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- .gitattributes +50 -0
- 1efc_ligand_GTPYs_690_dock/MCpath1.xyz +255 -0
- 1efc_ligand_GTPYs_690_dock/MCpath10.xyz +228 -0
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- 1efc_ligand_GTPYs_690_dock/MCpath2.xyz +122 -0
- 1efc_ligand_GTPYs_690_dock/MCpath20.xyz +253 -0
- 1efc_ligand_GTPYs_690_dock/MCpath21.xyz +272 -0
- 1efc_ligand_GTPYs_690_dock/MCpath22.xyz +147 -0
- 1efc_ligand_GTPYs_690_dock/MCpath23.xyz +273 -0
- 1efc_ligand_GTPYs_690_dock/MCpath24.xyz +188 -0
- 1efc_ligand_GTPYs_690_dock/MCpath25.xyz +301 -0
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- 1efc_ligand_GTPYs_690_dock/MCpath30.xyz +269 -0
- 1efc_ligand_GTPYs_690_dock/MCpath31.xyz +235 -0
- 1efc_ligand_GTPYs_690_dock/MCpath32.xyz +265 -0
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- 1efc_ligand_GTPYs_690_dock/MCpath36.xyz +209 -0
- 1efc_ligand_GTPYs_690_dock/MCpath37.xyz +208 -0
- 1efc_ligand_GTPYs_690_dock/MCpath38.xyz +251 -0
- 1efc_ligand_GTPYs_690_dock/MCpath39.xyz +195 -0
- 1efc_ligand_GTPYs_690_dock/MCpath4.xyz +290 -0
- 1efc_ligand_GTPYs_690_dock/MCpath40.xyz +296 -0
- 1efc_ligand_GTPYs_690_dock/MCpath41.xyz +273 -0
- 1efc_ligand_GTPYs_690_dock/MCpath42.xyz +250 -0
- 1efc_ligand_GTPYs_690_dock/MCpath43.xyz +249 -0
- 1efc_ligand_GTPYs_690_dock/MCpath44.xyz +267 -0
- 1efc_ligand_GTPYs_690_dock/MCpath45.xyz +266 -0
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- 1efc_ligand_GTPYs_690_dock/MCpath49.xyz +301 -0
- 1efc_ligand_GTPYs_690_dock/MCpath5.xyz +187 -0
- 1efc_ligand_GTPYs_690_dock/MCpath50.xyz +267 -0
- 1efc_ligand_GTPYs_690_dock/MCpath6.xyz +261 -0
- 1efc_ligand_GTPYs_690_dock/MCpath7.xyz +293 -0
- 1efc_ligand_GTPYs_690_dock/MCpath8.xyz +264 -0
.gitattributes
CHANGED
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| 4079 |
1ec2_ligand_b439_755_dock/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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1ec2_ligand_b439_755_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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1ec2_ligand_b439_755_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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| 4079 |
1ec2_ligand_b439_755_dock/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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| 4080 |
1ec2_ligand_b439_755_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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| 4081 |
1ec2_ligand_b439_755_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig27.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig37.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig38.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig4.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig40.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig41.h5md filter=lfs diff=lfs merge=lfs -text
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| 4118 |
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1efc_ligand_GTPYs_690_dock/Pro_lig42.h5md filter=lfs diff=lfs merge=lfs -text
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| 4119 |
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1efc_ligand_GTPYs_690_dock/Pro_lig43.h5md filter=lfs diff=lfs merge=lfs -text
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| 4120 |
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1efc_ligand_GTPYs_690_dock/Pro_lig44.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig45.h5md filter=lfs diff=lfs merge=lfs -text
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| 4122 |
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1efc_ligand_GTPYs_690_dock/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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| 4123 |
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1efc_ligand_GTPYs_690_dock/Pro_lig47.h5md filter=lfs diff=lfs merge=lfs -text
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| 4124 |
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1efc_ligand_GTPYs_690_dock/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
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| 4125 |
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1efc_ligand_GTPYs_690_dock/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig50.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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1efc_ligand_GTPYs_690_dock/MCpath1.xyz
ADDED
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| 1 |
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1efc_ligand_GTPYs_690_dock/MCpath10.xyz
ADDED
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| 1 |
+
226
|
| 2 |
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226
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| 3 |
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| 24 |
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| 25 |
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| 26 |
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| 28 |
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| 29 |
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| 30 |
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| 228 |
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|
1efc_ligand_GTPYs_690_dock/MCpath11.xyz
ADDED
|
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|
| 1 |
+
260
|
| 2 |
+
260
|
| 3 |
+
S 42.5945 51.1556 92.7915
|
| 4 |
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S 42.4969 51.1410 92.7339
|
| 5 |
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|
| 6 |
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S 42.4289 51.1322 92.7315
|
| 7 |
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|
| 8 |
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|
| 9 |
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S 42.5584 51.2124 92.9066
|
| 10 |
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|
| 11 |
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S 42.7640 51.2009 92.9395
|
| 12 |
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S 42.6796 51.1541 92.9491
|
| 13 |
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S 42.5776 51.1536 93.0264
|
| 14 |
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S 42.5188 51.2405 93.0095
|
| 15 |
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S 42.4935 51.2809 92.9157
|
| 16 |
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S 42.4875 51.3527 92.8871
|
| 17 |
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S 42.4436 51.4586 92.8902
|
| 18 |
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S 42.4417 51.5125 92.9541
|
| 19 |
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S 42.5136 51.5440 93.0164
|
| 20 |
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|
1efc_ligand_GTPYs_690_dock/MCpath12.xyz
ADDED
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| 1 |
+
229
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| 2 |
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229
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| 3 |
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| 211 |
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| 212 |
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|
| 213 |
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|
| 214 |
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|
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|
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|
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| 218 |
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|
| 219 |
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|
| 220 |
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|
| 221 |
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|
| 222 |
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|
| 223 |
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|
| 224 |
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|
| 225 |
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|
| 226 |
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|
| 227 |
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|
| 228 |
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|
| 229 |
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|
| 230 |
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|
| 231 |
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|
1efc_ligand_GTPYs_690_dock/MCpath13.xyz
ADDED
|
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| 1 |
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262
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|
| 255 |
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| 260 |
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| 264 |
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|
1efc_ligand_GTPYs_690_dock/MCpath14.xyz
ADDED
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| 1 |
+
253
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| 2 |
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253
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| 3 |
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| 222 |
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| 223 |
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|
| 224 |
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| 225 |
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| 226 |
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| 227 |
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| 228 |
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| 229 |
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| 230 |
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| 231 |
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| 232 |
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|
| 233 |
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|
| 234 |
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S 41.5552 52.5319 101.5980
|
| 235 |
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S 41.4466 52.6205 101.6248
|
| 236 |
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S 41.3611 52.6469 101.6738
|
| 237 |
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S 41.2699 52.6304 101.7092
|
| 238 |
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S 41.3113 52.6071 101.7043
|
| 239 |
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|
| 240 |
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|
| 241 |
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S 41.3761 52.5688 101.9243
|
| 242 |
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S 41.5273 52.5370 101.9395
|
| 243 |
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S 41.5635 52.4876 101.9775
|
| 244 |
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S 41.5892 52.4186 102.0208
|
| 245 |
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S 41.6146 52.4097 102.1410
|
| 246 |
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S 41.6664 52.3887 102.2102
|
| 247 |
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S 41.5801 52.4107 102.2808
|
| 248 |
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S 41.5316 52.3910 102.3668
|
| 249 |
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S 41.5389 52.4123 102.4894
|
| 250 |
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S 41.5637 52.3860 102.6041
|
| 251 |
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S 41.7049 52.4505 102.5551
|
| 252 |
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S 41.7827 52.4452 102.5245
|
| 253 |
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S 41.8347 52.4194 102.4996
|
| 254 |
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S 41.9015 52.4194 102.5156
|
| 255 |
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S 41.8977 52.4252 102.5741
|
1efc_ligand_GTPYs_690_dock/MCpath15.xyz
ADDED
|
@@ -0,0 +1,225 @@
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| 1 |
+
223
|
| 2 |
+
223
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| 3 |
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| 4 |
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| 5 |
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| 14 |
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| 15 |
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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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|
| 35 |
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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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| 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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| 74 |
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| 75 |
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| 76 |
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| 77 |
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| 78 |
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| 79 |
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| 80 |
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| 81 |
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| 82 |
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| 83 |
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| 84 |
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| 86 |
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| 87 |
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| 88 |
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| 89 |
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| 90 |
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| 91 |
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| 92 |
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| 93 |
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| 94 |
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| 95 |
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| 96 |
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| 103 |
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| 104 |
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| 105 |
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| 106 |
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| 109 |
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| 110 |
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| 112 |
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| 128 |
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| 143 |
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| 150 |
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| 173 |
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| 175 |
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| 176 |
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| 183 |
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| 187 |
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|
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| 190 |
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| 192 |
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| 193 |
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|
| 194 |
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| 195 |
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|
| 196 |
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|
| 197 |
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| 198 |
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| 199 |
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| 200 |
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| 201 |
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| 202 |
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|
| 203 |
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|
| 204 |
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S 41.4847 54.6327 101.0773
|
| 205 |
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S 41.4851 54.6128 101.1046
|
| 206 |
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S 41.4862 54.5416 101.0823
|
| 207 |
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S 41.4499 54.4190 101.0399
|
| 208 |
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S 41.4543 54.3294 101.0373
|
| 209 |
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S 41.5473 54.3220 101.0791
|
| 210 |
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S 41.6098 54.3374 101.1621
|
| 211 |
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S 41.6557 54.3433 101.2944
|
| 212 |
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S 41.6912 54.2892 101.3809
|
| 213 |
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S 41.6679 54.2060 101.4137
|
| 214 |
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S 41.7496 54.1719 101.4622
|
| 215 |
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S 41.8199 54.2238 101.5772
|
| 216 |
+
S 41.7932 54.2926 101.7299
|
| 217 |
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S 41.7637 54.2678 101.8132
|
| 218 |
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S 41.8062 54.2300 101.8026
|
| 219 |
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S 41.8495 54.3155 101.8474
|
| 220 |
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S 41.9438 54.4440 101.9251
|
| 221 |
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S 41.9269 54.4982 101.9491
|
| 222 |
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S 41.9367 54.4418 101.9927
|
| 223 |
+
S 41.9134 54.2882 102.1903
|
| 224 |
+
S 41.9302 54.1449 102.4053
|
| 225 |
+
S 41.9308 54.1055 102.5855
|
1efc_ligand_GTPYs_690_dock/MCpath16.xyz
ADDED
|
@@ -0,0 +1,247 @@
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| 1 |
+
245
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| 2 |
+
245
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| 3 |
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| 4 |
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| 243 |
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| 244 |
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| 245 |
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| 246 |
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| 247 |
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1efc_ligand_GTPYs_690_dock/MCpath17.xyz
ADDED
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@@ -0,0 +1,256 @@
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| 1 |
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254
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| 2 |
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254
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1efc_ligand_GTPYs_690_dock/MCpath18.xyz
ADDED
|
@@ -0,0 +1,276 @@
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| 1 |
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1efc_ligand_GTPYs_690_dock/MCpath19.xyz
ADDED
|
@@ -0,0 +1,218 @@
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| 1 |
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216
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S 42.4125 54.9590 98.2704
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| 148 |
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S 42.4480 55.1054 98.4250
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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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| 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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| 163 |
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| 164 |
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| 170 |
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| 171 |
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| 172 |
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| 173 |
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| 179 |
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| 180 |
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| 182 |
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| 183 |
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| 184 |
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| 185 |
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| 186 |
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| 187 |
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| 188 |
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| 189 |
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| 190 |
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| 191 |
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| 192 |
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| 193 |
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| 194 |
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| 195 |
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| 196 |
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| 198 |
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| 199 |
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| 200 |
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| 201 |
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| 202 |
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| 203 |
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| 205 |
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|
| 206 |
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| 207 |
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| 208 |
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|
| 209 |
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| 210 |
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| 211 |
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|
| 212 |
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|
| 213 |
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| 214 |
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| 215 |
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| 216 |
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| 217 |
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|
| 218 |
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|
1efc_ligand_GTPYs_690_dock/MCpath2.xyz
ADDED
|
@@ -0,0 +1,122 @@
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| 1 |
+
120
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| 2 |
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120
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| 3 |
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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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| 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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| 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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| 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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| 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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|
| 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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| 87 |
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| 88 |
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| 89 |
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|
| 90 |
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|
| 91 |
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|
| 92 |
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| 93 |
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|
| 94 |
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| 95 |
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| 96 |
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| 97 |
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| 101 |
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| 103 |
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| 104 |
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| 105 |
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| 106 |
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| 107 |
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|
| 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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|
| 122 |
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|
1efc_ligand_GTPYs_690_dock/MCpath20.xyz
ADDED
|
@@ -0,0 +1,253 @@
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| 1 |
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251
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251
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| 231 |
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| 233 |
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| 234 |
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| 235 |
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| 236 |
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| 243 |
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|
| 244 |
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|
| 245 |
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|
| 246 |
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|
| 247 |
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| 248 |
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| 249 |
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| 250 |
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| 251 |
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| 252 |
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| 253 |
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|
1efc_ligand_GTPYs_690_dock/MCpath21.xyz
ADDED
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| 1 |
+
270
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| 2 |
+
270
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| 3 |
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| 4 |
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| 272 |
+
S 41.5394 54.3445 102.6122
|
1efc_ligand_GTPYs_690_dock/MCpath22.xyz
ADDED
|
@@ -0,0 +1,147 @@
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| 1 |
+
145
|
| 2 |
+
145
|
| 3 |
+
S 42.5804 51.2646 92.6386
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| 4 |
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S 42.6117 51.1340 92.6855
|
| 5 |
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S 42.6860 51.0235 92.6767
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| 6 |
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S 42.6888 50.9854 92.6242
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| 7 |
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S 42.6201 50.9273 92.5643
|
| 8 |
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S 42.5910 50.9298 92.5357
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| 9 |
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S 42.6367 50.9865 92.4931
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| 10 |
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S 42.6764 51.1120 92.4694
|
| 11 |
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S 42.6541 51.2183 92.4481
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| 12 |
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S 42.6470 51.3255 92.4460
|
| 13 |
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S 42.6044 51.4085 92.5287
|
| 14 |
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S 42.5421 51.3921 92.6276
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| 15 |
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S 42.5148 51.4547 92.7271
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| 16 |
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S 42.5599 51.4497 92.8751
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| 17 |
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S 42.5795 51.4691 93.0856
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| 18 |
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S 42.6098 51.5485 93.2506
|
| 19 |
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S 42.5639 51.6392 93.2647
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| 20 |
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S 42.4912 51.6464 93.4017
|
| 21 |
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S 42.3596 51.7160 93.5138
|
| 22 |
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S 42.3443 51.8077 93.6401
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| 23 |
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S 42.4214 51.8800 93.7600
|
| 24 |
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S 42.4686 51.8850 93.8369
|
| 25 |
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S 42.4853 51.8017 93.9109
|
| 26 |
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S 42.5071 51.6955 93.9295
|
| 27 |
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S 42.5570 51.7058 93.9566
|
| 28 |
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S 42.6164 51.7089 94.0419
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| 29 |
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S 42.6571 51.6789 94.1016
|
| 30 |
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S 42.6580 51.6865 94.1737
|
| 31 |
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S 42.7227 51.7278 94.2317
|
| 32 |
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S 42.7144 51.7958 94.2163
|
| 33 |
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S 42.6511 51.8759 94.2855
|
| 34 |
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S 42.5569 51.9516 94.3436
|
| 35 |
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S 42.5274 52.0539 94.2415
|
| 36 |
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S 42.4461 52.1043 94.1136
|
| 37 |
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S 42.4703 52.1352 94.0157
|
| 38 |
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S 42.5137 52.2372 93.9797
|
| 39 |
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S 42.5166 52.3892 93.9176
|
| 40 |
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S 42.5558 52.6432 93.8985
|
| 41 |
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S 42.5606 52.8164 93.9550
|
| 42 |
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S 42.6068 52.7590 93.9831
|
| 43 |
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S 42.4999 52.6298 93.9973
|
| 44 |
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S 42.4735 52.6633 94.0662
|
| 45 |
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S 42.4277 52.7004 94.1984
|
| 46 |
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S 42.3897 52.6659 94.3138
|
| 47 |
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S 42.5324 52.6972 94.4425
|
| 48 |
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S 42.7414 52.7176 94.5338
|
| 49 |
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S 42.7641 52.6449 94.6357
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| 50 |
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S 42.6751 52.6120 94.7471
|
| 51 |
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S 42.5769 52.5863 94.8728
|
| 52 |
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S 42.5245 52.6372 94.8232
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| 53 |
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S 42.5255 52.6614 94.7964
|
| 54 |
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S 42.5358 52.6781 94.7506
|
| 55 |
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S 42.5637 52.6634 94.6398
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| 56 |
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S 42.5394 52.5691 94.5199
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| 57 |
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S 42.5006 52.6026 94.5123
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| 58 |
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S 42.5371 52.6452 94.6360
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| 59 |
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S 42.5072 52.6731 94.6547
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| 60 |
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S 42.5144 52.6430 94.5901
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| 61 |
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S 42.4947 52.7199 94.4394
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| 62 |
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S 42.3889 52.7720 94.3897
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| 63 |
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S 42.3046 52.8236 94.3065
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| 64 |
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S 42.3508 52.8329 94.3032
|
| 65 |
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S 42.4741 52.9004 94.2653
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| 66 |
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S 42.4413 53.0770 94.1842
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| 67 |
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S 42.4286 53.2685 94.1663
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| 68 |
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S 42.4864 53.4652 94.1878
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| 69 |
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S 42.5531 53.5873 94.1732
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| 70 |
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S 42.5597 53.6248 94.2279
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| 71 |
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S 42.5053 53.6522 94.3339
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| 72 |
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S 42.6229 53.6993 94.3882
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| 73 |
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S 42.7052 53.7519 94.4312
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| 74 |
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S 42.6737 53.7550 94.3911
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| 75 |
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S 42.5848 53.7437 94.3461
|
| 76 |
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S 42.5000 53.7207 94.3674
|
| 77 |
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S 42.4845 53.7204 94.3471
|
| 78 |
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S 42.4708 53.8219 94.3062
|
| 79 |
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S 42.4751 53.8645 94.2657
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| 80 |
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S 42.5273 53.8864 94.2903
|
| 81 |
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S 42.4323 53.8827 94.3285
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| 82 |
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S 42.3786 53.8059 94.4208
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| 83 |
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S 42.3425 53.7636 94.5108
|
| 84 |
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S 42.4359 53.7324 94.5659
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| 85 |
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S 42.4521 53.6459 94.5874
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| 86 |
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S 42.3184 53.7023 94.5923
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| 87 |
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S 42.2144 53.8113 94.5495
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| 88 |
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S 42.1318 53.9759 94.4670
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| 89 |
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S 42.0178 54.1300 94.4269
|
| 90 |
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S 41.8964 54.1474 94.4281
|
| 91 |
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S 41.8680 54.1363 94.3355
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| 92 |
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S 41.8435 54.1305 94.2041
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| 93 |
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S 41.7491 54.1417 94.1229
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| 94 |
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S 41.7425 54.2188 94.1422
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| 95 |
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S 41.7244 54.1678 94.1438
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| 96 |
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S 41.5585 54.1710 94.1117
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| 97 |
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S 41.4982 54.0819 94.1141
|
| 98 |
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S 41.4466 53.9395 94.1293
|
| 99 |
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S 41.4604 53.8065 94.2233
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| 100 |
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S 41.3331 53.7360 94.2719
|
| 101 |
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S 41.1071 53.6515 94.3311
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| 102 |
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S 40.9140 53.5450 94.4290
|
| 103 |
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S 40.7507 53.4274 94.5147
|
| 104 |
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S 40.7135 53.2741 94.5451
|
| 105 |
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S 40.6582 53.2351 94.5568
|
| 106 |
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S 40.6267 53.1312 94.5207
|
| 107 |
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S 40.6007 53.0766 94.4996
|
| 108 |
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S 40.5385 52.9755 94.3794
|
| 109 |
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S 40.5257 52.9616 94.2638
|
| 110 |
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S 40.5068 52.9210 94.1431
|
| 111 |
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S 40.5156 52.7881 94.0218
|
| 112 |
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S 40.6223 52.7114 93.9601
|
| 113 |
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S 40.6563 52.5750 93.9175
|
| 114 |
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S 40.6181 52.4941 93.9329
|
| 115 |
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S 40.6112 52.4138 94.0275
|
| 116 |
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S 40.5631 52.3001 94.0819
|
| 117 |
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S 40.5014 52.1550 94.1303
|
| 118 |
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S 40.4414 52.0757 94.2083
|
| 119 |
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S 40.4406 52.0207 94.3340
|
| 120 |
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S 40.3958 51.9555 94.3852
|
| 121 |
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S 40.4220 51.8828 94.4902
|
| 122 |
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S 40.4245 51.8358 94.5639
|
| 123 |
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S 40.3832 51.7425 94.4871
|
| 124 |
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S 40.4166 51.6768 94.4029
|
| 125 |
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S 40.4367 51.6394 94.3651
|
| 126 |
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S 40.4441 51.5631 94.3195
|
| 127 |
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S 40.5647 51.4874 94.3372
|
| 128 |
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S 40.6679 51.3862 94.4111
|
| 129 |
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S 40.7580 51.3168 94.4822
|
| 130 |
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S 40.9337 51.3117 94.5543
|
| 131 |
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S 40.9057 51.2630 94.5516
|
| 132 |
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S 40.9079 51.2824 94.4563
|
| 133 |
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S 40.8980 51.3303 94.3397
|
| 134 |
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S 40.9070 51.3882 94.2639
|
| 135 |
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S 40.8436 51.3559 94.2117
|
| 136 |
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S 40.8056 51.2499 94.2651
|
| 137 |
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S 40.8094 51.1555 94.3894
|
| 138 |
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S 40.8242 51.2398 94.4452
|
| 139 |
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S 40.7257 51.3910 94.4760
|
| 140 |
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S 40.6926 51.5387 94.5139
|
| 141 |
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S 40.6981 51.5882 94.5074
|
| 142 |
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S 40.7969 51.5631 94.5265
|
| 143 |
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S 40.7786 51.4971 94.4847
|
| 144 |
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S 40.6562 51.4495 94.5022
|
| 145 |
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S 40.5969 51.4121 94.5969
|
| 146 |
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S 40.5746 51.2633 94.6521
|
| 147 |
+
S 40.5660 51.2052 94.6903
|
1efc_ligand_GTPYs_690_dock/MCpath23.xyz
ADDED
|
@@ -0,0 +1,273 @@
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| 1 |
+
271
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| 2 |
+
271
|
| 3 |
+
S 42.6504 51.2812 92.5326
|
| 4 |
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S 42.7017 51.1718 92.5204
|
| 5 |
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S 42.6861 51.0804 92.5325
|
| 6 |
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S 42.6659 51.0803 92.5431
|
| 7 |
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S 42.7392 51.1700 92.5235
|
| 8 |
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S 42.6848 51.3258 92.4644
|
| 9 |
+
S 42.6819 51.3633 92.4707
|
| 10 |
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S 42.7185 51.3758 92.4549
|
| 11 |
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S 42.7097 51.3304 92.4895
|
| 12 |
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S 42.7064 51.3052 92.5400
|
| 13 |
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S 42.6980 51.2571 92.5507
|
| 14 |
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S 42.6760 51.2628 92.6337
|
| 15 |
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S 42.7215 51.2425 92.6325
|
| 16 |
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S 42.8226 51.3036 92.6292
|
| 17 |
+
S 42.8068 51.3476 92.6636
|
| 18 |
+
S 42.7021 51.3667 92.6771
|
| 19 |
+
S 42.6376 51.3295 92.6749
|
| 20 |
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1efc_ligand_GTPYs_690_dock/MCpath24.xyz
ADDED
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|
| 1 |
+
186
|
| 2 |
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186
|
| 3 |
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| 4 |
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| 5 |
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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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| 40 |
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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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| 54 |
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| 55 |
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| 56 |
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| 64 |
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| 66 |
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| 69 |
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| 70 |
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| 75 |
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| 76 |
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| 77 |
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| 80 |
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| 83 |
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| 84 |
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| 86 |
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| 140 |
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| 149 |
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| 180 |
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| 188 |
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|
1efc_ligand_GTPYs_690_dock/MCpath25.xyz
ADDED
|
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|
| 1 |
+
299
|
| 2 |
+
299
|
| 3 |
+
S 42.6011 51.2010 92.8096
|
| 4 |
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S 42.5912 51.1888 92.7342
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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S 42.4590 51.2050 92.7507
|
| 10 |
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S 42.3743 51.2346 92.8837
|
| 11 |
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S 42.3300 51.2803 93.0427
|
| 12 |
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S 42.3532 51.3181 93.1680
|
| 13 |
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S 42.3923 51.4217 93.1436
|
| 14 |
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S 42.4335 51.4099 93.1733
|
| 15 |
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S 42.4353 51.4419 93.1609
|
| 16 |
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S 42.4182 51.5024 93.1448
|
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1efc_ligand_GTPYs_690_dock/MCpath26.xyz
ADDED
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| 1 |
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262
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| 2 |
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262
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| 264 |
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1efc_ligand_GTPYs_690_dock/MCpath27.xyz
ADDED
|
@@ -0,0 +1,219 @@
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| 1 |
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1efc_ligand_GTPYs_690_dock/MCpath28.xyz
ADDED
|
@@ -0,0 +1,254 @@
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| 1 |
+
252
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| 2 |
+
252
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| 3 |
+
S 42.4219 51.1797 92.6181
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| 4 |
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| 33 |
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S 42.5300 53.6356 94.3615
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| 110 |
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S 42.2143 53.6952 95.3908
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| 232 |
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| 233 |
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S 42.2676 54.6811 102.8444
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| 234 |
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| 243 |
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| 244 |
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| 254 |
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1efc_ligand_GTPYs_690_dock/MCpath29.xyz
ADDED
|
@@ -0,0 +1,252 @@
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| 1 |
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250
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| 2 |
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250
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1efc_ligand_GTPYs_690_dock/MCpath3.xyz
ADDED
|
@@ -0,0 +1,222 @@
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| 1 |
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220
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220
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1efc_ligand_GTPYs_690_dock/MCpath30.xyz
ADDED
|
@@ -0,0 +1,269 @@
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| 1 |
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1efc_ligand_GTPYs_690_dock/MCpath31.xyz
ADDED
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1efc_ligand_GTPYs_690_dock/MCpath32.xyz
ADDED
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@@ -0,0 +1,265 @@
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| 1 |
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1efc_ligand_GTPYs_690_dock/MCpath33.xyz
ADDED
|
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| 1 |
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245
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1efc_ligand_GTPYs_690_dock/MCpath34.xyz
ADDED
|
@@ -0,0 +1,152 @@
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| 1 |
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150
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1efc_ligand_GTPYs_690_dock/MCpath35.xyz
ADDED
|
@@ -0,0 +1,242 @@
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| 1 |
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240
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1efc_ligand_GTPYs_690_dock/MCpath36.xyz
ADDED
|
@@ -0,0 +1,209 @@
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| 209 |
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1efc_ligand_GTPYs_690_dock/MCpath37.xyz
ADDED
|
@@ -0,0 +1,208 @@
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| 1 |
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206
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206
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| 208 |
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|
1efc_ligand_GTPYs_690_dock/MCpath38.xyz
ADDED
|
@@ -0,0 +1,251 @@
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| 1 |
+
249
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| 2 |
+
249
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| 3 |
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| 247 |
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|
| 248 |
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|
| 249 |
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|
| 250 |
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|
| 251 |
+
S 42.8998 52.3554 102.6534
|
1efc_ligand_GTPYs_690_dock/MCpath39.xyz
ADDED
|
@@ -0,0 +1,195 @@
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| 1 |
+
193
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| 2 |
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193
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| 3 |
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| 4 |
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| 38 |
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| 39 |
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|
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|
1efc_ligand_GTPYs_690_dock/MCpath4.xyz
ADDED
|
@@ -0,0 +1,290 @@
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| 1 |
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288
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| 2 |
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288
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1efc_ligand_GTPYs_690_dock/MCpath40.xyz
ADDED
|
@@ -0,0 +1,296 @@
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| 1 |
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294
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1efc_ligand_GTPYs_690_dock/MCpath41.xyz
ADDED
|
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| 1 |
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271
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| 2 |
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271
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1efc_ligand_GTPYs_690_dock/MCpath42.xyz
ADDED
|
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| 1 |
+
248
|
| 2 |
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248
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| 3 |
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| 4 |
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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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| 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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1efc_ligand_GTPYs_690_dock/MCpath43.xyz
ADDED
|
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|
| 1 |
+
247
|
| 2 |
+
247
|
| 3 |
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|
| 4 |
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|
| 5 |
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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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S 42.6522 51.5448 93.3590
|
| 28 |
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|
| 29 |
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S 42.7274 51.5158 93.2052
|
| 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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|
1efc_ligand_GTPYs_690_dock/MCpath44.xyz
ADDED
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| 1 |
+
265
|
| 2 |
+
265
|
| 3 |
+
S 42.4659 51.0542 92.8210
|
| 4 |
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|
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|
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|
| 7 |
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S 42.4904 50.9981 92.7143
|
| 8 |
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|
1efc_ligand_GTPYs_690_dock/MCpath45.xyz
ADDED
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| 1 |
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264
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| 224 |
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| 225 |
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| 227 |
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| 230 |
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| 231 |
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| 232 |
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| 233 |
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| 234 |
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| 235 |
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| 236 |
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| 237 |
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| 238 |
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| 239 |
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| 240 |
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| 241 |
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| 243 |
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|
| 244 |
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| 245 |
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|
| 246 |
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| 247 |
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| 248 |
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| 249 |
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| 250 |
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| 251 |
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| 253 |
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| 254 |
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|
| 255 |
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|
| 256 |
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|
| 257 |
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|
| 258 |
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|
| 259 |
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|
| 260 |
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|
| 261 |
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|
| 262 |
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|
| 263 |
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|
| 264 |
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| 265 |
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|
| 266 |
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|
1efc_ligand_GTPYs_690_dock/MCpath46.xyz
ADDED
|
@@ -0,0 +1,259 @@
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| 1 |
+
257
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| 2 |
+
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| 243 |
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| 259 |
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1efc_ligand_GTPYs_690_dock/MCpath47.xyz
ADDED
|
@@ -0,0 +1,220 @@
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| 1 |
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218
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| 220 |
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1efc_ligand_GTPYs_690_dock/MCpath48.xyz
ADDED
|
@@ -0,0 +1,231 @@
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| 1 |
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229
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| 230 |
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| 231 |
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1efc_ligand_GTPYs_690_dock/MCpath49.xyz
ADDED
|
@@ -0,0 +1,301 @@
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| 1 |
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299
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1efc_ligand_GTPYs_690_dock/MCpath5.xyz
ADDED
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@@ -0,0 +1,187 @@
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| 1 |
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185
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1efc_ligand_GTPYs_690_dock/MCpath50.xyz
ADDED
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@@ -0,0 +1,267 @@
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1efc_ligand_GTPYs_690_dock/MCpath6.xyz
ADDED
|
@@ -0,0 +1,261 @@
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| 1 |
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259
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1efc_ligand_GTPYs_690_dock/MCpath7.xyz
ADDED
|
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| 1 |
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291
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| 2 |
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291
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| 28 |
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| 33 |
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| 74 |
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| 75 |
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| 77 |
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| 78 |
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|
1efc_ligand_GTPYs_690_dock/MCpath8.xyz
ADDED
|
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|
| 1 |
+
262
|
| 2 |
+
262
|
| 3 |
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|
| 4 |
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| 8 |
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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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