.1644 37.5209 47.7675
|
| 69 |
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S 53.2998 37.5050 47.8125
|
| 70 |
+
S 53.4445 37.5365 47.8383
|
| 71 |
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S 53.5649 37.6083 47.7308
|
| 72 |
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S 53.5823 37.6935 47.5718
|
| 73 |
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S 53.5576 37.6868 47.4239
|
| 74 |
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S 53.6168 37.6784 47.3246
|
| 75 |
+
S 53.6482 37.6381 47.3315
|
| 76 |
+
S 53.7433 37.5508 47.3839
|
| 77 |
+
S 53.7934 37.4800 47.4452
|
| 78 |
+
S 53.7720 37.4408 47.5065
|
| 79 |
+
S 53.7638 37.3210 47.5057
|
| 80 |
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S 53.7486 37.2240 47.5442
|
| 81 |
+
S 53.7068 37.1978 47.5588
|
| 82 |
+
S 53.7239 37.1895 47.5174
|
| 83 |
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S 53.7282 37.2129 47.4939
|
| 84 |
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S 53.7535 37.2776 47.5133
|
| 85 |
+
S 53.8222 37.4186 47.5420
|
| 86 |
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S 53.8153 37.4665 47.5647
|
| 87 |
+
S 53.7262 37.4441 47.6177
|
| 88 |
+
S 53.6011 37.3910 47.6521
|
| 89 |
+
S 53.4365 37.3400 47.6513
|
| 90 |
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S 53.2551 37.2863 47.6966
|
| 91 |
+
S 53.1196 37.2290 47.7453
|
| 92 |
+
S 53.1235 37.1397 47.7417
|
| 93 |
+
S 53.2298 36.9943 47.7395
|
2yki_ligand_17AAG_218_dock1/MCpath15.xyz
ADDED
|
@@ -0,0 +1,180 @@
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| 1 |
+
178
|
| 2 |
+
178
|
| 3 |
+
S 52.9947 40.0162 48.1884
|
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| 28 |
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| 40 |
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| 180 |
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|
2yki_ligand_17AAG_218_dock1/MCpath16.xyz
ADDED
|
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|
| 1 |
+
179
|
| 2 |
+
179
|
| 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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| 10 |
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| 11 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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S 53.6898 40.3321 48.2653
|
| 29 |
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S 53.6751 40.4146 48.2858
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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S 53.6365 40.7579 48.6958
|
| 38 |
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S 53.5081 40.7565 48.7347
|
| 39 |
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S 53.4078 40.7482 48.7902
|
| 40 |
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S 53.3657 40.6830 48.7718
|
| 41 |
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S 53.3427 40.6597 48.7363
|
| 42 |
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S 53.3416 40.5670 48.6645
|
| 43 |
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S 53.2897 40.5640 48.5907
|
| 44 |
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S 53.2828 40.5952 48.5201
|
| 45 |
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S 53.2323 40.5951 48.4745
|
| 46 |
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S 53.1805 40.5853 48.5859
|
| 47 |
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S 53.1592 40.5323 48.7265
|
| 48 |
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S 53.1778 40.4621 48.8061
|
| 49 |
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S 53.2190 40.3909 48.7787
|
| 50 |
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S 53.2909 40.2936 48.6436
|
| 51 |
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S 53.3587 40.2576 48.5275
|
| 52 |
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S 53.4399 40.2379 48.4946
|
| 53 |
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S 53.5296 40.2098 48.5675
|
| 54 |
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|
| 55 |
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S 53.5110 40.2264 48.5770
|
| 56 |
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S 53.4835 40.2245 48.5592
|
| 57 |
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S 53.5098 40.2933 48.5015
|
| 58 |
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S 53.5868 40.3496 48.4117
|
| 59 |
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S 53.6813 40.3416 48.3540
|
| 60 |
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S 53.7246 40.4114 48.2823
|
| 61 |
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S 53.7540 40.5073 48.2792
|
| 62 |
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S 53.7908 40.6070 48.3449
|
| 63 |
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S 53.8509 40.6098 48.4234
|
| 64 |
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S 53.8157 40.6199 48.5814
|
| 65 |
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S 53.7720 40.6339 48.6737
|
| 66 |
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S 53.7084 40.5845 48.6850
|
| 67 |
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S 53.6835 40.5593 48.5738
|
| 68 |
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S 53.7135 40.5224 48.4840
|
| 69 |
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S 53.7629 40.5155 48.4800
|
| 70 |
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S 53.8056 40.5086 48.4624
|
| 71 |
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S 53.8032 40.5467 48.4414
|
| 72 |
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S 53.7650 40.5002 48.4080
|
| 73 |
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S 53.6550 40.4279 48.3768
|
| 74 |
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2yki_ligand_17AAG_218_dock1/MCpath17.xyz
ADDED
|
@@ -0,0 +1,301 @@
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|
| 1 |
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299
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| 2 |
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299
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| 3 |
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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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| 35 |
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| 44 |
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| 49 |
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| 65 |
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| 66 |
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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S 51.4536 41.5947 48.3356
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| 73 |
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S 51.5072 41.6548 48.3705
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| 74 |
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| 75 |
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| 76 |
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S 51.4512 41.6918 48.4495
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| 77 |
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S 51.4063 41.6974 48.5445
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| 78 |
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S 51.3176 41.7138 48.5626
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| 79 |
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| 80 |
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| 81 |
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| 82 |
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| 83 |
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| 84 |
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| 85 |
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| 86 |
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| 87 |
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| 88 |
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| 100 |
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| 101 |
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| 102 |
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|
2yki_ligand_17AAG_218_dock1/MCpath18.xyz
ADDED
|
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| 1 |
+
137
|
| 2 |
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137
|
| 3 |
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|
| 4 |
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| 19 |
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| 20 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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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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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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|
| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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|
| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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| 59 |
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|
| 60 |
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| 61 |
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|
| 62 |
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| 63 |
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| 64 |
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| 65 |
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|
| 66 |
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|
| 67 |
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S 53.4569 40.5932 50.3615
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| 68 |
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| 69 |
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| 70 |
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| 106 |
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| 107 |
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| 108 |
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| 109 |
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| 110 |
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| 111 |
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|
| 113 |
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| 114 |
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| 115 |
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|
| 116 |
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|
| 117 |
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|
| 118 |
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|
| 119 |
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|
| 120 |
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| 121 |
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| 122 |
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| 123 |
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| 124 |
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| 125 |
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| 127 |
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| 128 |
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| 129 |
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| 130 |
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|
| 131 |
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|
| 132 |
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|
| 133 |
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|
| 134 |
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|
| 135 |
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| 136 |
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| 137 |
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|
| 138 |
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|
| 139 |
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|
2yki_ligand_17AAG_218_dock1/MCpath19.xyz
ADDED
|
@@ -0,0 +1,134 @@
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| 1 |
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132
|
| 2 |
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132
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| 4 |
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| 27 |
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| 28 |
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| 29 |
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| 32 |
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| 33 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 40 |
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| 44 |
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| 45 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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| 70 |
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| 75 |
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| 76 |
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| 77 |
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| 78 |
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| 134 |
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|
2yki_ligand_17AAG_218_dock1/MCpath2.xyz
ADDED
|
@@ -0,0 +1,149 @@
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| 1 |
+
147
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| 2 |
+
147
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| 3 |
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|
| 4 |
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| 8 |
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| 9 |
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| 10 |
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2yki_ligand_17AAG_218_dock1/MCpath20.xyz
ADDED
|
@@ -0,0 +1,157 @@
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| 1 |
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155
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| 2 |
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|
| 122 |
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|
| 123 |
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S 58.0299 36.3428 46.4187
|
| 124 |
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|
| 125 |
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|
| 126 |
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|
| 127 |
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|
| 128 |
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S 58.4197 36.2659 46.4364
|
| 129 |
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S 58.4454 36.1831 46.4551
|
| 130 |
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|
| 131 |
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|
| 132 |
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|
| 133 |
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|
| 134 |
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|
| 135 |
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|
| 136 |
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|
| 137 |
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S 59.3452 35.4610 46.5251
|
| 138 |
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|
| 139 |
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|
| 140 |
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|
| 141 |
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|
| 142 |
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|
| 143 |
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|
| 144 |
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S 60.1452 35.4032 46.1035
|
| 145 |
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|
| 146 |
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|
| 147 |
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|
| 148 |
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|
| 149 |
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|
| 150 |
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|
| 151 |
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|
| 152 |
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|
| 153 |
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|
| 154 |
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|
| 155 |
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|
| 156 |
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|
| 157 |
+
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|
2yki_ligand_17AAG_218_dock1/MCpath21.xyz
ADDED
|
@@ -0,0 +1,108 @@
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| 1 |
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106
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| 2 |
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106
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| 3 |
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| 4 |
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| 5 |
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| 7 |
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| 8 |
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| 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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| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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|
| 53 |
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|
| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 60 |
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| 61 |
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| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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| 71 |
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| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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| 76 |
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| 77 |
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| 78 |
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| 80 |
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| 83 |
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|
| 84 |
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|
| 85 |
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| 86 |
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| 87 |
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| 88 |
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| 89 |
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| 90 |
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| 92 |
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| 93 |
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| 94 |
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| 95 |
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| 96 |
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| 108 |
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2yki_ligand_17AAG_218_dock1/MCpath22.xyz
ADDED
|
@@ -0,0 +1,128 @@
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|
| 1 |
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126
|
| 2 |
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126
|
| 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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| 42 |
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| 48 |
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| 50 |
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| 52 |
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| 53 |
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| 55 |
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| 56 |
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| 61 |
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| 62 |
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|
| 63 |
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| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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| 76 |
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| 77 |
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|
| 78 |
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| 80 |
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| 82 |
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| 83 |
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|
| 85 |
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|
| 86 |
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| 87 |
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S 55.3051 37.2880 47.1131
|
| 88 |
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S 55.5796 37.1886 46.9106
|
| 89 |
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S 55.8730 37.1807 46.6422
|
| 90 |
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S 56.1337 37.1729 46.4486
|
| 91 |
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S 56.4117 37.1712 46.3082
|
| 92 |
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S 56.6356 37.2050 46.1972
|
| 93 |
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S 56.8253 37.3182 46.1525
|
| 94 |
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S 56.8653 37.4266 46.1812
|
| 95 |
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S 56.8083 37.4900 46.1935
|
| 96 |
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S 56.7421 37.5148 46.2065
|
| 97 |
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S 56.7074 37.5708 46.1903
|
| 98 |
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S 56.7137 37.5253 46.2496
|
| 99 |
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S 56.7537 37.4769 46.3870
|
| 100 |
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S 56.7840 37.4848 46.5183
|
| 101 |
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S 56.8127 37.4996 46.6352
|
| 102 |
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S 56.8486 37.4711 46.6922
|
| 103 |
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S 56.9022 37.4431 46.7354
|
| 104 |
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S 56.8991 37.4274 46.7657
|
| 105 |
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S 56.8814 37.3768 46.7119
|
| 106 |
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S 56.8790 37.2909 46.6597
|
| 107 |
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S 56.8997 37.2523 46.6520
|
| 108 |
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S 56.8836 37.2439 46.6041
|
| 109 |
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S 56.9255 37.2270 46.6007
|
| 110 |
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S 57.0114 37.1563 46.5939
|
| 111 |
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S 57.1256 37.0096 46.5319
|
| 112 |
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S 57.2517 36.7499 46.4459
|
| 113 |
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S 57.3596 36.3832 46.3755
|
| 114 |
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S 57.4694 36.0512 46.2949
|
| 115 |
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S 57.5156 35.8830 46.3005
|
| 116 |
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S 57.5345 35.7934 46.3568
|
| 117 |
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|
| 118 |
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|
| 119 |
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|
| 120 |
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|
| 121 |
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|
| 122 |
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|
| 123 |
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|
| 124 |
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|
| 125 |
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|
| 126 |
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|
| 127 |
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|
| 128 |
+
S 57.3897 35.1542 46.6011
|
2yki_ligand_17AAG_218_dock1/MCpath23.xyz
ADDED
|
@@ -0,0 +1,105 @@
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| 1 |
+
103
|
| 2 |
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103
|
| 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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S 53.4675 39.1850 48.3717
|
| 27 |
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S 53.4501 39.1581 48.3805
|
| 28 |
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S 53.4227 39.1978 48.3869
|
| 29 |
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S 53.4680 39.2056 48.4028
|
| 30 |
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S 53.4526 39.2228 48.3941
|
| 31 |
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S 53.4269 39.2607 48.4008
|
| 32 |
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|
| 33 |
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S 53.4381 39.2709 48.4508
|
| 34 |
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|
| 35 |
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| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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|
| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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|
| 56 |
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|
| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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S 56.2057 39.3529 48.1987
|
| 71 |
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S 56.2252 39.1919 48.0341
|
| 72 |
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S 56.2182 39.0281 47.9760
|
| 73 |
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S 56.1424 38.8017 47.9177
|
| 74 |
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S 56.0329 38.4739 47.7639
|
| 75 |
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S 55.9456 38.2295 47.5983
|
| 76 |
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S 55.9092 38.0377 47.4609
|
| 77 |
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S 55.7795 37.8428 47.3433
|
| 78 |
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|
| 79 |
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S 55.3056 37.4571 47.2280
|
| 80 |
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S 55.0922 37.3174 47.1464
|
| 81 |
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S 54.9564 37.2027 47.1835
|
| 82 |
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S 54.9135 37.1528 47.3033
|
| 83 |
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S 54.9279 37.1324 47.4275
|
| 84 |
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S 54.8904 37.1041 47.5230
|
| 85 |
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|
| 86 |
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|
| 87 |
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S 55.0409 37.0462 47.5435
|
| 88 |
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| 89 |
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S 55.0942 36.8345 47.6078
|
| 90 |
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S 55.0717 36.6762 47.6105
|
| 91 |
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| 92 |
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| 93 |
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| 94 |
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| 95 |
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| 96 |
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| 97 |
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| 98 |
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| 99 |
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|
| 100 |
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| 101 |
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| 102 |
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| 103 |
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| 104 |
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S 55.6003 35.1794 47.6612
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| 105 |
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S 55.7028 35.1105 47.7910
|
2yki_ligand_17AAG_218_dock1/MCpath24.xyz
ADDED
|
@@ -0,0 +1,271 @@
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| 1 |
+
269
|
| 2 |
+
269
|
| 3 |
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S 53.0085 40.1399 48.1091
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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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S 53.1969 40.4018 48.3525
|
| 27 |
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|
| 28 |
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|
| 29 |
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S 53.0748 40.6582 48.3760
|
| 30 |
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S 53.0840 40.7527 48.3835
|
| 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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S 53.6369 41.3381 48.6496
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| 36 |
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| 271 |
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|
2yki_ligand_17AAG_218_dock1/MCpath25.xyz
ADDED
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+
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| 2 |
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| 190 |
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| 199 |
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| 200 |
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| 201 |
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| 203 |
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| 204 |
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| 214 |
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| 218 |
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| 219 |
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| 220 |
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| 221 |
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| 222 |
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2yki_ligand_17AAG_218_dock1/MCpath26.xyz
ADDED
|
@@ -0,0 +1,38 @@
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|
| 1 |
+
36
|
| 2 |
+
36
|
| 3 |
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|
| 4 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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S 53.1921 39.9173 47.9767
|
| 11 |
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S 53.2717 39.8620 47.9585
|
| 12 |
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S 53.3194 39.7083 47.9108
|
| 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 53.4529 39.0915 47.2680
|
| 18 |
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S 53.4783 38.9924 47.2245
|
| 19 |
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S 53.5434 38.8925 47.1783
|
| 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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S 53.3712 38.4307 47.7244
|
| 27 |
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S 53.4911 38.3356 47.6769
|
| 28 |
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|
| 29 |
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S 53.6955 38.2404 47.5472
|
| 30 |
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S 53.6825 38.1266 47.5496
|
| 31 |
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S 53.6172 37.9823 47.5734
|
| 32 |
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S 53.6565 37.8943 47.6386
|
| 33 |
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S 53.7925 37.8462 47.6806
|
| 34 |
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S 53.8393 37.7791 47.6123
|
| 35 |
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S 53.7522 37.6119 47.5028
|
| 36 |
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S 53.6975 37.4042 47.4609
|
| 37 |
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S 53.7576 37.2297 47.4387
|
| 38 |
+
S 53.7357 37.1073 47.3989
|
2yki_ligand_17AAG_218_dock1/MCpath27.xyz
ADDED
|
@@ -0,0 +1,108 @@
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| 1 |
+
106
|
| 2 |
+
106
|
| 3 |
+
S 53.0693 40.0842 48.1957
|
| 4 |
+
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| 108 |
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|
2yki_ligand_17AAG_218_dock1/MCpath28.xyz
ADDED
|
@@ -0,0 +1,109 @@
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| 67 |
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| 68 |
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| 76 |
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| 77 |
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| 109 |
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|
2yki_ligand_17AAG_218_dock1/MCpath29.xyz
ADDED
|
@@ -0,0 +1,47 @@
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| 1 |
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45
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45
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 28 |
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| 29 |
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|
| 32 |
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| 33 |
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|
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|
| 37 |
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|
| 38 |
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| 39 |
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|
| 40 |
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| 45 |
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S 53.5091 37.2997 47.5962
|
| 46 |
+
S 53.5415 37.1781 47.5264
|
| 47 |
+
S 53.5507 37.0862 47.4666
|
2yki_ligand_17AAG_218_dock1/MCpath3.xyz
ADDED
|
@@ -0,0 +1,60 @@
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| 1 |
+
58
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| 2 |
+
58
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| 3 |
+
S 52.8635 40.0149 48.0683
|
| 4 |
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S 52.9233 40.0258 48.1144
|
| 5 |
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S 52.9827 40.0996 48.1530
|
| 6 |
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S 53.0086 40.1555 48.1577
|
| 7 |
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S 53.0275 40.1847 48.0884
|
| 8 |
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S 53.0251 40.2250 47.9916
|
| 9 |
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S 53.0271 40.2340 47.9903
|
| 10 |
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S 53.0755 40.2303 48.0070
|
| 11 |
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S 53.1222 40.1991 48.0986
|
| 12 |
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S 53.1628 40.2567 48.1571
|
| 13 |
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S 53.1867 40.3525 48.1969
|
| 14 |
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S 53.2029 40.3842 48.2428
|
| 15 |
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S 53.2326 40.4717 48.2460
|
| 16 |
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S 53.2495 40.5367 48.3471
|
| 17 |
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S 53.2234 40.5801 48.3722
|
| 18 |
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S 53.2650 40.6261 48.4689
|
| 19 |
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S 53.3228 40.6331 48.5205
|
| 20 |
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S 53.3959 40.6078 48.5749
|
| 21 |
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S 53.4027 40.6404 48.5915
|
| 22 |
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S 53.3994 40.7726 48.5334
|
| 23 |
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S 53.4555 40.8247 48.4933
|
| 24 |
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S 53.4883 40.8026 48.4450
|
| 25 |
+
S 53.4833 40.7400 48.3519
|
| 26 |
+
S 53.5157 40.6662 48.3075
|
| 27 |
+
S 53.4736 40.6294 48.3231
|
| 28 |
+
S 53.4892 40.6133 48.2747
|
| 29 |
+
S 53.4857 40.5947 48.2543
|
| 30 |
+
S 53.5148 40.5871 48.2961
|
| 31 |
+
S 53.5227 40.5941 48.3526
|
| 32 |
+
S 53.5645 40.5516 48.4430
|
| 33 |
+
S 53.6354 40.5087 48.5072
|
| 34 |
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S 53.6450 40.4155 48.5268
|
| 35 |
+
S 53.6129 40.2912 48.5213
|
| 36 |
+
S 53.5904 40.1393 48.4802
|
| 37 |
+
S 53.5380 39.8740 48.4582
|
| 38 |
+
S 53.4822 39.5015 48.3784
|
| 39 |
+
S 53.5118 39.0953 48.2678
|
| 40 |
+
S 53.4897 38.7653 48.2026
|
| 41 |
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S 53.4304 38.5356 48.1917
|
| 42 |
+
S 53.4087 38.3504 48.2112
|
| 43 |
+
S 53.3418 38.1818 48.2607
|
| 44 |
+
S 53.3081 38.0305 48.2738
|
| 45 |
+
S 53.3346 37.9827 48.2085
|
| 46 |
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S 53.3417 37.9661 48.1384
|
| 47 |
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S 53.3979 37.9632 48.0573
|
| 48 |
+
S 53.4693 37.9355 48.0267
|
| 49 |
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S 53.4950 37.8462 48.0607
|
| 50 |
+
S 53.5429 37.7809 48.1823
|
| 51 |
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S 53.5648 37.6863 48.2944
|
| 52 |
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S 53.5636 37.6025 48.2253
|
| 53 |
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S 53.5767 37.4686 48.2114
|
| 54 |
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S 53.5337 37.3571 48.3057
|
| 55 |
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S 53.5401 37.2692 48.3523
|
| 56 |
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S 53.6093 37.1555 48.3052
|
| 57 |
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S 53.6856 37.1411 48.2012
|
| 58 |
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S 53.7855 37.1784 48.1521
|
| 59 |
+
S 53.8263 37.1635 48.1300
|
| 60 |
+
S 53.7988 37.1091 48.1614
|
2yki_ligand_17AAG_218_dock1/MCpath30.xyz
ADDED
|
@@ -0,0 +1,82 @@
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|
| 1 |
+
80
|
| 2 |
+
80
|
| 3 |
+
S 52.8842 39.8952 47.9607
|
| 4 |
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S 52.8280 39.9114 47.9633
|
| 5 |
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S 52.8337 39.9615 47.9450
|
| 6 |
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S 52.8576 39.9797 47.9495
|
| 7 |
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S 52.8556 40.0246 47.8948
|
| 8 |
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S 52.8953 40.0607 47.8848
|
| 9 |
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S 52.9827 40.0379 47.9368
|
| 10 |
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S 53.0725 40.0538 47.9740
|
| 11 |
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S 53.2026 39.9966 47.9737
|
| 12 |
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S 53.2862 39.9393 47.9998
|
| 13 |
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S 53.3125 39.8953 48.0178
|
| 14 |
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S 53.3439 39.8539 48.0228
|
| 15 |
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|
| 16 |
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S 53.3644 39.7504 48.1344
|
| 17 |
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S 53.3005 39.6585 48.1252
|
| 18 |
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S 53.2409 39.5439 48.1579
|
| 19 |
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S 53.2430 39.4308 48.1384
|
| 20 |
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S 53.3099 39.3773 48.0461
|
| 21 |
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S 53.3866 39.4157 47.9921
|
| 22 |
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S 53.3832 39.4718 48.0642
|
| 23 |
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S 53.3494 39.4661 48.1637
|
| 24 |
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S 53.3171 39.5010 48.2142
|
| 25 |
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S 53.2720 39.4759 48.2101
|
| 26 |
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S 53.2587 39.4575 48.2328
|
| 27 |
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S 53.2649 39.4430 48.3456
|
| 28 |
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S 53.2765 39.4136 48.4419
|
| 29 |
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S 53.3310 39.4600 48.5344
|
| 30 |
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S 53.3885 39.5391 48.5644
|
| 31 |
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S 53.4417 39.5821 48.5876
|
| 32 |
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S 53.5035 39.6152 48.5515
|
| 33 |
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S 53.5302 39.5938 48.5803
|
| 34 |
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S 53.5086 39.4945 48.6781
|
| 35 |
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S 53.4552 39.3124 48.7077
|
| 36 |
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S 53.5226 39.1986 48.7221
|
| 37 |
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S 53.6638 39.0795 48.7624
|
| 38 |
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S 53.7784 38.8972 48.7390
|
| 39 |
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S 53.8629 38.6413 48.6594
|
| 40 |
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S 53.9422 38.3824 48.5875
|
| 41 |
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S 54.0659 38.1000 48.5730
|
| 42 |
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S 54.1435 37.9029 48.5298
|
| 43 |
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|
| 44 |
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S 54.2240 37.6936 48.2646
|
| 45 |
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|
| 46 |
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S 54.0666 37.4762 48.0995
|
| 47 |
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S 54.1117 37.4188 48.1007
|
| 48 |
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S 54.1134 37.3938 48.0825
|
| 49 |
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S 54.0698 37.2913 48.0592
|
| 50 |
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S 54.1021 37.2017 48.1104
|
| 51 |
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S 54.0998 37.1973 48.1812
|
| 52 |
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S 54.1572 37.2322 48.2391
|
| 53 |
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S 54.2439 37.2878 48.2260
|
| 54 |
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S 54.2964 37.3333 48.1520
|
| 55 |
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|
| 56 |
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S 54.4372 37.3715 48.1059
|
| 57 |
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S 54.5358 37.4205 48.0789
|
| 58 |
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S 54.6918 37.4590 48.0480
|
| 59 |
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S 54.7827 37.5067 48.0374
|
| 60 |
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S 54.7944 37.5289 48.0827
|
| 61 |
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S 54.8141 37.5297 48.1987
|
| 62 |
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S 54.9003 37.4989 48.3141
|
| 63 |
+
S 55.0583 37.5353 48.3877
|
| 64 |
+
S 55.1429 37.5082 48.4758
|
| 65 |
+
S 55.2342 37.4631 48.5628
|
| 66 |
+
S 55.4052 37.4534 48.6034
|
| 67 |
+
S 55.4856 37.4200 48.6776
|
| 68 |
+
S 55.5083 37.3995 48.7112
|
| 69 |
+
S 55.5405 37.3817 48.6910
|
| 70 |
+
S 55.5661 37.3971 48.6808
|
| 71 |
+
S 55.5950 37.3176 48.6873
|
| 72 |
+
S 55.6357 37.1924 48.7129
|
| 73 |
+
S 55.7074 37.0726 48.6788
|
| 74 |
+
S 55.7072 36.9469 48.5100
|
| 75 |
+
S 55.7030 36.7286 48.3157
|
| 76 |
+
S 55.7319 36.4818 48.2820
|
| 77 |
+
S 55.7087 36.1774 48.3675
|
| 78 |
+
S 55.6121 35.8892 48.4070
|
| 79 |
+
S 55.4380 35.6529 48.3717
|
| 80 |
+
S 55.3179 35.4661 48.3560
|
| 81 |
+
S 55.2165 35.3187 48.2926
|
| 82 |
+
S 55.1035 35.1491 48.2864
|
2yki_ligand_17AAG_218_dock1/MCpath31.xyz
ADDED
|
@@ -0,0 +1,176 @@
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|
| 1 |
+
174
|
| 2 |
+
174
|
| 3 |
+
S 53.1506 40.1071 47.9974
|
| 4 |
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S 53.1913 40.1180 47.9999
|
| 5 |
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S 53.2059 40.1007 47.9810
|
| 6 |
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S 53.1201 40.1212 47.9891
|
| 7 |
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S 53.0730 40.1734 47.9836
|
| 8 |
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S 53.0569 40.2046 47.9802
|
| 9 |
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S 53.0714 40.1904 48.0524
|
| 10 |
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S 53.1554 40.2375 48.1957
|
| 11 |
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S 53.2297 40.3796 48.2597
|
| 12 |
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S 53.2634 40.5186 48.2863
|
| 13 |
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S 53.2500 40.5482 48.3639
|
| 14 |
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S 53.2487 40.5378 48.4615
|
| 15 |
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S 53.2321 40.5065 48.5368
|
| 16 |
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S 53.2132 40.5444 48.5405
|
| 17 |
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S 53.1540 40.5401 48.5170
|
| 18 |
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S 53.0958 40.4747 48.5085
|
| 19 |
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S 53.1798 40.5033 48.3981
|
| 20 |
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S 53.3159 40.4738 48.2563
|
| 21 |
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S 53.4308 40.3411 48.2174
|
| 22 |
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S 53.5188 40.2027 48.1809
|
| 23 |
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S 53.5006 40.1288 48.2090
|
| 24 |
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S 53.4868 40.1441 48.3031
|
| 25 |
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S 53.5076 40.2452 48.3529
|
| 26 |
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S 53.5342 40.2937 48.2931
|
| 27 |
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S 53.6384 40.3641 48.2112
|
| 28 |
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S 53.7223 40.4423 48.1875
|
| 29 |
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S 53.7776 40.5767 48.1614
|
| 30 |
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S 53.7918 40.6767 48.2187
|
| 31 |
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S 53.7629 40.6603 48.2909
|
| 32 |
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S 53.7153 40.6154 48.3528
|
| 33 |
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S 53.6690 40.5457 48.4039
|
| 34 |
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S 53.6282 40.5475 48.4314
|
| 35 |
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S 53.5994 40.5631 48.4370
|
| 36 |
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S 53.5928 40.5347 48.4691
|
| 37 |
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S 53.5759 40.5165 48.4521
|
| 38 |
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S 53.6234 40.5091 48.4718
|
| 39 |
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S 53.6291 40.4526 48.5841
|
| 40 |
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S 53.5596 40.3816 48.6805
|
| 41 |
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S 53.4635 40.2900 48.7311
|
| 42 |
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S 53.4040 40.2127 48.8126
|
| 43 |
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S 53.3449 40.2350 48.8932
|
| 44 |
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S 53.2294 40.3672 48.9054
|
| 45 |
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S 53.2009 40.4819 48.8762
|
| 46 |
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S 53.2018 40.5093 48.8262
|
| 47 |
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S 53.2229 40.5597 48.8400
|
| 48 |
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S 53.1489 40.5957 48.8886
|
| 49 |
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S 53.1271 40.6775 49.0155
|
| 50 |
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S 53.1591 40.7214 49.3058
|
| 51 |
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S 53.1283 40.7228 49.5952
|
| 52 |
+
S 53.1503 40.7940 49.9241
|
| 53 |
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S 53.1733 40.8347 50.1799
|
| 54 |
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S 53.1820 40.7757 50.2587
|
| 55 |
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S 53.1595 40.7354 50.2689
|
| 56 |
+
S 53.1687 40.7071 50.3225
|
| 57 |
+
S 53.1371 40.6832 50.3157
|
| 58 |
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| 176 |
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|
2yki_ligand_17AAG_218_dock1/MCpath32.xyz
ADDED
|
@@ -0,0 +1,134 @@
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| 1 |
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132
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| 2 |
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|
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|
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|
| 134 |
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|
2yki_ligand_17AAG_218_dock1/MCpath33.xyz
ADDED
|
@@ -0,0 +1,128 @@
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|
| 1 |
+
126
|
| 2 |
+
126
|
| 3 |
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S 53.0489 40.3948 48.0531
|
| 4 |
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| 5 |
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| 6 |
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S 53.0870 40.4319 48.1140
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 12 |
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| 13 |
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S 53.4041 40.6077 48.2206
|
| 14 |
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S 53.4775 40.5917 48.2157
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| 15 |
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S 53.4879 40.5226 48.2243
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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 53.6311 40.3517 48.1648
|
| 20 |
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S 53.6388 40.3790 48.2188
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| 21 |
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S 53.6665 40.3479 48.3186
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| 22 |
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S 53.6924 40.3422 48.4276
|
| 23 |
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S 53.6215 40.3986 48.4851
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| 24 |
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S 53.5032 40.4590 48.5767
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| 25 |
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S 53.3669 40.5356 48.6577
|
| 26 |
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S 53.2953 40.6008 48.6947
|
| 27 |
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S 53.2080 40.6904 48.7029
|
| 28 |
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S 53.0805 40.7180 48.6891
|
| 29 |
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S 52.9749 40.7062 48.6377
|
| 30 |
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S 52.9606 40.7314 48.6144
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| 31 |
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|
| 32 |
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S 53.0956 40.6050 48.5498
|
| 33 |
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S 53.1938 40.5161 48.5705
|
| 34 |
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S 53.2183 40.5247 48.5329
|
| 35 |
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S 53.2953 40.5165 48.5767
|
| 36 |
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S 53.4472 40.4886 48.5940
|
| 37 |
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S 53.5423 40.4233 48.5634
|
| 38 |
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S 53.6432 40.3989 48.5935
|
| 39 |
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S 53.6884 40.3880 48.6107
|
| 40 |
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S 53.6619 40.4708 48.5951
|
| 41 |
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S 53.6808 40.5911 48.5488
|
| 42 |
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S 53.6616 40.5684 48.4902
|
| 43 |
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S 53.6656 40.5336 48.4556
|
| 44 |
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S 53.6462 40.5229 48.4231
|
| 45 |
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S 53.5499 40.5190 48.4350
|
| 46 |
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S 53.5173 40.5705 48.4263
|
| 47 |
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S 53.5842 40.6649 48.3635
|
| 48 |
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S 53.6447 40.6465 48.2936
|
| 49 |
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S 53.7254 40.6497 48.2078
|
| 50 |
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S 53.7875 40.7112 48.1809
|
| 51 |
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S 53.7971 40.6940 48.1731
|
| 52 |
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S 53.7577 40.6580 48.0708
|
| 53 |
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S 53.7044 40.6266 48.0184
|
| 54 |
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S 53.6730 40.6262 48.1037
|
| 55 |
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S 53.5559 40.6339 48.2486
|
| 56 |
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S 53.3531 40.6207 48.4041
|
| 57 |
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S 53.2613 40.6381 48.5225
|
| 58 |
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S 53.2111 40.6614 48.6063
|
| 59 |
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S 53.2216 40.6018 48.6493
|
| 60 |
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S 53.2210 40.5528 48.7111
|
| 61 |
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S 53.2430 40.4535 48.7173
|
| 62 |
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S 53.3156 40.3474 48.7293
|
| 63 |
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S 53.4444 40.2571 48.7554
|
| 64 |
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S 53.5239 40.1253 48.6680
|
| 65 |
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S 53.5955 40.0549 48.6329
|
| 66 |
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S 53.6824 39.8057 48.6408
|
| 67 |
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S 53.7366 39.3467 48.6234
|
| 68 |
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S 53.7710 38.7356 48.5574
|
| 69 |
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S 53.8207 38.0662 48.4611
|
| 70 |
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S 53.8462 37.6570 48.3450
|
| 71 |
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S 53.8872 37.4603 48.1877
|
| 72 |
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S 53.9655 37.3797 48.1546
|
| 73 |
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S 53.9179 37.3837 48.1401
|
| 74 |
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S 53.8661 37.4609 48.0927
|
| 75 |
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S 53.8858 37.5161 48.0547
|
| 76 |
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S 53.9244 37.5354 47.9757
|
| 77 |
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S 53.9621 37.5434 47.8240
|
| 78 |
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S 54.0376 37.5135 47.6439
|
| 79 |
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S 54.0916 37.4500 47.4114
|
| 80 |
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S 54.1657 37.4183 47.1900
|
| 81 |
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S 54.2622 37.3799 47.1214
|
| 82 |
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S 54.3543 37.3729 47.0841
|
| 83 |
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S 54.4617 37.3767 47.1004
|
| 84 |
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S 54.4523 37.3055 47.0658
|
| 85 |
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S 54.4638 37.3857 47.0534
|
| 86 |
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S 54.5393 37.5738 46.9822
|
| 87 |
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S 54.5796 37.6829 46.9288
|
| 88 |
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S 54.5923 37.7573 46.8604
|
| 89 |
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S 54.6045 37.7981 46.6919
|
| 90 |
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S 54.5588 37.8719 46.5242
|
| 91 |
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S 54.4851 37.9573 46.3439
|
| 92 |
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S 54.3731 38.0177 46.1671
|
| 93 |
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S 54.3534 38.0757 46.0341
|
| 94 |
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S 54.4212 38.0446 46.0043
|
| 95 |
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S 54.4841 37.9583 46.0336
|
| 96 |
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S 54.4855 37.7978 46.0457
|
| 97 |
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S 54.4587 37.6059 46.0315
|
| 98 |
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S 54.4863 37.4204 45.8799
|
| 99 |
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S 54.5610 37.2203 45.8266
|
| 100 |
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S 54.7393 37.1102 45.7392
|
| 101 |
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S 54.8947 37.0115 45.5867
|
| 102 |
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S 54.9863 36.9227 45.5778
|
| 103 |
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S 55.0757 36.8552 45.6742
|
| 104 |
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S 55.1993 36.8733 45.7377
|
| 105 |
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S 55.3130 36.8978 45.8330
|
| 106 |
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S 55.3491 36.8435 45.8738
|
| 107 |
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S 55.3927 36.7396 45.8491
|
| 108 |
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S 55.4372 36.6333 45.8177
|
| 109 |
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S 55.4972 36.4872 45.7530
|
| 110 |
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S 55.6021 36.4054 45.7064
|
| 111 |
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S 55.6666 36.3412 45.6322
|
| 112 |
+
S 55.7547 36.2547 45.5604
|
| 113 |
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S 55.8549 36.1058 45.4351
|
| 114 |
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S 55.9025 36.0630 45.3485
|
| 115 |
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S 55.9581 36.0691 45.4259
|
| 116 |
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S 55.9977 36.0698 45.5408
|
| 117 |
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S 56.0641 36.0524 45.5450
|
| 118 |
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S 56.1133 35.9967 45.4819
|
| 119 |
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S 56.1826 35.9492 45.5201
|
| 120 |
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S 56.2664 35.9059 45.5980
|
| 121 |
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S 56.2841 35.8973 45.6449
|
| 122 |
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S 56.3187 35.8744 45.7066
|
| 123 |
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S 56.3485 35.8092 45.7573
|
| 124 |
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S 56.4052 35.7380 45.7632
|
| 125 |
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S 56.4543 35.6211 45.7721
|
| 126 |
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S 56.4952 35.4657 45.8110
|
| 127 |
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S 56.5660 35.2726 45.8025
|
| 128 |
+
S 56.6777 35.0962 45.8405
|
2yki_ligand_17AAG_218_dock1/MCpath34.xyz
ADDED
|
@@ -0,0 +1,96 @@
|
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|
| 1 |
+
94
|
| 2 |
+
94
|
| 3 |
+
S 52.9250 40.2354 47.8138
|
| 4 |
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S 52.9260 40.2118 47.9092
|
| 5 |
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S 52.9801 40.2517 48.0331
|
| 6 |
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S 53.0931 40.3369 48.0960
|
| 7 |
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S 53.1996 40.4162 48.1631
|
| 8 |
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S 53.2686 40.4725 48.2257
|
| 9 |
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S 53.3169 40.5288 48.3350
|
| 10 |
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S 53.2957 40.6544 48.3523
|
| 11 |
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S 53.2772 40.7345 48.2963
|
| 12 |
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S 53.2772 40.7080 48.2733
|
| 13 |
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S 53.2560 40.7189 48.2758
|
| 14 |
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S 53.1973 40.7385 48.3684
|
| 15 |
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S 53.2344 40.7428 48.4700
|
| 16 |
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S 53.3244 40.7190 48.4659
|
| 17 |
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S 53.3843 40.7074 48.4003
|
| 18 |
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S 53.5149 40.6375 48.3424
|
| 19 |
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S 53.6552 40.5376 48.2897
|
| 20 |
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S 53.7665 40.4242 48.2454
|
| 21 |
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S 53.8530 40.2628 48.1623
|
| 22 |
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S 53.9304 40.0852 48.0419
|
| 23 |
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S 53.9954 39.9542 47.9903
|
| 24 |
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S 54.1241 39.7797 47.9677
|
| 25 |
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S 54.2657 39.6478 47.9013
|
| 26 |
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S 54.3751 39.6036 47.7721
|
| 27 |
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S 54.4475 39.5744 47.6969
|
| 28 |
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S 54.5724 39.5392 47.6701
|
| 29 |
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S 54.7064 39.4915 47.5478
|
| 30 |
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S 54.7658 39.4015 47.4285
|
| 31 |
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S 54.7555 39.2950 47.3290
|
| 32 |
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S 54.7508 39.2732 47.2741
|
| 33 |
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S 54.7284 39.3193 47.2128
|
| 34 |
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S 54.7291 39.3156 47.2201
|
| 35 |
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S 54.7830 39.3154 47.2349
|
| 36 |
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S 54.8483 39.2923 47.2222
|
| 37 |
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S 54.9634 39.2816 47.1523
|
| 38 |
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S 55.1131 39.1805 47.1779
|
| 39 |
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S 55.2873 39.0909 47.2199
|
| 40 |
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S 55.4337 38.9959 47.2051
|
| 41 |
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S 55.5415 38.8183 47.2159
|
| 42 |
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S 55.5943 38.6875 47.1458
|
| 43 |
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S 55.5671 38.5065 46.9933
|
| 44 |
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S 55.5591 38.2482 46.8707
|
| 45 |
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S 55.6066 37.9655 46.7915
|
| 46 |
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S 55.6630 37.7575 46.6994
|
| 47 |
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S 55.7165 37.6468 46.6220
|
| 48 |
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S 55.6965 37.4836 46.5308
|
| 49 |
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S 55.6853 37.2920 46.4435
|
| 50 |
+
S 55.6717 37.1944 46.3613
|
| 51 |
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S 55.6481 37.1257 46.2856
|
| 52 |
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S 55.6647 37.1260 46.2926
|
| 53 |
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S 55.6657 37.1630 46.3103
|
| 54 |
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S 55.6955 37.2283 46.3602
|
| 55 |
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S 55.6870 37.3555 46.3401
|
| 56 |
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S 55.6237 37.3977 46.3421
|
| 57 |
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S 55.5173 37.3377 46.3671
|
| 58 |
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S 55.4462 37.2686 46.3612
|
| 59 |
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S 55.3359 37.2356 46.3716
|
| 60 |
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S 55.2330 37.3049 46.3195
|
| 61 |
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S 55.1313 37.4011 46.2614
|
| 62 |
+
S 55.0895 37.4741 46.2029
|
| 63 |
+
S 55.1929 37.6009 46.2438
|
| 64 |
+
S 55.3096 37.6485 46.3400
|
| 65 |
+
S 55.4065 37.6608 46.3537
|
| 66 |
+
S 55.4653 37.6609 46.3140
|
| 67 |
+
S 55.4393 37.6098 46.2641
|
| 68 |
+
S 55.4319 37.5842 46.2950
|
| 69 |
+
S 55.4188 37.5958 46.2535
|
| 70 |
+
S 55.3866 37.5762 46.2390
|
| 71 |
+
S 55.3190 37.5245 46.2631
|
| 72 |
+
S 55.3263 37.5216 46.3689
|
| 73 |
+
S 55.3634 37.5372 46.4473
|
| 74 |
+
S 55.3307 37.5148 46.5121
|
| 75 |
+
S 55.2876 37.4749 46.5351
|
| 76 |
+
S 55.2933 37.4324 46.5890
|
| 77 |
+
S 55.2947 37.4250 46.5755
|
| 78 |
+
S 55.2136 37.4708 46.4030
|
| 79 |
+
S 55.1114 37.4679 46.3076
|
| 80 |
+
S 55.0822 37.4568 46.2907
|
| 81 |
+
S 55.1396 37.4303 46.2647
|
| 82 |
+
S 55.3071 37.3945 46.2879
|
| 83 |
+
S 55.4606 37.3049 46.3734
|
| 84 |
+
S 55.6038 37.2156 46.4298
|
| 85 |
+
S 55.7136 37.2330 46.4576
|
| 86 |
+
S 55.7655 37.2285 46.4447
|
| 87 |
+
S 55.8039 37.2115 46.5087
|
| 88 |
+
S 55.7544 37.1848 46.5832
|
| 89 |
+
S 55.7208 37.1634 46.6561
|
| 90 |
+
S 55.6576 37.0504 46.7172
|
| 91 |
+
S 55.6028 36.7615 46.6785
|
| 92 |
+
S 55.6105 36.3769 46.5967
|
| 93 |
+
S 55.7405 35.9558 46.5813
|
| 94 |
+
S 55.8728 35.5889 46.5369
|
| 95 |
+
S 55.9485 35.3415 46.5175
|
| 96 |
+
S 56.0842 35.1304 46.4944
|
2yki_ligand_17AAG_218_dock1/MCpath35.xyz
ADDED
|
@@ -0,0 +1,118 @@
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|
| 1 |
+
116
|
| 2 |
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116
|
| 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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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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|
| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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S 54.9760 37.4967 46.2252
|
| 66 |
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S 55.0863 37.5387 46.2349
|
| 67 |
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S 55.3287 37.5582 46.2830
|
| 68 |
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S 55.6231 37.5396 46.3117
|
| 69 |
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S 55.8402 37.5227 46.2994
|
| 70 |
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S 55.9534 37.5093 46.2643
|
| 71 |
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S 56.0727 37.5128 46.1855
|
| 72 |
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S 56.1426 37.4334 46.1579
|
| 73 |
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S 56.1484 37.4177 46.1083
|
| 74 |
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|
| 75 |
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|
| 76 |
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| 77 |
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S 56.2200 37.5799 46.3802
|
| 78 |
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S 56.1730 37.5998 46.4493
|
| 79 |
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S 56.0896 37.6274 46.5031
|
| 80 |
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S 56.0042 37.6465 46.5344
|
| 81 |
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S 55.9408 37.5728 46.5931
|
| 82 |
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S 55.9057 37.5078 46.5912
|
| 83 |
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S 55.8812 37.4798 46.5465
|
| 84 |
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S 55.9148 37.5176 46.4879
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| 85 |
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S 56.0243 37.6226 46.3969
|
| 86 |
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S 56.1287 37.6603 46.3287
|
| 87 |
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S 56.2188 37.6471 46.3208
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| 88 |
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S 56.2427 37.6078 46.2335
|
| 89 |
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S 56.1841 37.5516 46.2287
|
| 90 |
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S 56.2050 37.5069 46.1881
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| 91 |
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S 56.3114 37.5039 46.1574
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| 92 |
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S 56.4596 37.5211 46.2164
|
| 93 |
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S 56.6451 37.5442 46.2702
|
| 94 |
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| 95 |
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S 56.9414 37.6075 46.3227
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| 96 |
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| 97 |
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| 98 |
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|
| 99 |
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|
| 100 |
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S 57.8425 37.3584 45.9617
|
| 101 |
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S 57.9979 37.3405 45.8082
|
| 102 |
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S 58.1034 37.3306 45.7213
|
| 103 |
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S 58.1505 37.3034 45.6779
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| 104 |
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| 105 |
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S 58.2114 37.1758 45.8312
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| 106 |
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| 107 |
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S 58.1352 36.8797 45.7545
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| 108 |
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S 58.1058 36.7692 45.7022
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| 109 |
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S 58.1696 36.6767 45.7688
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| 110 |
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| 111 |
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| 112 |
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| 113 |
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| 114 |
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| 115 |
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| 116 |
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| 117 |
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| 118 |
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|
2yki_ligand_17AAG_218_dock1/MCpath36.xyz
ADDED
|
@@ -0,0 +1,154 @@
|
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|
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|
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|
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|
| 1 |
+
152
|
| 2 |
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152
|
| 3 |
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| 4 |
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|
| 17 |
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| 18 |
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| 19 |
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| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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| 30 |
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|
| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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|
| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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S 53.2797 41.2854 49.6827
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| 52 |
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|
| 53 |
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S 53.3043 41.4516 49.6796
|
| 54 |
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S 53.3618 41.5075 49.6474
|
| 55 |
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S 53.3895 41.5063 49.6578
|
| 56 |
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S 53.3768 41.5234 49.6445
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| 57 |
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S 53.3776 41.5429 49.5673
|
| 58 |
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|
| 59 |
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S 53.3166 41.5802 49.4451
|
| 60 |
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S 53.3364 41.6562 49.4423
|
| 61 |
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S 53.3749 41.7263 49.4647
|
| 62 |
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S 53.3939 41.7710 49.4367
|
| 63 |
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S 53.4120 41.8350 49.3889
|
| 64 |
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S 53.4429 41.8118 49.3310
|
| 65 |
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S 53.3984 41.7888 49.2297
|
| 66 |
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S 53.4288 41.7626 49.2397
|
| 67 |
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S 53.4750 41.7440 49.2861
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| 68 |
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S 53.4984 41.7663 49.3689
|
| 69 |
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S 53.4756 41.7865 49.4393
|
| 70 |
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S 53.4528 41.8000 49.4098
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| 71 |
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S 53.5177 41.7104 49.3704
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| 72 |
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S 53.6456 41.6592 49.3374
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| 73 |
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S 53.6809 41.6387 49.4472
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| 74 |
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S 53.6315 41.6426 49.5639
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| 75 |
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S 53.5425 41.6440 49.6035
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| 76 |
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S 53.4916 41.6206 49.6256
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| 77 |
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S 53.4461 41.6555 49.6216
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| 78 |
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S 53.4485 41.6700 49.6252
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| 79 |
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S 53.5398 41.7517 49.6948
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| 80 |
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S 53.6939 41.8387 49.7349
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| 81 |
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S 53.7846 41.8473 49.7161
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| 82 |
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S 53.8264 41.8397 49.6400
|
| 83 |
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S 53.8084 41.7704 49.5565
|
| 84 |
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S 53.7963 41.7632 49.4982
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| 85 |
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| 86 |
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S 53.9398 41.8211 49.4642
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| 87 |
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S 54.2869 41.7399 49.4218
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| 88 |
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| 89 |
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| 90 |
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| 91 |
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| 92 |
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S 55.3790 40.7634 48.1374
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| 93 |
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| 94 |
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| 95 |
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| 96 |
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| 97 |
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| 98 |
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| 99 |
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| 100 |
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S 55.1469 39.6205 47.3150
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| 101 |
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S 55.1570 39.4751 47.2730
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| 102 |
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S 55.1511 39.3211 47.2162
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| 103 |
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|
| 104 |
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| 105 |
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|
| 106 |
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|
| 107 |
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|
| 108 |
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| 109 |
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| 110 |
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| 111 |
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| 112 |
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| 113 |
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| 115 |
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| 116 |
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| 117 |
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| 118 |
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| 119 |
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|
| 120 |
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|
| 121 |
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|
| 122 |
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S 55.4871 37.1289 46.8005
|
| 123 |
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S 55.5298 37.0214 46.6833
|
| 124 |
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|
| 125 |
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|
| 126 |
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S 55.4131 36.8849 46.6255
|
| 127 |
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S 55.3919 36.9190 46.5350
|
| 128 |
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S 55.4109 36.9935 46.4706
|
| 129 |
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S 55.4199 37.0108 46.4532
|
| 130 |
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|
| 131 |
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S 55.6148 36.8820 46.3949
|
| 132 |
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|
| 133 |
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S 55.6710 36.5444 46.5102
|
| 134 |
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S 55.6894 36.3907 46.5703
|
| 135 |
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S 55.6703 36.3781 46.5429
|
| 136 |
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S 55.6173 36.4052 46.5015
|
| 137 |
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S 55.5728 36.4254 46.4412
|
| 138 |
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S 55.5643 36.4662 46.4990
|
| 139 |
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S 55.5026 36.5103 46.5462
|
| 140 |
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S 55.4073 36.5091 46.5807
|
| 141 |
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S 55.3086 36.4798 46.5867
|
| 142 |
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S 55.2587 36.5156 46.6528
|
| 143 |
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S 55.1928 36.5670 46.6441
|
| 144 |
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S 55.1101 36.5240 46.5748
|
| 145 |
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S 55.1314 36.4161 46.6068
|
| 146 |
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S 55.2442 36.3293 46.6662
|
| 147 |
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S 55.3090 36.2476 46.7278
|
| 148 |
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S 55.3808 36.1437 46.7887
|
| 149 |
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|
| 150 |
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|
| 151 |
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| 152 |
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|
| 153 |
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|
| 154 |
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S 55.7735 35.1250 46.3489
|
2yki_ligand_17AAG_218_dock1/MCpath37.xyz
ADDED
|
@@ -0,0 +1,58 @@
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|
| 1 |
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56
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| 2 |
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56
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| 3 |
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| 4 |
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| 9 |
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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 23 |
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| 24 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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S 53.4439 38.2465 48.3061
|
| 33 |
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|
| 34 |
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| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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| 44 |
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| 45 |
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| 46 |
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S 53.2559 38.5621 48.3638
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| 47 |
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| 48 |
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| 49 |
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|
| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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|
2yki_ligand_17AAG_218_dock1/MCpath38.xyz
ADDED
|
@@ -0,0 +1,164 @@
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| 1 |
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162
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| 48 |
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| 49 |
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| 152 |
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S 53.3774 38.5049 48.7177
|
| 153 |
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| 154 |
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| 155 |
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| 156 |
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| 157 |
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| 158 |
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| 159 |
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| 160 |
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| 161 |
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| 162 |
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| 163 |
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| 164 |
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|
2yki_ligand_17AAG_218_dock1/MCpath39.xyz
ADDED
|
@@ -0,0 +1,120 @@
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| 1 |
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118
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| 2 |
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118
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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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| 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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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 39 |
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| 40 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 53 |
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| 56 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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2yki_ligand_17AAG_218_dock1/MCpath4.xyz
ADDED
|
@@ -0,0 +1,159 @@
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| 1 |
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157
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2yki_ligand_17AAG_218_dock1/MCpath40.xyz
ADDED
|
@@ -0,0 +1,263 @@
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| 1 |
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2yki_ligand_17AAG_218_dock1/MCpath41.xyz
ADDED
|
@@ -0,0 +1,167 @@
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| 1 |
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165
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2yki_ligand_17AAG_218_dock1/MCpath42.xyz
ADDED
|
@@ -0,0 +1,268 @@
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| 268 |
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|
2yki_ligand_17AAG_218_dock1/MCpath43.xyz
ADDED
|
@@ -0,0 +1,112 @@
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2yki_ligand_17AAG_218_dock1/MCpath44.xyz
ADDED
|
@@ -0,0 +1,125 @@
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| 1 |
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123
|
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| 40 |
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| 44 |
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| 45 |
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| 46 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 57 |
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| 58 |
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| 93 |
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|
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| 96 |
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| 99 |
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| 100 |
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| 101 |
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| 102 |
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| 103 |
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|
| 105 |
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|
| 106 |
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|
| 107 |
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|
| 108 |
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|
| 109 |
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|
| 110 |
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|
| 111 |
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|
| 112 |
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|
| 113 |
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|
| 114 |
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|
| 115 |
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|
| 116 |
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| 117 |
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| 118 |
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| 119 |
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| 120 |
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| 121 |
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| 123 |
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| 124 |
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|
| 125 |
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|
2yki_ligand_17AAG_218_dock1/MCpath45.xyz
ADDED
|
@@ -0,0 +1,111 @@
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| 1 |
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| 28 |
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| 29 |
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| 68 |
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| 72 |
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| 75 |
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| 76 |
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| 77 |
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| 78 |
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| 79 |
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| 80 |
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| 86 |
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| 87 |
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| 88 |
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| 92 |
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| 94 |
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| 97 |
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| 106 |
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| 109 |
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| 110 |
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| 111 |
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|
2yki_ligand_17AAG_218_dock1/MCpath46.xyz
ADDED
|
@@ -0,0 +1,72 @@
|
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|
| 1 |
+
70
|
| 2 |
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70
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| 3 |
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| 4 |
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| 7 |
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| 8 |
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| 11 |
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| 12 |
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| 13 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 22 |
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| 23 |
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| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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| 33 |
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| 34 |
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| 37 |
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| 38 |
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| 40 |
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| 41 |
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| 43 |
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| 56 |
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| 57 |
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|
| 58 |
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S 54.9504 38.1356 47.3320
|
| 59 |
+
S 55.0035 37.9433 47.3664
|
| 60 |
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S 54.9285 37.7247 47.3146
|
| 61 |
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S 54.8524 37.5552 47.2418
|
| 62 |
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|
| 63 |
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S 54.6179 37.2557 47.2357
|
| 64 |
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S 54.5226 37.1559 47.3150
|
| 65 |
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S 54.4459 37.1136 47.3952
|
| 66 |
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S 54.3249 37.1551 47.5102
|
| 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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|
2yki_ligand_17AAG_218_dock1/MCpath47.xyz
ADDED
|
@@ -0,0 +1,146 @@
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| 1 |
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144
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| 2 |
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144
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| 4 |
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| 32 |
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| 33 |
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| 41 |
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| 70 |
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| 76 |
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| 146 |
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|
2yki_ligand_17AAG_218_dock1/MCpath48.xyz
ADDED
|
@@ -0,0 +1,119 @@
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| 1 |
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117
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| 2 |
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117
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| 42 |
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| 43 |
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| 44 |
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| 59 |
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| 60 |
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| 61 |
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S 54.7616 38.3658 46.3422
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| 62 |
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S 54.7360 38.3028 46.2490
|
| 63 |
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S 54.7187 38.2406 46.1810
|
| 64 |
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S 54.7365 38.1919 46.2511
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| 65 |
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| 66 |
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| 67 |
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|
| 68 |
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| 69 |
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|
| 70 |
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|
| 71 |
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S 54.3993 37.8458 46.5869
|
| 72 |
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| 73 |
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| 74 |
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| 75 |
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| 76 |
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| 77 |
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S 54.4553 37.1628 46.7927
|
| 78 |
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|
| 79 |
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| 80 |
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|
| 81 |
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|
| 82 |
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S 54.7932 36.5687 46.2653
|
| 83 |
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S 54.9103 36.4285 46.1545
|
| 84 |
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S 54.9523 36.2648 46.0016
|
| 85 |
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S 55.0293 36.1221 45.8581
|
| 86 |
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S 55.1213 36.0366 45.6995
|
| 87 |
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S 55.1809 35.9307 45.5800
|
| 88 |
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S 55.2706 35.8022 45.5106
|
| 89 |
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S 55.3513 35.7310 45.4875
|
| 90 |
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S 55.4637 35.6665 45.5155
|
| 91 |
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S 55.5753 35.6040 45.5916
|
| 92 |
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S 55.6058 35.5949 45.5499
|
| 93 |
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S 55.6044 35.6370 45.4222
|
| 94 |
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S 55.6448 35.6513 45.3957
|
| 95 |
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S 55.6402 35.6527 45.4012
|
| 96 |
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S 55.6308 35.6489 45.3144
|
| 97 |
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S 55.6563 35.6400 45.2264
|
| 98 |
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S 55.7228 35.6685 45.1731
|
| 99 |
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S 55.7827 35.6815 45.2257
|
| 100 |
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S 55.8039 35.6906 45.3205
|
| 101 |
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S 55.7844 35.6784 45.3882
|
| 102 |
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S 55.7070 35.5850 45.4151
|
| 103 |
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S 55.6077 35.4979 45.4344
|
| 104 |
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S 55.5246 35.4521 45.4294
|
| 105 |
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S 55.4828 35.4106 45.3823
|
| 106 |
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S 55.4604 35.3931 45.3259
|
| 107 |
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S 55.4085 35.4105 45.3147
|
| 108 |
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S 55.4192 35.4028 45.3734
|
| 109 |
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S 55.5296 35.3456 45.4329
|
| 110 |
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S 55.6158 35.3066 45.4876
|
| 111 |
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S 55.7001 35.3141 45.5727
|
| 112 |
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S 55.7944 35.3126 45.5896
|
| 113 |
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S 55.7235 35.3020 45.5885
|
| 114 |
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S 55.6285 35.2894 45.5806
|
| 115 |
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|
| 116 |
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|
| 117 |
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|
| 118 |
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|
| 119 |
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|
2yki_ligand_17AAG_218_dock1/MCpath49.xyz
ADDED
|
@@ -0,0 +1,88 @@
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|
| 1 |
+
86
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| 2 |
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86
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| 12 |
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| 13 |
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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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| 26 |
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| 27 |
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|
| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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S 54.7772 40.4246 48.0733
|
| 33 |
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|
| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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|
| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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|
| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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| 68 |
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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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S 53.7939 37.3500 47.7112
|
| 74 |
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S 53.9667 37.0757 47.6681
|
| 75 |
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|
| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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| 85 |
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| 86 |
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| 87 |
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|
| 88 |
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S 54.6186 36.1289 48.6031
|
2yki_ligand_17AAG_218_dock1/MCpath5.xyz
ADDED
|
@@ -0,0 +1,63 @@
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| 1 |
+
61
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| 2 |
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61
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| 14 |
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| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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2yki_ligand_17AAG_218_dock1/MCpath50.xyz
ADDED
|
@@ -0,0 +1,111 @@
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+
109
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109
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|
| 4 |
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S 52.9264 40.3718 48.1281
|
| 5 |
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|
| 6 |
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S 52.9249 40.5729 48.0389
|
| 7 |
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S 52.9041 40.6508 48.0291
|
| 8 |
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S 52.9021 40.7361 47.9965
|
| 9 |
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S 52.8198 40.7408 47.9984
|
| 10 |
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S 52.7547 40.6829 48.1011
|
| 11 |
+
S 52.6799 40.6186 48.1498
|
| 12 |
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|
| 13 |
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S 52.6062 40.4466 48.2544
|
| 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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S 52.0685 40.6491 48.6058
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| 23 |
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S 52.0319 40.6715 48.6919
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| 24 |
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| 25 |
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|
| 26 |
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S 52.1120 40.8994 48.8627
|
| 27 |
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S 52.0941 40.8411 48.9908
|
| 28 |
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S 52.0964 40.7633 49.1047
|
| 29 |
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S 52.1009 40.6855 49.1767
|
| 30 |
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S 52.1846 40.6302 49.2589
|
| 31 |
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S 52.2541 40.5947 49.3048
|
| 32 |
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S 52.3300 40.5700 49.2988
|
| 33 |
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S 52.4123 40.5588 49.3809
|
| 34 |
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S 52.4297 40.6132 49.3693
|
| 35 |
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S 52.3968 40.6492 49.4798
|
| 36 |
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S 52.3824 40.7096 49.5845
|
| 37 |
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S 52.3891 40.7320 49.6577
|
| 38 |
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S 52.3922 40.7530 49.6438
|
| 39 |
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S 52.3817 40.7509 49.5907
|
| 40 |
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S 52.3983 40.7258 49.4986
|
| 41 |
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S 52.4245 40.6832 49.4219
|
| 42 |
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S 52.5313 40.6386 49.4137
|
| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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S 52.5894 40.5750 49.6959
|
| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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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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S 54.4552 39.7858 48.1299
|
| 77 |
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S 54.5601 39.7793 48.1817
|
| 78 |
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|
| 79 |
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S 54.7470 39.6186 48.2093
|
| 80 |
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S 54.7920 39.5653 48.1464
|
| 81 |
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S 54.7302 39.5292 48.1348
|
| 82 |
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S 54.7229 39.4321 48.1682
|
| 83 |
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S 54.7395 39.3132 48.1923
|
| 84 |
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S 54.7497 39.1666 48.1760
|
| 85 |
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S 54.7737 39.0181 48.2062
|
| 86 |
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S 54.8202 38.8021 48.2054
|
| 87 |
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S 54.7911 38.5460 48.1612
|
| 88 |
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S 54.7183 38.2222 48.1604
|
| 89 |
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S 54.6587 37.9320 48.1529
|
| 90 |
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S 54.5540 37.6487 48.1099
|
| 91 |
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S 54.4801 37.3904 48.0743
|
| 92 |
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|
| 93 |
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S 54.3934 37.0712 48.0303
|
| 94 |
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|
| 95 |
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|
| 96 |
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|
| 97 |
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|
| 98 |
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|
| 99 |
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S 54.3723 36.9754 48.0157
|
| 100 |
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S 54.3670 36.9749 48.1425
|
| 101 |
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|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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S 54.2497 36.6697 48.5098
|
| 106 |
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|
| 107 |
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|
| 108 |
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|
| 109 |
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|
| 110 |
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|
| 111 |
+
S 54.4542 36.1105 48.2886
|
2yki_ligand_17AAG_218_dock1/MCpath6.xyz
ADDED
|
@@ -0,0 +1,99 @@
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|
| 1 |
+
97
|
| 2 |
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97
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| 3 |
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| 4 |
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| 13 |
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| 15 |
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| 16 |
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|
| 17 |
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| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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|
| 29 |
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|
| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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|
| 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 53.8225 39.6815 47.4044
|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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|
| 64 |
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S 53.6891 37.2984 47.4101
|
| 65 |
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S 53.7515 37.3554 47.4674
|
| 66 |
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S 53.7787 37.4712 47.4875
|
| 67 |
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S 53.8226 37.6245 47.4092
|
| 68 |
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S 53.8307 37.7724 47.3793
|
| 69 |
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S 53.8466 37.8557 47.4244
|
| 70 |
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S 53.8411 37.9417 47.4252
|
| 71 |
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S 53.7789 38.0701 47.5045
|
| 72 |
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S 53.6854 38.1580 47.6133
|
| 73 |
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S 53.5550 38.1092 47.6952
|
| 74 |
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S 53.4887 38.0314 47.7907
|
| 75 |
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S 53.4484 37.9350 47.8138
|
| 76 |
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S 53.4271 37.8274 47.7931
|
| 77 |
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S 53.4198 37.7995 47.7641
|
| 78 |
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S 53.4043 37.8065 47.6417
|
| 79 |
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S 53.3140 37.7836 47.6578
|
| 80 |
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S 53.2151 37.7366 47.6621
|
| 81 |
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S 53.0950 37.7221 47.6014
|
| 82 |
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S 53.0076 37.7012 47.5682
|
| 83 |
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S 53.0831 37.6649 47.6226
|
| 84 |
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S 53.2449 37.6988 47.7052
|
| 85 |
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S 53.3801 37.7524 47.6588
|
| 86 |
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S 53.4173 37.8059 47.6176
|
| 87 |
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S 53.4337 37.7945 47.6530
|
| 88 |
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S 53.5506 37.7602 47.6332
|
| 89 |
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S 53.6027 37.7402 47.6429
|
| 90 |
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S 53.6327 37.7569 47.6575
|
| 91 |
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S 53.6393 37.8172 47.6134
|
| 92 |
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S 53.6150 37.8249 47.5753
|
| 93 |
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S 53.5589 37.7509 47.6085
|
| 94 |
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S 53.5512 37.6818 47.7495
|
| 95 |
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S 53.5591 37.6466 47.8097
|
| 96 |
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S 53.5335 37.5231 47.7997
|
| 97 |
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S 53.5533 37.3867 47.7928
|
| 98 |
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S 53.6097 37.2255 47.7315
|
| 99 |
+
S 53.6257 36.9911 47.6635
|
2yki_ligand_17AAG_218_dock1/MCpath7.xyz
ADDED
|
@@ -0,0 +1,242 @@
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| 1 |
+
240
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| 2 |
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240
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| 3 |
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| 4 |
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| 23 |
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| 24 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 99 |
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| 100 |
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| 101 |
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| 104 |
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| 105 |
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| 106 |
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| 110 |
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| 163 |
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| 164 |
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| 165 |
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| 166 |
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| 170 |
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| 190 |
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| 191 |
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| 192 |
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| 193 |
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| 194 |
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| 195 |
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| 196 |
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| 197 |
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| 200 |
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| 201 |
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| 202 |
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|
| 203 |
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|
| 204 |
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S 55.6770 38.0595 46.5191
|
| 205 |
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S 55.7377 37.8885 46.4013
|
| 206 |
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S 55.6891 37.7072 46.3462
|
| 207 |
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S 55.6808 37.5687 46.4242
|
| 208 |
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S 55.6686 37.4220 46.5096
|
| 209 |
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S 55.6059 37.2125 46.5687
|
| 210 |
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S 55.5241 37.1109 46.7013
|
| 211 |
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S 55.4077 37.1082 46.8260
|
| 212 |
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S 55.2984 37.1001 46.9012
|
| 213 |
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S 55.3097 37.0940 46.8857
|
| 214 |
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|
| 215 |
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|
| 216 |
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|
| 217 |
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S 55.4662 36.8883 46.7986
|
| 218 |
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S 55.5391 36.8645 46.7859
|
| 219 |
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S 55.6783 36.9149 46.7580
|
| 220 |
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S 55.7442 36.9762 46.7519
|
| 221 |
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S 55.7932 37.0334 46.7671
|
| 222 |
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S 55.8117 37.0650 46.7594
|
| 223 |
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S 55.7820 37.0286 46.7762
|
| 224 |
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S 55.7008 36.9657 46.7279
|
| 225 |
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S 55.5709 36.8569 46.6493
|
| 226 |
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S 55.4270 36.7239 46.5864
|
| 227 |
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S 55.3370 36.5411 46.4384
|
| 228 |
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S 55.3337 36.3930 46.3295
|
| 229 |
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S 55.4232 36.2378 46.3536
|
| 230 |
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S 55.5237 36.1025 46.4095
|
| 231 |
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S 55.6066 35.9784 46.3700
|
| 232 |
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S 55.7455 35.8612 46.3123
|
| 233 |
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S 55.8563 35.7659 46.2528
|
| 234 |
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S 56.0455 35.6748 46.2939
|
| 235 |
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S 56.3247 35.5765 46.3969
|
| 236 |
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S 56.6102 35.4533 46.4179
|
| 237 |
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S 56.8354 35.3020 46.3684
|
| 238 |
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S 57.0687 35.1666 46.3800
|
| 239 |
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S 57.2811 35.1575 46.4572
|
| 240 |
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S 57.5033 35.2417 46.5726
|
| 241 |
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S 57.6820 35.2363 46.6663
|
| 242 |
+
S 57.7853 35.1240 46.6833
|
2yki_ligand_17AAG_218_dock1/MCpath8.xyz
ADDED
|
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| 1 |
+
133
|
| 2 |
+
133
|
| 3 |
+
S 53.2519 39.9998 48.3351
|
| 4 |
+
S 53.3048 40.0776 48.3080
|
| 5 |
+
S 53.3062 40.1133 48.2986
|
| 6 |
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S 53.3337 40.0989 48.2748
|
| 7 |
+
S 53.3150 40.1417 48.2791
|
| 8 |
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S 53.3858 40.1036 48.3290
|
| 9 |
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S 53.4891 40.0509 48.3705
|
| 10 |
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S 53.6066 40.0104 48.3798
|
| 11 |
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S 53.6562 39.9152 48.4190
|
| 12 |
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S 53.6395 39.9144 48.5394
|
| 13 |
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S 53.6067 39.9425 48.6042
|
| 14 |
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S 53.5618 39.9051 48.6283
|
| 15 |
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S 53.4731 39.7785 48.5835
|
| 16 |
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S 53.3862 39.6369 48.5072
|
| 17 |
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S 53.3416 39.5381 48.4240
|
| 18 |
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S 53.3254 39.4369 48.3117
|
| 19 |
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S 53.3305 39.2826 48.2590
|
| 20 |
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S 53.3332 39.1423 48.2783
|
| 21 |
+
S 53.3248 39.1184 48.3077
|
| 22 |
+
S 53.3530 39.1391 48.2998
|
| 23 |
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S 53.3960 39.1362 48.3359
|
| 24 |
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S 53.4099 39.0956 48.3802
|
| 25 |
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S 53.3879 39.0903 48.3985
|
| 26 |
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S 53.2851 39.1171 48.3626
|
| 27 |
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S 53.2172 39.1213 48.3020
|
| 28 |
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S 53.1730 39.1052 48.2754
|
| 29 |
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S 53.1342 39.1515 48.2119
|
| 30 |
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S 53.1348 39.2041 48.2152
|
| 31 |
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S 53.2040 39.2806 48.2142
|
| 32 |
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S 53.2682 39.3386 48.1587
|
| 33 |
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S 53.3481 39.3418 48.1852
|
| 34 |
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S 53.4546 39.3647 48.2691
|
| 35 |
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S 53.5184 39.3730 48.3664
|
| 36 |
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S 53.4896 39.3480 48.4744
|
| 37 |
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S 53.4409 39.3733 48.5194
|
| 38 |
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S 53.4787 39.4627 48.4902
|
| 39 |
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S 53.4850 39.5148 48.4186
|
| 40 |
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S 53.5655 39.5049 48.4723
|
| 41 |
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S 53.6094 39.4917 48.5069
|
| 42 |
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S 53.6005 39.4725 48.5163
|
| 43 |
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S 53.6111 39.4026 48.5539
|
| 44 |
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S 53.6392 39.3566 48.5243
|
| 45 |
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S 53.6627 39.3682 48.5104
|
| 46 |
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S 53.6400 39.3761 48.5147
|
| 47 |
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S 53.6809 39.3848 48.5821
|
| 48 |
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S 53.7147 39.4483 48.5642
|
| 49 |
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S 53.7149 39.5579 48.6315
|
| 50 |
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S 53.7303 39.6649 48.6364
|
| 51 |
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S 53.7243 39.8223 48.5751
|
| 52 |
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S 53.6567 39.9361 48.5109
|
| 53 |
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S 53.6316 40.0032 48.4861
|
| 54 |
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S 53.5961 40.0462 48.4552
|
| 55 |
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S 53.5800 40.0271 48.3632
|
| 56 |
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S 53.5673 40.0423 48.3437
|
| 57 |
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S 53.5218 40.0124 48.3946
|
| 58 |
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S 53.4370 39.9108 48.3851
|
| 59 |
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S 53.3896 39.8148 48.4253
|
| 60 |
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S 53.3304 39.7215 48.5710
|
| 61 |
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S 53.3150 39.6725 48.6824
|
| 62 |
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S 53.3131 39.6332 48.6804
|
| 63 |
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S 53.2641 39.5459 48.5895
|
| 64 |
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S 53.1432 39.4720 48.4800
|
| 65 |
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S 53.0740 39.4456 48.4435
|
| 66 |
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S 53.0415 39.4187 48.5124
|
| 67 |
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S 53.0532 39.3440 48.5750
|
| 68 |
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S 53.0453 39.2521 48.5241
|
| 69 |
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S 53.0973 39.1422 48.3963
|
| 70 |
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S 53.2256 39.0568 48.2829
|
| 71 |
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S 53.3869 38.7345 48.1754
|
| 72 |
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S 53.4738 38.1670 48.0302
|
| 73 |
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S 53.5589 37.6181 47.9790
|
| 74 |
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S 53.6958 37.2276 47.9910
|
| 75 |
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S 53.8779 36.9677 47.9997
|
| 76 |
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S 53.9917 36.8956 48.0012
|
| 77 |
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S 54.0776 36.9835 48.1046
|
| 78 |
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S 54.1106 37.1700 48.1160
|
| 79 |
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S 54.1454 37.3176 48.1507
|
| 80 |
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S 54.2452 37.4002 48.2354
|
| 81 |
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S 54.3817 37.4136 48.2821
|
| 82 |
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S 54.4737 37.3080 48.3061
|
| 83 |
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S 54.5239 37.1849 48.3017
|
| 84 |
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S 54.5936 37.0255 48.2875
|
| 85 |
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S 54.6537 36.8242 48.1760
|
| 86 |
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S 54.7087 36.5756 48.1102
|
| 87 |
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S 54.8116 36.3296 48.0626
|
| 88 |
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S 54.8599 36.1377 47.9460
|
| 89 |
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S 54.9061 36.1074 47.8169
|
| 90 |
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S 54.9441 36.1402 47.8210
|
| 91 |
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S 55.0329 36.2586 47.9009
|
| 92 |
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S 55.1048 36.3503 47.9003
|
| 93 |
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S 55.2161 36.4023 47.8670
|
| 94 |
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S 55.3247 36.4688 47.7293
|
| 95 |
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S 55.4593 36.6154 47.5413
|
| 96 |
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S 55.5646 36.8106 47.3936
|
| 97 |
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S 55.6158 36.9985 47.2031
|
| 98 |
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S 55.6603 37.1937 47.0275
|
| 99 |
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S 55.6954 37.4247 46.8692
|
| 100 |
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S 55.6218 37.6124 46.7539
|
| 101 |
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S 55.5326 37.7691 46.6295
|
| 102 |
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S 55.4312 37.9092 46.5308
|
| 103 |
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S 55.3168 37.9609 46.4033
|
| 104 |
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S 55.1758 37.9016 46.2721
|
| 105 |
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S 55.1566 37.8707 46.1926
|
| 106 |
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S 55.1777 37.8445 46.2644
|
| 107 |
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S 55.2289 37.7846 46.3285
|
| 108 |
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S 55.2888 37.7801 46.3204
|
| 109 |
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S 55.3502 37.7281 46.3434
|
| 110 |
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S 55.4221 37.6358 46.3902
|
| 111 |
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S 55.5316 37.4663 46.4255
|
| 112 |
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S 55.5933 37.2446 46.3609
|
| 113 |
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S 55.6163 37.0457 46.2363
|
| 114 |
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S 55.5858 36.8256 46.1049
|
| 115 |
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S 55.5907 36.5845 46.0309
|
| 116 |
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S 55.6856 36.3464 46.0345
|
| 117 |
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S 55.6963 36.1127 46.1039
|
| 118 |
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S 55.6990 35.9107 46.2458
|
| 119 |
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S 55.7200 35.7381 46.4245
|
| 120 |
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S 55.7528 35.6435 46.5861
|
| 121 |
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S 55.7985 35.6096 46.6341
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| 122 |
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S 55.8674 35.6901 46.6539
|
| 123 |
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S 55.9676 35.8245 46.6455
|
| 124 |
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S 56.0703 35.9170 46.6124
|
| 125 |
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S 56.1577 35.9355 46.5359
|
| 126 |
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S 56.2194 35.9468 46.4575
|
| 127 |
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S 56.3183 35.9421 46.3682
|
| 128 |
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S 56.4214 35.8893 46.3321
|
| 129 |
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S 56.5086 35.8240 46.3441
|
| 130 |
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S 56.5985 35.7237 46.4199
|
| 131 |
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S 56.7310 35.5508 46.4216
|
| 132 |
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S 56.8067 35.3564 46.4227
|
| 133 |
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S 56.8577 35.2164 46.3880
|
| 134 |
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S 56.8963 35.1925 46.3119
|
| 135 |
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S 56.9341 35.1437 46.3032
|