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- .gitattributes +50 -0
- 5j6m_ligand_native_589/MCpath1.xyz +170 -0
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- 5j6m_ligand_native_589/MCpath41.xyz +58 -0
- 5j6m_ligand_native_589/MCpath42.xyz +56 -0
- 5j6m_ligand_native_589/MCpath43.xyz +61 -0
- 5j6m_ligand_native_589/MCpath44.xyz +62 -0
- 5j6m_ligand_native_589/MCpath45.xyz +67 -0
- 5j6m_ligand_native_589/MCpath46.xyz +64 -0
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- 5j6m_ligand_native_589/MCpath7.xyz +58 -0
- 5j6m_ligand_native_589/MCpath8.xyz +110 -0
.gitattributes
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2xp2_ligand_native_396/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/Pro_lig47.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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5j6m_ligand_native_589/MCpath1.xyz
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| 88 |
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| 94 |
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| 141 |
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| 142 |
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| 143 |
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| 144 |
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| 145 |
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| 146 |
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| 147 |
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| 148 |
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| 149 |
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| 150 |
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| 151 |
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| 152 |
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| 153 |
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| 154 |
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| 155 |
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| 156 |
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| 157 |
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| 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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| 166 |
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|
| 170 |
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5j6m_ligand_native_589/MCpath10.xyz
ADDED
|
@@ -0,0 +1,61 @@
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| 1 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 35 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 49 |
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| 53 |
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| 55 |
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| 56 |
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|
| 61 |
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5j6m_ligand_native_589/MCpath11.xyz
ADDED
|
@@ -0,0 +1,102 @@
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| 55 |
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| 56 |
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| 57 |
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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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|
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| 82 |
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| 83 |
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| 84 |
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| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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| 90 |
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|
| 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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|
5j6m_ligand_native_589/MCpath12.xyz
ADDED
|
@@ -0,0 +1,62 @@
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|
| 1 |
+
60
|
| 2 |
+
60
|
| 3 |
+
S 45.5934 64.1942 53.3658
|
| 4 |
+
S 45.6015 64.1635 53.3911
|
| 5 |
+
S 45.5576 64.1383 53.3660
|
| 6 |
+
S 45.5316 64.1457 53.3780
|
| 7 |
+
S 45.4814 64.1803 53.3439
|
| 8 |
+
S 45.4779 64.1133 53.2771
|
| 9 |
+
S 45.4814 64.0732 53.3416
|
| 10 |
+
S 45.4716 64.1676 53.3225
|
| 11 |
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S 45.4901 64.3386 53.3550
|
| 12 |
+
S 45.5342 64.4421 53.3719
|
| 13 |
+
S 45.5047 64.4661 53.4164
|
| 14 |
+
S 45.4836 64.4470 53.4806
|
| 15 |
+
S 45.4234 64.4405 53.4877
|
| 16 |
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S 45.3705 64.4135 53.4857
|
| 17 |
+
S 45.3228 64.3539 53.4626
|
| 18 |
+
S 45.3354 64.3123 53.4654
|
| 19 |
+
S 45.4139 64.2501 53.4929
|
| 20 |
+
S 45.4739 64.2504 53.5220
|
| 21 |
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S 45.4565 64.2639 53.5768
|
| 22 |
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S 45.3860 64.2697 53.7043
|
| 23 |
+
S 45.2730 64.2234 53.8653
|
| 24 |
+
S 45.2264 64.2233 53.9952
|
| 25 |
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S 45.1894 64.2091 54.2085
|
| 26 |
+
S 45.1629 64.1834 54.4345
|
| 27 |
+
S 45.1869 64.2473 54.6296
|
| 28 |
+
S 45.2649 64.2402 54.6604
|
| 29 |
+
S 45.2754 64.2457 54.7127
|
| 30 |
+
S 45.3417 64.2528 54.7757
|
| 31 |
+
S 45.4691 64.1709 54.7761
|
| 32 |
+
S 45.5747 64.0809 54.7272
|
| 33 |
+
S 45.6477 64.0436 54.7316
|
| 34 |
+
S 45.6045 64.0658 54.6779
|
| 35 |
+
S 45.5344 64.1290 54.6557
|
| 36 |
+
S 45.4877 64.2098 54.7424
|
| 37 |
+
S 45.4700 64.3435 54.7315
|
| 38 |
+
S 45.4774 64.4077 54.7575
|
| 39 |
+
S 45.5046 64.5063 54.7721
|
| 40 |
+
S 45.4679 64.6047 54.7044
|
| 41 |
+
S 45.3944 64.7104 54.6789
|
| 42 |
+
S 45.4278 64.8663 54.5805
|
| 43 |
+
S 45.5585 65.0140 54.4094
|
| 44 |
+
S 45.4929 65.1906 54.2925
|
| 45 |
+
S 45.3736 65.4664 54.2498
|
| 46 |
+
S 45.3715 65.6210 54.1691
|
| 47 |
+
S 45.4086 65.7446 54.0387
|
| 48 |
+
S 45.5057 65.7998 53.8723
|
| 49 |
+
S 45.5096 65.8234 53.7284
|
| 50 |
+
S 45.4406 65.8285 53.6816
|
| 51 |
+
S 45.3516 65.7805 53.6647
|
| 52 |
+
S 45.2809 65.8199 53.6640
|
| 53 |
+
S 45.2589 65.9834 53.5799
|
| 54 |
+
S 45.2730 66.1125 53.4408
|
| 55 |
+
S 45.3414 66.2016 53.2233
|
| 56 |
+
S 45.4528 66.2346 53.1017
|
| 57 |
+
S 45.5936 66.2598 53.0086
|
| 58 |
+
S 45.6227 66.3705 53.0183
|
| 59 |
+
S 45.6888 66.4590 53.0295
|
| 60 |
+
S 45.7863 66.5318 53.2309
|
| 61 |
+
S 45.8443 66.5753 53.3478
|
| 62 |
+
S 46.0044 66.6025 53.4000
|
5j6m_ligand_native_589/MCpath13.xyz
ADDED
|
@@ -0,0 +1,58 @@
|
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|
| 1 |
+
56
|
| 2 |
+
56
|
| 3 |
+
S 45.4789 64.2617 53.1731
|
| 4 |
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S 45.4959 64.1545 53.1229
|
| 5 |
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S 45.4025 64.1563 53.0453
|
| 6 |
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S 45.4079 64.2320 52.9432
|
| 7 |
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S 45.4711 64.2959 52.8665
|
| 8 |
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S 45.5223 64.3485 52.8456
|
| 9 |
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S 45.5448 64.3869 52.8666
|
| 10 |
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S 45.6283 64.4318 52.8413
|
| 11 |
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S 45.6815 64.4823 52.8028
|
| 12 |
+
S 45.6754 64.5164 52.7502
|
| 13 |
+
S 45.5978 64.4208 52.7997
|
| 14 |
+
S 45.4399 64.3379 52.8328
|
| 15 |
+
S 45.2829 64.2826 52.7825
|
| 16 |
+
S 45.2447 64.2753 52.6502
|
| 17 |
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S 45.2857 64.3095 52.6248
|
| 18 |
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S 45.3306 64.3949 52.6914
|
| 19 |
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S 45.3980 64.4497 52.7290
|
| 20 |
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S 45.4460 64.4217 52.7726
|
| 21 |
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S 45.5578 64.3443 52.7865
|
| 22 |
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S 45.6709 64.2431 52.7844
|
| 23 |
+
S 45.6515 64.1880 52.7164
|
| 24 |
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S 45.7521 64.2507 52.6608
|
| 25 |
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S 45.7447 64.2813 52.6977
|
| 26 |
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S 45.7284 64.3258 52.6831
|
| 27 |
+
S 45.6562 64.4275 52.6315
|
| 28 |
+
S 45.5727 64.4778 52.6426
|
| 29 |
+
S 45.4479 64.5296 52.5594
|
| 30 |
+
S 45.3956 64.5894 52.4338
|
| 31 |
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S 45.3607 64.5560 52.3174
|
| 32 |
+
S 45.3748 64.5165 52.2151
|
| 33 |
+
S 45.3863 64.6271 52.1472
|
| 34 |
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S 45.4433 64.7045 52.0824
|
| 35 |
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S 45.5026 64.7116 52.1779
|
| 36 |
+
S 45.5538 64.6712 52.1304
|
| 37 |
+
S 45.6414 64.7491 52.2410
|
| 38 |
+
S 45.7515 64.9579 52.3260
|
| 39 |
+
S 45.7756 65.2660 52.3268
|
| 40 |
+
S 45.6445 65.6207 52.2569
|
| 41 |
+
S 45.5983 65.8291 52.2083
|
| 42 |
+
S 45.5097 65.9235 52.2059
|
| 43 |
+
S 45.4226 65.9770 52.1400
|
| 44 |
+
S 45.4300 66.0422 52.0865
|
| 45 |
+
S 45.4610 66.0555 52.0678
|
| 46 |
+
S 45.4711 66.0102 52.0015
|
| 47 |
+
S 45.3828 65.9938 51.9544
|
| 48 |
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S 45.2573 66.0204 51.9444
|
| 49 |
+
S 45.2586 65.9834 52.0589
|
| 50 |
+
S 45.2793 65.9613 52.2363
|
| 51 |
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S 45.1406 66.0095 52.3334
|
| 52 |
+
S 45.0849 65.9570 52.3586
|
| 53 |
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S 45.1397 65.9447 52.3843
|
| 54 |
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S 45.2771 66.0436 52.3630
|
| 55 |
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S 45.4468 66.1692 52.3708
|
| 56 |
+
S 45.5521 66.3454 52.3492
|
| 57 |
+
S 45.5479 66.5132 52.3596
|
| 58 |
+
S 45.5357 66.7465 52.3766
|
5j6m_ligand_native_589/MCpath14.xyz
ADDED
|
@@ -0,0 +1,57 @@
|
|
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|
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|
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|
|
|
|
|
|
| 1 |
+
55
|
| 2 |
+
55
|
| 3 |
+
S 45.2966 64.0685 53.5833
|
| 4 |
+
S 45.3361 64.0810 53.6211
|
| 5 |
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S 45.3361 64.1117 53.6786
|
| 6 |
+
S 45.2662 64.0999 53.6343
|
| 7 |
+
S 45.2636 64.0224 53.6371
|
| 8 |
+
S 45.2100 64.0329 53.6428
|
| 9 |
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S 45.1747 64.1136 53.6177
|
| 10 |
+
S 45.1711 64.1849 53.6468
|
| 11 |
+
S 45.2350 64.1886 53.7393
|
| 12 |
+
S 45.3136 64.1103 53.7607
|
| 13 |
+
S 45.4182 64.1417 53.6993
|
| 14 |
+
S 45.5442 64.1894 53.5670
|
| 15 |
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S 45.5915 64.2273 53.4826
|
| 16 |
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S 45.6645 64.2989 53.3465
|
| 17 |
+
S 45.6644 64.4572 53.2333
|
| 18 |
+
S 45.6644 64.6298 53.2563
|
| 19 |
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S 45.7013 64.7998 53.3456
|
| 20 |
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S 45.7815 64.8955 53.4137
|
| 21 |
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S 45.8105 64.9719 53.4540
|
| 22 |
+
S 45.8203 65.1202 53.4499
|
| 23 |
+
S 45.7779 65.1683 53.4653
|
| 24 |
+
S 45.6965 65.2032 53.5437
|
| 25 |
+
S 45.6708 65.2314 53.6541
|
| 26 |
+
S 45.7005 65.2959 53.7520
|
| 27 |
+
S 45.6409 65.3418 53.7735
|
| 28 |
+
S 45.5260 65.3643 53.7372
|
| 29 |
+
S 45.3974 65.3749 53.6170
|
| 30 |
+
S 45.4270 65.3479 53.4992
|
| 31 |
+
S 45.3903 65.3572 53.4008
|
| 32 |
+
S 45.3615 65.3959 53.3611
|
| 33 |
+
S 45.3299 65.4891 53.3790
|
| 34 |
+
S 45.3358 65.5072 53.3343
|
| 35 |
+
S 45.4180 65.5107 53.2962
|
| 36 |
+
S 45.4869 65.5043 53.1293
|
| 37 |
+
S 45.5039 65.5138 53.0097
|
| 38 |
+
S 45.5084 65.5708 52.9827
|
| 39 |
+
S 45.5556 65.6286 52.8482
|
| 40 |
+
S 45.6145 65.6871 52.7685
|
| 41 |
+
S 45.6245 65.7631 52.6050
|
| 42 |
+
S 45.5508 65.8570 52.4596
|
| 43 |
+
S 45.4271 65.9857 52.2931
|
| 44 |
+
S 45.3390 66.1472 52.1624
|
| 45 |
+
S 45.2519 66.2432 52.0573
|
| 46 |
+
S 45.2900 66.2627 51.9935
|
| 47 |
+
S 45.4777 66.2180 51.9756
|
| 48 |
+
S 45.5831 66.0877 51.9789
|
| 49 |
+
S 45.5941 65.9477 51.8789
|
| 50 |
+
S 45.4575 65.8911 51.8007
|
| 51 |
+
S 45.3303 65.9377 51.8841
|
| 52 |
+
S 45.2997 66.0301 52.0119
|
| 53 |
+
S 45.3357 66.1065 52.2515
|
| 54 |
+
S 45.2550 66.2501 52.3647
|
| 55 |
+
S 45.3374 66.4797 52.4083
|
| 56 |
+
S 45.4514 66.6943 52.4784
|
| 57 |
+
S 45.5284 66.7474 52.4533
|
5j6m_ligand_native_589/MCpath15.xyz
ADDED
|
@@ -0,0 +1,75 @@
|
|
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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 |
+
73
|
| 2 |
+
73
|
| 3 |
+
S 45.4624 64.1400 53.3410
|
| 4 |
+
S 45.4169 64.1391 53.4300
|
| 5 |
+
S 45.4114 64.0180 53.4211
|
| 6 |
+
S 45.3977 64.0381 53.5116
|
| 7 |
+
S 45.3768 64.1032 53.5456
|
| 8 |
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S 45.3624 64.1595 53.5628
|
| 9 |
+
S 45.2853 64.2641 53.5916
|
| 10 |
+
S 45.2663 64.3344 53.6322
|
| 11 |
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S 45.2415 64.3429 53.6760
|
| 12 |
+
S 45.1981 64.3522 53.7392
|
| 13 |
+
S 45.1515 64.3084 53.8333
|
| 14 |
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S 45.2942 64.2787 53.8518
|
| 15 |
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S 45.3986 64.2059 53.8050
|
| 16 |
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S 45.4753 64.1863 53.6916
|
| 17 |
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S 45.5743 64.1940 53.5637
|
| 18 |
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S 45.5135 64.2472 53.4288
|
| 19 |
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S 45.4909 64.2959 53.3821
|
| 20 |
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S 45.5872 64.4012 53.3096
|
| 21 |
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S 45.6076 64.4867 53.3243
|
| 22 |
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S 45.6239 64.4662 53.4069
|
| 23 |
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S 45.6535 64.4955 53.4184
|
| 24 |
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S 45.6159 64.4828 53.4614
|
| 25 |
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S 45.4562 64.4420 53.5384
|
| 26 |
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S 45.3711 64.3716 53.5007
|
| 27 |
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S 45.4192 64.3356 53.4156
|
| 28 |
+
S 45.4889 64.3517 53.4485
|
| 29 |
+
S 45.6277 64.3295 53.5443
|
| 30 |
+
S 45.7414 64.2050 53.5049
|
| 31 |
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S 45.8296 64.1051 53.3572
|
| 32 |
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S 45.8864 64.1333 53.3519
|
| 33 |
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S 45.8962 64.2405 53.3385
|
| 34 |
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S 45.7783 64.3618 53.3089
|
| 35 |
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S 45.7169 64.4855 53.3728
|
| 36 |
+
S 45.5992 64.4999 53.3289
|
| 37 |
+
S 45.4461 64.4502 53.2622
|
| 38 |
+
S 45.4063 64.4096 53.2084
|
| 39 |
+
S 45.3128 64.4142 53.1850
|
| 40 |
+
S 45.2711 64.3905 53.2276
|
| 41 |
+
S 45.2509 64.4391 53.2199
|
| 42 |
+
S 45.3236 64.4783 53.1148
|
| 43 |
+
S 45.4281 64.4267 52.9751
|
| 44 |
+
S 45.4595 64.5102 52.7733
|
| 45 |
+
S 45.4825 64.4945 52.5091
|
| 46 |
+
S 45.5808 64.5718 52.2169
|
| 47 |
+
S 45.7112 64.7295 51.8820
|
| 48 |
+
S 45.8218 64.7899 51.7649
|
| 49 |
+
S 45.8651 64.8669 51.7178
|
| 50 |
+
S 45.9193 64.9219 51.6625
|
| 51 |
+
S 45.9242 65.0398 51.6752
|
| 52 |
+
S 45.9460 65.0078 51.8458
|
| 53 |
+
S 45.9465 64.9529 52.0257
|
| 54 |
+
S 45.8486 64.9792 52.2493
|
| 55 |
+
S 45.6664 65.0842 52.4353
|
| 56 |
+
S 45.5179 65.2925 52.3560
|
| 57 |
+
S 45.4297 65.5879 52.3072
|
| 58 |
+
S 45.3776 65.8371 52.3311
|
| 59 |
+
S 45.3344 65.8347 52.3331
|
| 60 |
+
S 45.2674 65.8773 52.3491
|
| 61 |
+
S 45.1206 66.0504 52.3366
|
| 62 |
+
S 45.0813 66.1529 52.1888
|
| 63 |
+
S 45.1100 66.2197 52.1549
|
| 64 |
+
S 45.1349 66.2819 52.2048
|
| 65 |
+
S 45.2246 66.2721 52.2607
|
| 66 |
+
S 45.3379 66.2972 52.4308
|
| 67 |
+
S 45.5100 66.3271 52.6415
|
| 68 |
+
S 45.6315 66.3940 52.6944
|
| 69 |
+
S 45.7097 66.5481 52.7025
|
| 70 |
+
S 45.8147 66.6666 52.6470
|
| 71 |
+
S 45.8842 66.7199 52.6125
|
| 72 |
+
S 45.9098 66.6815 52.6045
|
| 73 |
+
S 45.8795 66.6083 52.5711
|
| 74 |
+
S 45.6708 66.6536 52.5415
|
| 75 |
+
S 45.5019 66.7249 52.5172
|
5j6m_ligand_native_589/MCpath16.xyz
ADDED
|
@@ -0,0 +1,55 @@
|
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|
| 1 |
+
53
|
| 2 |
+
53
|
| 3 |
+
S 45.6410 64.0899 53.4052
|
| 4 |
+
S 45.5778 64.0324 53.2812
|
| 5 |
+
S 45.5042 64.0166 53.1945
|
| 6 |
+
S 45.5165 63.9700 53.2469
|
| 7 |
+
S 45.5074 63.9806 53.3041
|
| 8 |
+
S 45.5685 64.1198 53.2869
|
| 9 |
+
S 45.5641 64.1852 53.3409
|
| 10 |
+
S 45.6104 64.1734 53.3986
|
| 11 |
+
S 45.5893 64.1716 53.4779
|
| 12 |
+
S 45.5932 64.2323 53.5317
|
| 13 |
+
S 45.6298 64.2704 53.5479
|
| 14 |
+
S 45.5692 64.2897 53.5839
|
| 15 |
+
S 45.4745 64.2756 53.6629
|
| 16 |
+
S 45.3896 64.1969 53.6566
|
| 17 |
+
S 45.3059 64.1784 53.6145
|
| 18 |
+
S 45.3473 64.2452 53.5582
|
| 19 |
+
S 45.3531 64.2493 53.5336
|
| 20 |
+
S 45.3235 64.3418 53.4909
|
| 21 |
+
S 45.3289 64.4551 53.4361
|
| 22 |
+
S 45.2563 64.6519 53.4827
|
| 23 |
+
S 45.2061 64.7767 53.5814
|
| 24 |
+
S 45.2139 64.8524 53.5851
|
| 25 |
+
S 45.2112 64.9689 53.5312
|
| 26 |
+
S 45.1975 65.1107 53.4854
|
| 27 |
+
S 45.2533 65.1241 53.4171
|
| 28 |
+
S 45.2411 65.1021 53.3368
|
| 29 |
+
S 45.2129 65.1911 53.1222
|
| 30 |
+
S 45.3807 65.2702 53.0040
|
| 31 |
+
S 45.5669 65.4250 53.0555
|
| 32 |
+
S 45.6459 65.6320 53.0411
|
| 33 |
+
S 45.6628 65.7748 53.0949
|
| 34 |
+
S 45.7432 65.8552 53.0748
|
| 35 |
+
S 45.8909 65.7790 53.0664
|
| 36 |
+
S 45.9200 65.7189 52.9709
|
| 37 |
+
S 45.8102 65.6325 52.7655
|
| 38 |
+
S 45.6504 65.6206 52.5785
|
| 39 |
+
S 45.5162 65.6194 52.4757
|
| 40 |
+
S 45.4393 65.6121 52.3466
|
| 41 |
+
S 45.4712 65.5618 52.2411
|
| 42 |
+
S 45.4993 65.5431 52.1568
|
| 43 |
+
S 45.4698 65.6123 52.0518
|
| 44 |
+
S 45.4656 65.6544 51.9901
|
| 45 |
+
S 45.4137 65.6650 51.9980
|
| 46 |
+
S 45.4973 65.6937 52.1394
|
| 47 |
+
S 45.5120 65.7019 52.1465
|
| 48 |
+
S 45.5087 65.7766 52.1233
|
| 49 |
+
S 45.5465 65.9023 52.0962
|
| 50 |
+
S 45.5150 66.1092 52.2565
|
| 51 |
+
S 45.3721 66.2544 52.3649
|
| 52 |
+
S 45.2186 66.3132 52.2672
|
| 53 |
+
S 45.1139 66.4685 52.2518
|
| 54 |
+
S 45.2072 66.6352 52.2784
|
| 55 |
+
S 45.2790 66.8357 52.2456
|
5j6m_ligand_native_589/MCpath17.xyz
ADDED
|
@@ -0,0 +1,94 @@
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|
| 1 |
+
92
|
| 2 |
+
92
|
| 3 |
+
S 45.1907 64.1333 53.4736
|
| 4 |
+
S 45.2539 64.1476 53.5683
|
| 5 |
+
S 45.3461 64.1115 53.6621
|
| 6 |
+
S 45.3937 64.0724 53.7195
|
| 7 |
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S 45.4550 64.0923 53.7806
|
| 8 |
+
S 45.5288 64.2233 53.8100
|
| 9 |
+
S 45.4752 64.3748 53.7895
|
| 10 |
+
S 45.4419 64.4834 53.7444
|
| 11 |
+
S 45.4149 64.4484 53.6150
|
| 12 |
+
S 45.4048 64.4475 53.5239
|
| 13 |
+
S 45.3245 64.4311 53.4545
|
| 14 |
+
S 45.2833 64.4153 53.4108
|
| 15 |
+
S 45.3163 64.3765 53.4072
|
| 16 |
+
S 45.4179 64.4456 53.4221
|
| 17 |
+
S 45.5860 64.4845 53.4023
|
| 18 |
+
S 45.6971 64.4844 53.3957
|
| 19 |
+
S 45.6942 64.4278 53.3463
|
| 20 |
+
S 45.6159 64.3654 53.2970
|
| 21 |
+
S 45.6555 64.2964 53.2482
|
| 22 |
+
S 45.5702 64.3083 53.2868
|
| 23 |
+
S 45.4335 64.3550 53.4180
|
| 24 |
+
S 45.3096 64.3204 53.5205
|
| 25 |
+
S 45.2592 64.1849 53.5440
|
| 26 |
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S 45.3225 64.1352 53.6522
|
| 27 |
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S 45.3477 64.1837 53.8313
|
| 28 |
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S 45.5282 64.1862 53.8955
|
| 29 |
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S 45.7471 64.2083 53.8239
|
| 30 |
+
S 45.7664 64.2642 53.8001
|
| 31 |
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S 45.7136 64.3807 53.7313
|
| 32 |
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S 45.6460 64.4548 53.5940
|
| 33 |
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S 45.6083 64.3995 53.4674
|
| 34 |
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S 45.5409 64.4143 53.3446
|
| 35 |
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S 45.5663 64.4504 53.2724
|
| 36 |
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S 45.4469 64.5424 53.1670
|
| 37 |
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S 45.5171 64.5994 53.0885
|
| 38 |
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S 45.5359 64.7149 53.0741
|
| 39 |
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S 45.5451 64.8289 53.0734
|
| 40 |
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S 45.5955 65.0564 53.0579
|
| 41 |
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S 45.6930 65.2827 52.9927
|
| 42 |
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S 45.7381 65.4348 52.9187
|
| 43 |
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S 45.7392 65.5622 52.5957
|
| 44 |
+
S 45.6888 65.6413 52.2106
|
| 45 |
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S 45.6534 65.7140 51.9785
|
| 46 |
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S 45.6899 65.7771 51.9386
|
| 47 |
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S 45.7073 65.7207 51.9887
|
| 48 |
+
S 45.7080 65.4990 51.9595
|
| 49 |
+
S 45.7582 65.3154 51.8578
|
| 50 |
+
S 45.6738 65.1509 51.7747
|
| 51 |
+
S 45.6045 65.0748 51.7452
|
| 52 |
+
S 45.5702 65.1112 51.8555
|
| 53 |
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S 45.5406 65.1359 52.0237
|
| 54 |
+
S 45.5421 65.3935 52.1838
|
| 55 |
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S 45.4679 65.6015 52.3057
|
| 56 |
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S 45.4797 65.7660 52.2873
|
| 57 |
+
S 45.5544 65.8186 52.1877
|
| 58 |
+
S 45.5374 65.9251 52.1121
|
| 59 |
+
S 45.5404 66.0248 52.0117
|
| 60 |
+
S 45.5718 66.0383 51.9379
|
| 61 |
+
S 45.7078 66.0520 51.9444
|
| 62 |
+
S 45.7841 66.1430 51.9534
|
| 63 |
+
S 45.8582 66.2024 51.8619
|
| 64 |
+
S 45.8109 66.4801 51.7511
|
| 65 |
+
S 45.6795 66.7459 51.6140
|
| 66 |
+
S 45.4820 66.8140 51.5292
|
| 67 |
+
S 45.2869 66.8024 51.6086
|
| 68 |
+
S 45.2432 66.7528 51.6279
|
| 69 |
+
S 45.2010 66.7402 51.5813
|
| 70 |
+
S 45.2160 66.7067 51.5342
|
| 71 |
+
S 45.1906 66.7024 51.4950
|
| 72 |
+
S 45.2089 66.7072 51.5224
|
| 73 |
+
S 45.2572 66.7541 51.5305
|
| 74 |
+
S 45.3874 66.9395 51.5585
|
| 75 |
+
S 45.4838 67.0824 51.5537
|
| 76 |
+
S 45.6118 67.2106 51.5661
|
| 77 |
+
S 45.6564 67.3860 51.5468
|
| 78 |
+
S 45.6157 67.4554 51.5481
|
| 79 |
+
S 45.6301 67.5062 51.5854
|
| 80 |
+
S 45.6284 67.5117 51.6539
|
| 81 |
+
S 45.5860 67.5213 51.7320
|
| 82 |
+
S 45.5595 67.5721 51.7308
|
| 83 |
+
S 45.5436 67.6504 51.6399
|
| 84 |
+
S 45.4837 67.7497 51.5087
|
| 85 |
+
S 45.3961 67.8497 51.5236
|
| 86 |
+
S 45.3256 67.9219 51.4997
|
| 87 |
+
S 45.2943 68.0066 51.4903
|
| 88 |
+
S 45.2962 68.0520 51.4727
|
| 89 |
+
S 45.2515 68.0168 51.5748
|
| 90 |
+
S 45.3135 67.9819 51.6244
|
| 91 |
+
S 45.3916 68.1439 51.7404
|
| 92 |
+
S 45.4731 68.3872 51.7850
|
| 93 |
+
S 45.6440 68.5561 51.7961
|
| 94 |
+
S 45.8029 68.7370 51.6533
|
5j6m_ligand_native_589/MCpath18.xyz
ADDED
|
@@ -0,0 +1,51 @@
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|
| 1 |
+
49
|
| 2 |
+
49
|
| 3 |
+
S 45.5257 64.2142 53.2880
|
| 4 |
+
S 45.5129 64.2123 53.2182
|
| 5 |
+
S 45.4745 64.2748 53.1890
|
| 6 |
+
S 45.3735 64.3250 53.1342
|
| 7 |
+
S 45.3175 64.3353 53.1135
|
| 8 |
+
S 45.2104 64.2464 53.1942
|
| 9 |
+
S 45.2088 64.2222 53.2597
|
| 10 |
+
S 45.2934 64.2592 53.3133
|
| 11 |
+
S 45.2806 64.2954 53.4448
|
| 12 |
+
S 45.3497 64.2863 53.6231
|
| 13 |
+
S 45.3994 64.1652 53.7439
|
| 14 |
+
S 45.4093 64.0553 53.7954
|
| 15 |
+
S 45.3628 63.9853 53.8793
|
| 16 |
+
S 45.3714 63.9975 53.8628
|
| 17 |
+
S 45.3456 64.0114 53.8468
|
| 18 |
+
S 45.3400 64.0531 53.8310
|
| 19 |
+
S 45.3813 64.1634 53.6771
|
| 20 |
+
S 45.4050 64.3309 53.5530
|
| 21 |
+
S 45.4324 64.4909 53.4927
|
| 22 |
+
S 45.4436 64.5077 53.4064
|
| 23 |
+
S 45.3698 64.6056 53.3194
|
| 24 |
+
S 45.3680 64.6969 53.2609
|
| 25 |
+
S 45.4224 64.7775 53.2348
|
| 26 |
+
S 45.6072 64.8584 53.2615
|
| 27 |
+
S 45.6355 64.9305 53.3151
|
| 28 |
+
S 45.6322 64.9909 53.3308
|
| 29 |
+
S 45.5786 65.1003 53.3577
|
| 30 |
+
S 45.5111 65.2600 53.3004
|
| 31 |
+
S 45.4521 65.2028 53.2523
|
| 32 |
+
S 45.3672 65.1551 53.1284
|
| 33 |
+
S 45.3597 65.1262 53.0770
|
| 34 |
+
S 45.3751 65.1677 53.0625
|
| 35 |
+
S 45.2825 65.1531 53.1197
|
| 36 |
+
S 45.2354 65.1500 53.1429
|
| 37 |
+
S 45.3268 65.1446 53.2113
|
| 38 |
+
S 45.4372 65.1175 53.2620
|
| 39 |
+
S 45.4327 65.1883 53.3471
|
| 40 |
+
S 45.5884 65.3361 53.4246
|
| 41 |
+
S 45.6740 65.5172 53.4336
|
| 42 |
+
S 45.5934 65.7394 53.3680
|
| 43 |
+
S 45.5909 65.8270 53.2892
|
| 44 |
+
S 45.5157 65.8114 53.3094
|
| 45 |
+
S 45.4638 65.8064 53.3548
|
| 46 |
+
S 45.4188 65.8951 53.3283
|
| 47 |
+
S 45.4922 66.0772 53.2087
|
| 48 |
+
S 45.6025 66.2423 53.1843
|
| 49 |
+
S 45.6926 66.3508 53.1643
|
| 50 |
+
S 45.8251 66.4603 53.1062
|
| 51 |
+
S 46.0223 66.4768 53.0296
|
5j6m_ligand_native_589/MCpath19.xyz
ADDED
|
@@ -0,0 +1,111 @@
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|
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|
| 1 |
+
109
|
| 2 |
+
109
|
| 3 |
+
S 45.3836 64.1674 53.2279
|
| 4 |
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S 45.3443 63.9848 53.2846
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| 5 |
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|
| 6 |
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S 45.2286 64.1584 53.4108
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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 45.3111 64.4587 53.3776
|
| 12 |
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S 45.4160 64.4919 53.4407
|
| 13 |
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S 45.3886 64.5408 53.5293
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| 14 |
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S 45.3515 64.5770 53.5805
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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S 45.6366 64.3513 53.5983
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| 21 |
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S 45.6495 64.4199 53.6494
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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S 45.6184 64.2138 53.4645
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| 26 |
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S 45.5252 64.1736 53.4134
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| 27 |
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S 45.5545 64.2639 53.3587
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| 28 |
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S 45.4855 64.3356 53.3107
|
| 29 |
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S 45.4652 64.3918 53.3577
|
| 30 |
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S 45.3876 64.3787 53.3750
|
| 31 |
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S 45.3956 64.3289 53.3157
|
| 32 |
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S 45.3217 64.3112 53.3264
|
| 33 |
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S 45.3838 64.4074 53.4091
|
| 34 |
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S 45.4483 64.5007 53.5287
|
| 35 |
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S 45.4604 64.5220 53.5416
|
| 36 |
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S 45.4099 64.4840 53.4120
|
| 37 |
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S 45.3002 64.4629 53.3518
|
| 38 |
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S 45.2331 64.5117 53.2685
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| 39 |
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S 45.2633 64.5410 53.2295
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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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S 45.2573 64.4554 53.5640
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| 54 |
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S 45.3226 64.4427 53.6656
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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 45.5624 64.3709 53.7466
|
| 59 |
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S 45.5136 64.4045 53.6674
|
| 60 |
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S 45.3854 64.2624 53.5822
|
| 61 |
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S 45.2593 64.1878 53.3946
|
| 62 |
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S 45.2728 64.1759 53.2860
|
| 63 |
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S 45.3322 64.2345 53.2385
|
| 64 |
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S 45.3858 64.3909 53.1962
|
| 65 |
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S 45.4930 64.5247 53.2029
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| 66 |
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S 45.5742 64.5430 53.2863
|
| 67 |
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S 45.6188 64.5752 53.3071
|
| 68 |
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S 45.5907 64.5302 53.3601
|
| 69 |
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S 45.5623 64.5399 53.3591
|
| 70 |
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S 45.4876 64.5656 53.4095
|
| 71 |
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S 45.4373 64.6269 53.5182
|
| 72 |
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S 45.4192 64.6239 53.5357
|
| 73 |
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S 45.4227 64.6787 53.5252
|
| 74 |
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S 45.4146 64.8122 53.5626
|
| 75 |
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S 45.4372 65.2827 53.5961
|
| 76 |
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S 45.4432 65.8228 53.5050
|
| 77 |
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S 45.4712 66.1644 53.2775
|
| 78 |
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S 45.4878 66.3838 52.9816
|
| 79 |
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S 45.4834 66.5566 52.6947
|
| 80 |
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S 45.4150 66.6635 52.4365
|
| 81 |
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S 45.3607 66.6266 52.2932
|
| 82 |
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S 45.2354 66.5236 52.1991
|
| 83 |
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S 45.0784 66.4768 52.1547
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| 84 |
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S 45.0016 66.3458 52.0673
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| 85 |
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S 44.9212 66.2406 52.0035
|
| 86 |
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S 44.8643 66.0690 51.9988
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| 87 |
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S 44.8874 65.8468 52.0243
|
| 88 |
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S 44.8465 65.7565 52.0470
|
| 89 |
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S 44.6403 65.6459 52.0835
|
| 90 |
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S 44.4147 65.6217 51.9383
|
| 91 |
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S 44.4336 65.5971 51.7626
|
| 92 |
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S 44.4887 65.6118 51.7707
|
| 93 |
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S 44.4166 65.6421 51.7747
|
| 94 |
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S 44.3057 65.5443 51.6549
|
| 95 |
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S 44.3792 65.4459 51.5702
|
| 96 |
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S 44.5474 65.4060 51.5698
|
| 97 |
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S 44.6089 65.3406 51.6515
|
| 98 |
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S 44.6524 65.3006 51.7207
|
| 99 |
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S 44.6597 65.3146 51.8010
|
| 100 |
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S 44.8025 65.4211 51.9266
|
| 101 |
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S 44.9028 65.4297 52.0073
|
| 102 |
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S 44.8686 65.4849 52.0487
|
| 103 |
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S 44.6212 65.6808 52.0542
|
| 104 |
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S 44.4681 65.9801 52.0237
|
| 105 |
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S 44.5104 66.2677 52.0381
|
| 106 |
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S 44.5440 66.4925 52.1588
|
| 107 |
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S 44.6394 66.6545 52.2112
|
| 108 |
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S 44.6888 66.8217 52.1680
|
| 109 |
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S 44.7805 67.0473 52.2411
|
| 110 |
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S 44.9248 67.2006 52.3237
|
| 111 |
+
S 45.0457 67.2292 52.2873
|
5j6m_ligand_native_589/MCpath2.xyz
ADDED
|
@@ -0,0 +1,77 @@
|
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|
| 1 |
+
75
|
| 2 |
+
75
|
| 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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| 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 45.4051 64.1431 53.6180
|
| 19 |
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S 45.3130 64.2178 53.5787
|
| 20 |
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S 45.2976 64.2625 53.5505
|
| 21 |
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S 45.3508 64.3004 53.5007
|
| 22 |
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S 45.3905 64.3546 53.5364
|
| 23 |
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S 45.3202 64.3864 53.6015
|
| 24 |
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S 45.3466 64.4513 53.6649
|
| 25 |
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S 45.4281 64.4792 53.6068
|
| 26 |
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S 45.5608 64.5655 53.5691
|
| 27 |
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S 45.6318 64.7295 53.5262
|
| 28 |
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S 45.7465 64.7256 53.3850
|
| 29 |
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S 45.8590 64.6599 53.3301
|
| 30 |
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S 45.9002 64.5725 53.2417
|
| 31 |
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S 45.9485 64.4964 53.1222
|
| 32 |
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S 45.9417 64.5144 52.9560
|
| 33 |
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S 45.9425 64.5183 52.7428
|
| 34 |
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S 45.9671 64.5000 52.5829
|
| 35 |
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S 46.0480 64.4913 52.3987
|
| 36 |
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|
| 37 |
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|
| 38 |
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S 46.6148 64.4846 52.4664
|
| 39 |
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|
| 40 |
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S 46.8672 64.3332 52.3231
|
| 41 |
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S 47.0871 64.2596 52.3024
|
| 42 |
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S 47.2797 64.2084 52.2862
|
| 43 |
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S 47.3469 64.2848 52.3717
|
| 44 |
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S 47.2813 64.3522 52.5636
|
| 45 |
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S 47.2215 64.3931 52.7170
|
| 46 |
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S 47.1928 64.4930 52.7456
|
| 47 |
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S 47.2193 64.5519 52.8164
|
| 48 |
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S 47.2035 64.5712 52.8753
|
| 49 |
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S 47.2583 64.5076 52.9031
|
| 50 |
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S 47.2925 64.4949 52.8773
|
| 51 |
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|
| 52 |
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S 47.4105 64.3268 52.6829
|
| 53 |
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S 47.4758 64.2060 52.5958
|
| 54 |
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S 47.6081 64.0692 52.4041
|
| 55 |
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S 47.7605 63.9399 52.3740
|
| 56 |
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S 47.8310 63.9049 52.3887
|
| 57 |
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S 47.8436 63.9529 52.3493
|
| 58 |
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S 47.9229 64.0591 52.2446
|
| 59 |
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S 48.0113 64.1804 52.1651
|
| 60 |
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S 48.1722 64.1994 52.0309
|
| 61 |
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S 48.3024 64.2376 52.0091
|
| 62 |
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S 48.4929 64.2960 52.0293
|
| 63 |
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S 48.6507 64.3441 52.0951
|
| 64 |
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S 48.8178 64.4470 52.1095
|
| 65 |
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S 48.8571 64.5638 52.1880
|
| 66 |
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S 48.8639 64.7491 52.2838
|
| 67 |
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S 48.7527 65.0698 52.4307
|
| 68 |
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S 48.5920 65.3922 52.5720
|
| 69 |
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S 48.4475 65.7270 52.5808
|
| 70 |
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S 48.2855 65.9200 52.5035
|
| 71 |
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S 48.1960 65.9759 52.5274
|
| 72 |
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S 48.1630 65.9995 52.4643
|
| 73 |
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S 48.1977 66.0392 52.3574
|
| 74 |
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S 48.1624 66.1263 52.3066
|
| 75 |
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S 48.1223 66.3311 52.2198
|
| 76 |
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S 48.1506 66.6260 52.2207
|
| 77 |
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S 48.1815 66.8230 52.2939
|
5j6m_ligand_native_589/MCpath20.xyz
ADDED
|
@@ -0,0 +1,63 @@
|
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|
| 1 |
+
61
|
| 2 |
+
61
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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S 45.6696 64.2825 53.3495
|
| 11 |
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|
| 12 |
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S 45.6955 64.3906 53.3390
|
| 13 |
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S 45.6414 64.4757 53.3377
|
| 14 |
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S 45.5795 64.4960 53.3099
|
| 15 |
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S 45.5538 64.4009 53.3505
|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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S 45.4924 64.3453 53.6180
|
| 20 |
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|
| 21 |
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S 45.4440 64.3214 53.6842
|
| 22 |
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|
| 23 |
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S 45.4724 64.3828 53.7731
|
| 24 |
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S 45.3271 64.3110 53.8366
|
| 25 |
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S 45.2266 64.2851 53.9370
|
| 26 |
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S 45.1334 64.2311 53.9425
|
| 27 |
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S 45.0330 64.2357 53.9274
|
| 28 |
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S 45.0473 64.2648 53.9228
|
| 29 |
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S 45.1211 64.2478 53.8866
|
| 30 |
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S 45.2071 64.2539 53.7614
|
| 31 |
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S 45.3200 64.3343 53.6621
|
| 32 |
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S 45.3551 64.4240 53.5407
|
| 33 |
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S 45.3797 64.5205 53.4003
|
| 34 |
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S 45.4184 64.5012 53.3271
|
| 35 |
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S 45.4816 64.4923 53.2862
|
| 36 |
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|
| 37 |
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S 45.6015 64.6825 53.2102
|
| 38 |
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|
| 39 |
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S 45.6853 64.7861 53.2217
|
| 40 |
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S 45.6624 65.0086 53.2365
|
| 41 |
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S 45.5537 65.2934 53.2521
|
| 42 |
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S 45.5637 65.5309 53.1962
|
| 43 |
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S 45.5963 65.7549 53.1514
|
| 44 |
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S 45.6530 65.8957 53.0545
|
| 45 |
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S 45.6223 65.9334 52.9789
|
| 46 |
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S 45.5771 65.8122 52.8469
|
| 47 |
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S 45.5569 65.7468 52.6643
|
| 48 |
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S 45.6339 65.7289 52.4941
|
| 49 |
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S 45.5908 65.6997 52.3827
|
| 50 |
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S 45.5232 65.6997 52.3072
|
| 51 |
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S 45.5253 65.7471 52.2271
|
| 52 |
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S 45.5159 65.7289 52.3105
|
| 53 |
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S 45.5884 65.8641 52.4171
|
| 54 |
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S 45.6985 65.9483 52.5855
|
| 55 |
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S 45.7738 66.0790 52.5661
|
| 56 |
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S 45.7417 66.1673 52.3925
|
| 57 |
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S 45.6284 66.3315 52.3512
|
| 58 |
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|
| 59 |
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S 45.5585 66.4413 52.3759
|
| 60 |
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S 45.4962 66.5582 52.3389
|
| 61 |
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S 45.4560 66.6591 52.2205
|
| 62 |
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S 45.5357 66.7098 52.1807
|
| 63 |
+
S 45.6757 66.8052 52.1005
|
5j6m_ligand_native_589/MCpath21.xyz
ADDED
|
@@ -0,0 +1,97 @@
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| 1 |
+
95
|
| 2 |
+
95
|
| 3 |
+
S 45.1476 64.1383 53.3651
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| 4 |
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S 45.1072 64.1866 53.4154
|
| 5 |
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S 45.0733 64.2172 53.5174
|
| 6 |
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S 45.0672 64.1934 53.5627
|
| 7 |
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S 45.1055 64.2015 53.5850
|
| 8 |
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S 45.1752 64.2168 53.6417
|
| 9 |
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S 45.1870 64.2517 53.7016
|
| 10 |
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S 45.2261 64.2566 53.6750
|
| 11 |
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S 45.2992 64.2503 53.7047
|
| 12 |
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S 45.4155 64.2130 53.7904
|
| 13 |
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S 45.4788 64.2580 53.8168
|
| 14 |
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S 45.4767 64.2246 53.7579
|
| 15 |
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S 45.4348 64.2150 53.7833
|
| 16 |
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S 45.3766 64.2631 53.7593
|
| 17 |
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S 45.3436 64.2692 53.7007
|
| 18 |
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S 45.3283 64.3105 53.6050
|
| 19 |
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S 45.3104 64.3265 53.6058
|
| 20 |
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S 45.3201 64.3008 53.5235
|
| 21 |
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S 45.3762 64.3950 53.4713
|
| 22 |
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S 45.4788 64.4431 53.4320
|
| 23 |
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S 45.5849 64.5565 53.4535
|
| 24 |
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S 45.5459 64.6216 53.4568
|
| 25 |
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S 45.5456 64.5740 53.4774
|
| 26 |
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S 45.5564 64.5722 53.4679
|
| 27 |
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S 45.5695 64.5269 53.4413
|
| 28 |
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S 45.6395 64.5138 53.3933
|
| 29 |
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S 45.7208 64.4594 53.3084
|
| 30 |
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S 45.7138 64.4282 53.2685
|
| 31 |
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S 45.6715 64.4785 53.2481
|
| 32 |
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S 45.6770 64.5231 53.1562
|
| 33 |
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S 45.7664 64.5271 53.1374
|
| 34 |
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S 45.8000 64.3894 53.1286
|
| 35 |
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S 45.7603 64.3281 53.2361
|
| 36 |
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S 45.5954 64.4011 53.3469
|
| 37 |
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S 45.4591 64.5080 53.3775
|
| 38 |
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S 45.4137 64.6120 53.4058
|
| 39 |
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S 45.3893 64.5576 53.3778
|
| 40 |
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S 45.2915 64.5509 53.3531
|
| 41 |
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S 45.2327 64.4793 53.2844
|
| 42 |
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S 45.2373 64.3963 53.3218
|
| 43 |
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S 45.3603 64.3727 53.3702
|
| 44 |
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S 45.5205 64.4386 53.5036
|
| 45 |
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S 45.5569 64.4916 53.6698
|
| 46 |
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S 45.5575 64.5123 53.8322
|
| 47 |
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S 45.5396 64.5401 53.8540
|
| 48 |
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S 45.5221 64.5942 53.7844
|
| 49 |
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S 45.4437 64.5964 53.6733
|
| 50 |
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S 45.4112 64.5480 53.5824
|
| 51 |
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S 45.4110 64.5411 53.4995
|
| 52 |
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S 45.3592 64.6132 53.4410
|
| 53 |
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S 45.2311 64.6119 53.3872
|
| 54 |
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S 45.1834 64.5695 53.3503
|
| 55 |
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S 45.2467 64.5180 53.3100
|
| 56 |
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S 45.2878 64.5244 53.2787
|
| 57 |
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S 45.3465 64.5922 53.3598
|
| 58 |
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S 45.4494 64.5191 53.4081
|
| 59 |
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S 45.4204 64.4089 53.5112
|
| 60 |
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S 45.4120 64.4226 53.5842
|
| 61 |
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S 45.3756 64.4788 53.6599
|
| 62 |
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S 45.4373 64.6119 53.6894
|
| 63 |
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S 45.5434 64.6743 53.7538
|
| 64 |
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S 45.5813 64.6626 53.7618
|
| 65 |
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S 45.6124 64.5615 53.7225
|
| 66 |
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S 45.6578 64.4095 53.5419
|
| 67 |
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S 45.6510 64.3041 53.3859
|
| 68 |
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S 45.6358 64.2799 53.2947
|
| 69 |
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S 45.6259 64.3169 53.2284
|
| 70 |
+
S 45.5929 64.4792 53.1291
|
| 71 |
+
S 45.5775 64.6243 53.0520
|
| 72 |
+
S 45.5846 64.6080 53.0048
|
| 73 |
+
S 45.6395 64.5332 52.9870
|
| 74 |
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S 45.6663 64.4211 52.8601
|
| 75 |
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S 45.7094 64.5031 52.1942
|
| 76 |
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S 45.8347 64.7443 51.5213
|
| 77 |
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S 45.8562 65.0535 51.1596
|
| 78 |
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S 45.7942 65.3832 50.9253
|
| 79 |
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S 45.6206 65.5982 50.8960
|
| 80 |
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S 45.4986 65.6217 51.0965
|
| 81 |
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S 45.4004 65.5876 51.2970
|
| 82 |
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S 45.3339 65.5857 51.4780
|
| 83 |
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S 45.3307 65.6900 51.5870
|
| 84 |
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S 45.4571 65.8246 51.6173
|
| 85 |
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S 45.5957 65.9176 51.7114
|
| 86 |
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S 45.4954 66.0235 51.8605
|
| 87 |
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S 45.4087 66.0097 51.9103
|
| 88 |
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S 45.3613 65.9529 51.8817
|
| 89 |
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S 45.2773 65.9383 51.9304
|
| 90 |
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S 45.1899 65.9344 52.0045
|
| 91 |
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S 45.2893 65.9898 52.1621
|
| 92 |
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S 45.3962 66.1284 52.2429
|
| 93 |
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S 45.4438 66.2723 52.3502
|
| 94 |
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S 45.5224 66.3982 52.4287
|
| 95 |
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S 45.5010 66.4955 52.4458
|
| 96 |
+
S 45.4743 66.6953 52.4180
|
| 97 |
+
S 45.4929 66.8088 52.2921
|
5j6m_ligand_native_589/MCpath22.xyz
ADDED
|
@@ -0,0 +1,89 @@
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| 1 |
+
87
|
| 2 |
+
87
|
| 3 |
+
S 45.2557 64.1346 53.2528
|
| 4 |
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S 45.2494 64.1230 53.2768
|
| 5 |
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|
| 6 |
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|
| 7 |
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S 45.2603 63.9810 53.5057
|
| 8 |
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S 45.2679 63.9905 53.5426
|
| 9 |
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|
| 10 |
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|
| 11 |
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S 45.1228 64.1440 53.7209
|
| 12 |
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S 45.1952 64.1121 53.8942
|
| 13 |
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S 45.2542 64.1184 53.9926
|
| 14 |
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S 45.3010 64.0366 54.0250
|
| 15 |
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S 45.3304 64.0422 54.1624
|
| 16 |
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S 45.2637 64.0958 54.2298
|
| 17 |
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S 45.2299 64.1467 54.2951
|
| 18 |
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S 45.1541 64.2124 54.3219
|
| 19 |
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S 45.0881 64.2608 54.2703
|
| 20 |
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S 45.0768 64.3306 54.2354
|
| 21 |
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S 44.9650 64.3819 54.2130
|
| 22 |
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S 44.7410 64.3717 54.2362
|
| 23 |
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S 44.5389 64.3189 54.2979
|
| 24 |
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S 44.3677 64.2687 54.2666
|
| 25 |
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S 44.3064 64.2466 54.2984
|
| 26 |
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S 44.3263 64.2606 54.3858
|
| 27 |
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S 44.4313 64.2683 54.4547
|
| 28 |
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S 44.5831 64.3054 54.5886
|
| 29 |
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|
| 30 |
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S 44.4634 64.4181 54.7698
|
| 31 |
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S 44.3769 64.3626 54.7195
|
| 32 |
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S 44.3000 64.3427 54.6840
|
| 33 |
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S 44.4202 64.4024 54.5987
|
| 34 |
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S 44.5153 64.4436 54.5001
|
| 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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S 44.6774 64.6418 54.4892
|
| 41 |
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|
| 42 |
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|
| 43 |
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S 44.4165 64.3299 54.6028
|
| 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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S 44.4577 64.5499 54.4777
|
| 53 |
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S 44.4733 64.5858 54.4910
|
| 54 |
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S 44.5649 64.5354 54.4325
|
| 55 |
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S 44.6613 64.5721 54.2943
|
| 56 |
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S 44.5718 64.6753 54.3160
|
| 57 |
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S 44.4128 64.6842 54.3543
|
| 58 |
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S 44.3564 64.5766 54.3662
|
| 59 |
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S 44.3057 64.5043 54.4183
|
| 60 |
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S 44.5062 64.5504 54.4333
|
| 61 |
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S 44.6623 64.5225 54.5364
|
| 62 |
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S 44.6544 64.4380 54.5762
|
| 63 |
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S 44.6607 64.3927 54.5547
|
| 64 |
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S 44.6591 64.4058 54.4736
|
| 65 |
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S 44.6991 64.4554 54.3528
|
| 66 |
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S 44.6350 64.4782 54.3095
|
| 67 |
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S 44.5229 64.4857 54.3471
|
| 68 |
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S 44.4910 64.3428 54.4230
|
| 69 |
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S 44.4965 64.1710 54.4273
|
| 70 |
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S 44.4567 64.0670 54.2711
|
| 71 |
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S 44.4361 64.1084 54.1439
|
| 72 |
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S 44.4585 64.2540 54.1261
|
| 73 |
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S 44.4473 64.3915 54.1753
|
| 74 |
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S 44.4149 64.4960 54.1275
|
| 75 |
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S 44.4184 64.6254 54.2199
|
| 76 |
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S 44.3839 64.6443 54.3932
|
| 77 |
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S 44.4268 64.7298 54.4230
|
| 78 |
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S 44.3885 64.9610 54.4454
|
| 79 |
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S 44.3304 65.3672 54.4229
|
| 80 |
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S 44.3880 65.8163 54.2948
|
| 81 |
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S 44.5786 66.0995 54.1052
|
| 82 |
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S 44.7470 66.3005 53.9771
|
| 83 |
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S 44.9419 66.4401 53.8498
|
| 84 |
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S 45.0974 66.4734 53.5491
|
| 85 |
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S 45.2085 66.5301 53.3672
|
| 86 |
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S 45.2985 66.6364 53.2676
|
| 87 |
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S 45.3653 66.6474 53.1648
|
| 88 |
+
S 45.4642 66.6878 53.0355
|
| 89 |
+
S 45.5624 66.7765 52.9410
|
5j6m_ligand_native_589/MCpath23.xyz
ADDED
|
@@ -0,0 +1,105 @@
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| 1 |
+
103
|
| 2 |
+
103
|
| 3 |
+
S 45.1685 64.1459 53.3923
|
| 4 |
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S 45.2149 64.1521 53.4347
|
| 5 |
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S 45.2407 64.2062 53.4731
|
| 6 |
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S 45.3170 64.2674 53.4288
|
| 7 |
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S 45.3628 64.3056 53.4284
|
| 8 |
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S 45.3345 64.3053 53.4157
|
| 9 |
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S 45.3143 64.3663 53.4602
|
| 10 |
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S 45.3479 64.4251 53.5063
|
| 11 |
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S 45.3701 64.4473 53.5272
|
| 12 |
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S 45.4710 64.4176 53.5633
|
| 13 |
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S 45.5081 64.3760 53.5440
|
| 14 |
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S 45.4897 64.3714 53.5354
|
| 15 |
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S 45.4687 64.4255 53.5825
|
| 16 |
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S 45.5097 64.3735 53.5980
|
| 17 |
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S 45.5727 64.3357 53.5799
|
| 18 |
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S 45.6347 64.2117 53.6178
|
| 19 |
+
S 45.6350 64.1354 53.6096
|
| 20 |
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S 45.5864 64.1422 53.5595
|
| 21 |
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S 45.4554 64.2079 53.6679
|
| 22 |
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S 45.3691 64.3264 53.7677
|
| 23 |
+
S 45.3135 64.4560 53.7272
|
| 24 |
+
S 45.2230 64.5061 53.7282
|
| 25 |
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S 45.1868 64.4963 53.7165
|
| 26 |
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S 45.1256 64.3661 53.6876
|
| 27 |
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S 45.1836 64.4246 53.7002
|
| 28 |
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S 45.2409 64.5883 53.7293
|
| 29 |
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S 45.3351 64.6414 53.6940
|
| 30 |
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S 45.3532 64.5984 53.6912
|
| 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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S 45.3994 64.3483 53.4642
|
| 44 |
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S 45.3732 64.2912 53.4346
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| 45 |
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S 45.3683 64.2125 53.3628
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| 46 |
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S 45.4751 64.2979 53.2633
|
| 47 |
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| 48 |
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S 45.6937 64.4160 53.1531
|
| 49 |
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S 45.7668 64.4472 53.0942
|
| 50 |
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S 45.7361 64.5533 53.0240
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| 51 |
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| 52 |
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|
| 53 |
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|
| 54 |
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S 45.7420 64.5544 53.0464
|
| 55 |
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S 45.6553 64.5029 53.0547
|
| 56 |
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| 57 |
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S 45.4538 64.4893 53.3000
|
| 58 |
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S 45.4711 64.5896 53.3984
|
| 59 |
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S 45.5503 64.6090 53.4708
|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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S 45.5113 64.5395 53.6945
|
| 64 |
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S 45.3874 64.4448 53.5708
|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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S 45.3814 64.4399 53.4529
|
| 69 |
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S 45.5944 64.5356 53.4106
|
| 70 |
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S 45.8176 64.6112 53.3665
|
| 71 |
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S 45.8494 64.6314 53.3372
|
| 72 |
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S 45.8000 64.6044 53.3614
|
| 73 |
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S 45.7813 64.5988 53.4090
|
| 74 |
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S 45.7634 64.6373 53.3632
|
| 75 |
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S 45.7633 64.6773 53.2903
|
| 76 |
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S 45.7702 64.6423 53.3113
|
| 77 |
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S 45.7725 64.6446 53.4424
|
| 78 |
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S 45.6911 64.6411 53.4564
|
| 79 |
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S 45.7113 64.6720 53.4157
|
| 80 |
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S 45.7466 64.7362 53.2461
|
| 81 |
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S 45.7788 64.9877 53.1188
|
| 82 |
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S 45.7836 65.5003 53.0195
|
| 83 |
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S 45.8034 66.0491 52.9183
|
| 84 |
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S 45.7587 66.2726 52.6721
|
| 85 |
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S 45.7532 66.3590 52.4652
|
| 86 |
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S 45.7034 66.3861 52.3761
|
| 87 |
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S 45.5887 66.3788 52.2294
|
| 88 |
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S 45.4985 66.4271 52.0962
|
| 89 |
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S 45.4879 66.5735 51.9596
|
| 90 |
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S 45.6329 66.5643 51.9739
|
| 91 |
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S 45.7333 66.5045 52.0670
|
| 92 |
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S 45.6379 66.3933 52.1860
|
| 93 |
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S 45.5023 66.2711 52.2570
|
| 94 |
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S 45.5131 66.1747 52.2587
|
| 95 |
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S 45.5842 66.0779 52.2862
|
| 96 |
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S 45.5228 66.0801 52.2805
|
| 97 |
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S 45.4395 66.0955 52.2954
|
| 98 |
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S 45.3548 66.2279 52.3930
|
| 99 |
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S 45.2590 66.4332 52.5237
|
| 100 |
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S 45.2331 66.4912 52.5836
|
| 101 |
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S 45.2474 66.5031 52.5207
|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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|
5j6m_ligand_native_589/MCpath24.xyz
ADDED
|
@@ -0,0 +1,70 @@
|
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|
| 1 |
+
68
|
| 2 |
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68
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| 3 |
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| 12 |
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| 13 |
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| 14 |
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| 21 |
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| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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S 45.7035 64.0468 52.1615
|
| 38 |
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S 45.7594 64.0602 52.1165
|
| 39 |
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S 45.8465 64.2209 52.1124
|
| 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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|
| 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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|
5j6m_ligand_native_589/MCpath25.xyz
ADDED
|
@@ -0,0 +1,123 @@
|
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| 1 |
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121
|
| 2 |
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121
|
| 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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| 12 |
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|
| 13 |
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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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| 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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| 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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| 63 |
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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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|
| 81 |
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|
| 82 |
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| 83 |
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| 84 |
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| 85 |
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| 86 |
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|
| 87 |
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| 88 |
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| 89 |
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| 90 |
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| 91 |
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| 92 |
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|
| 93 |
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|
| 94 |
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|
| 95 |
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S 44.3250 66.4252 51.6901
|
| 96 |
+
S 44.2895 66.5199 51.6770
|
| 97 |
+
S 44.3102 66.6548 51.7438
|
| 98 |
+
S 44.2995 66.6586 51.7721
|
| 99 |
+
S 44.2660 66.7022 51.7342
|
| 100 |
+
S 44.3456 66.8572 51.6716
|
| 101 |
+
S 44.3998 67.2054 51.6671
|
| 102 |
+
S 44.5427 67.4655 51.6231
|
| 103 |
+
S 44.7733 67.6546 51.6230
|
| 104 |
+
S 44.9011 67.8308 51.5987
|
| 105 |
+
S 45.0422 67.9129 51.6016
|
| 106 |
+
S 45.1675 67.9491 51.5821
|
| 107 |
+
S 45.2835 67.9175 51.5363
|
| 108 |
+
S 45.4064 67.9433 51.4311
|
| 109 |
+
S 45.4894 67.8989 51.2120
|
| 110 |
+
S 45.6056 67.9389 51.1173
|
| 111 |
+
S 45.6638 68.0140 51.0426
|
| 112 |
+
S 45.6968 68.0193 50.9246
|
| 113 |
+
S 45.7510 67.9672 50.7965
|
| 114 |
+
S 45.9205 67.9554 50.6806
|
| 115 |
+
S 45.9912 68.0049 50.6153
|
| 116 |
+
S 46.1108 68.0290 50.5155
|
| 117 |
+
S 46.2888 68.1309 50.3943
|
| 118 |
+
S 46.3794 68.2594 50.2521
|
| 119 |
+
S 46.3804 68.3240 50.2364
|
| 120 |
+
S 46.4141 68.3782 50.2684
|
| 121 |
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S 46.5707 68.4536 50.2899
|
| 122 |
+
S 46.7192 68.5803 50.2865
|
| 123 |
+
S 46.7132 68.6840 50.3110
|
5j6m_ligand_native_589/MCpath26.xyz
ADDED
|
@@ -0,0 +1,48 @@
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| 1 |
+
46
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| 2 |
+
46
|
| 3 |
+
S 45.1761 64.1150 53.3175
|
| 4 |
+
S 45.2089 64.0543 53.2868
|
| 5 |
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S 45.2255 63.9955 53.3123
|
| 6 |
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S 45.3264 63.9689 53.4369
|
| 7 |
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S 45.3773 64.0189 53.5243
|
| 8 |
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S 45.4354 64.1117 53.5254
|
| 9 |
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S 45.4633 64.1319 53.5315
|
| 10 |
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S 45.4160 64.1489 53.6180
|
| 11 |
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S 45.3831 64.1705 53.5935
|
| 12 |
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S 45.3373 64.2085 53.5687
|
| 13 |
+
S 45.2547 64.2146 53.5072
|
| 14 |
+
S 45.1557 64.2307 53.4504
|
| 15 |
+
S 45.1050 64.2531 53.4481
|
| 16 |
+
S 45.1973 64.2342 53.4771
|
| 17 |
+
S 45.3546 64.1994 53.5143
|
| 18 |
+
S 45.3987 64.2506 53.5525
|
| 19 |
+
S 45.4580 64.3488 53.5366
|
| 20 |
+
S 45.5107 64.5056 53.4137
|
| 21 |
+
S 45.6793 64.6222 53.3145
|
| 22 |
+
S 45.7900 64.6778 53.2528
|
| 23 |
+
S 45.8999 64.6531 53.1632
|
| 24 |
+
S 45.9511 64.5975 53.2184
|
| 25 |
+
S 46.0043 64.5825 53.2441
|
| 26 |
+
S 46.0582 64.4939 53.2766
|
| 27 |
+
S 46.0892 64.3563 53.4247
|
| 28 |
+
S 46.2555 64.1754 53.6078
|
| 29 |
+
S 46.4634 64.0638 53.6689
|
| 30 |
+
S 46.6587 64.1212 53.6767
|
| 31 |
+
S 46.7957 64.1474 53.6467
|
| 32 |
+
S 46.8212 64.0337 53.5476
|
| 33 |
+
S 46.8140 63.9986 53.3629
|
| 34 |
+
S 46.8228 64.1637 53.1949
|
| 35 |
+
S 46.7544 64.3574 53.0208
|
| 36 |
+
S 46.6115 64.5716 52.9421
|
| 37 |
+
S 46.5970 64.6757 52.7633
|
| 38 |
+
S 46.6783 64.7280 52.5770
|
| 39 |
+
S 46.7764 64.8737 52.4584
|
| 40 |
+
S 46.8428 65.0838 52.3287
|
| 41 |
+
S 46.8614 65.3124 52.2328
|
| 42 |
+
S 46.8731 65.5340 52.1590
|
| 43 |
+
S 46.8477 65.7177 52.0280
|
| 44 |
+
S 46.8541 65.8872 51.9212
|
| 45 |
+
S 46.8530 66.0202 51.8601
|
| 46 |
+
S 46.7696 66.1273 51.9512
|
| 47 |
+
S 46.7094 66.1773 51.9699
|
| 48 |
+
S 46.5958 66.1379 52.0418
|
5j6m_ligand_native_589/MCpath27.xyz
ADDED
|
@@ -0,0 +1,65 @@
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|
| 1 |
+
63
|
| 2 |
+
63
|
| 3 |
+
S 45.3775 64.1586 53.2367
|
| 4 |
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S 45.3750 64.0793 53.1809
|
| 5 |
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S 45.2993 64.0272 53.1294
|
| 6 |
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S 45.2119 64.0869 53.1391
|
| 7 |
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S 45.1384 64.2523 53.2303
|
| 8 |
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S 45.1218 64.3478 53.3347
|
| 9 |
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S 45.1408 64.3229 53.3815
|
| 10 |
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S 45.1466 64.2437 53.4183
|
| 11 |
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S 45.2482 64.2468 53.4991
|
| 12 |
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S 45.3741 64.2374 53.5797
|
| 13 |
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S 45.3816 64.2675 53.5569
|
| 14 |
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S 45.4469 64.2408 53.5862
|
| 15 |
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S 45.4417 64.2179 53.6011
|
| 16 |
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S 45.4119 64.2234 53.6448
|
| 17 |
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S 45.4146 64.2376 53.6624
|
| 18 |
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S 45.4723 64.2795 53.6959
|
| 19 |
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S 45.5503 64.3989 53.6438
|
| 20 |
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S 45.5279 64.4770 53.6399
|
| 21 |
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S 45.5774 64.4489 53.6885
|
| 22 |
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S 45.6397 64.3862 53.8678
|
| 23 |
+
S 45.6586 64.3099 53.9493
|
| 24 |
+
S 45.5995 64.2954 53.9284
|
| 25 |
+
S 45.4936 64.3312 53.9392
|
| 26 |
+
S 45.4404 64.3084 53.9406
|
| 27 |
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S 45.3978 64.2222 53.8599
|
| 28 |
+
S 45.3028 64.2775 53.7384
|
| 29 |
+
S 45.2691 64.3999 53.7829
|
| 30 |
+
S 45.2914 64.3747 53.7428
|
| 31 |
+
S 45.4125 64.3248 53.6558
|
| 32 |
+
S 45.4508 64.2573 53.4790
|
| 33 |
+
S 45.4554 64.2382 53.3062
|
| 34 |
+
S 45.4531 64.3896 53.2704
|
| 35 |
+
S 45.4618 64.5190 53.3063
|
| 36 |
+
S 45.5455 64.7074 53.2890
|
| 37 |
+
S 45.6046 64.7314 53.2190
|
| 38 |
+
S 45.5956 64.7273 53.1469
|
| 39 |
+
S 45.5897 64.8892 53.1233
|
| 40 |
+
S 45.5829 65.1850 53.0173
|
| 41 |
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S 45.5936 65.4306 52.8728
|
| 42 |
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S 45.7117 65.5182 52.6692
|
| 43 |
+
S 45.7889 65.5406 52.4239
|
| 44 |
+
S 45.7442 65.6888 52.1914
|
| 45 |
+
S 45.6989 65.7818 51.9940
|
| 46 |
+
S 45.6625 65.8284 51.9677
|
| 47 |
+
S 45.6890 65.8816 52.0055
|
| 48 |
+
S 45.6357 65.9698 52.0653
|
| 49 |
+
S 45.5511 65.8979 52.1656
|
| 50 |
+
S 45.5475 65.8088 52.2763
|
| 51 |
+
S 45.4573 65.6152 52.3694
|
| 52 |
+
S 45.3637 65.4227 52.3973
|
| 53 |
+
S 45.3019 65.3638 52.3610
|
| 54 |
+
S 45.3321 65.4182 52.3636
|
| 55 |
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S 45.3601 65.5240 52.3100
|
| 56 |
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S 45.4116 65.6202 52.1896
|
| 57 |
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S 45.4157 65.6956 52.1476
|
| 58 |
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S 45.3910 65.8451 52.1611
|
| 59 |
+
S 45.4313 66.0027 52.1535
|
| 60 |
+
S 45.3740 66.1390 52.1398
|
| 61 |
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S 45.3894 66.2696 52.1249
|
| 62 |
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S 45.4560 66.3544 52.1583
|
| 63 |
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S 45.4578 66.4088 52.1192
|
| 64 |
+
S 45.5553 66.5545 52.1077
|
| 65 |
+
S 45.6455 66.7319 52.0537
|
5j6m_ligand_native_589/MCpath28.xyz
ADDED
|
@@ -0,0 +1,84 @@
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| 1 |
+
82
|
| 2 |
+
82
|
| 3 |
+
S 45.4678 64.2385 53.2563
|
| 4 |
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S 45.4875 64.1795 53.2585
|
| 5 |
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S 45.6132 64.1701 53.2405
|
| 6 |
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S 45.6375 64.2323 53.1639
|
| 7 |
+
S 45.6035 64.2110 53.1030
|
| 8 |
+
S 45.4486 64.1434 53.1666
|
| 9 |
+
S 45.3219 64.1752 53.2403
|
| 10 |
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S 45.2870 64.2996 53.2946
|
| 11 |
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S 45.2483 64.4401 53.3062
|
| 12 |
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S 45.1604 64.5516 53.3301
|
| 13 |
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S 45.2491 64.5655 53.4228
|
| 14 |
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S 45.3904 64.4473 53.4608
|
| 15 |
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S 45.5132 64.3011 53.4722
|
| 16 |
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S 45.5194 64.2156 53.5017
|
| 17 |
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S 45.5014 64.1362 53.5274
|
| 18 |
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S 45.4295 64.0853 53.5632
|
| 19 |
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S 45.3832 64.0394 53.6375
|
| 20 |
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S 45.2927 64.0791 53.7118
|
| 21 |
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S 45.2829 64.1415 53.7454
|
| 22 |
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S 45.2471 64.2017 53.7613
|
| 23 |
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S 45.3126 64.2595 53.7286
|
| 24 |
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S 45.4092 64.2705 53.6638
|
| 25 |
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S 45.4723 64.2464 53.6357
|
| 26 |
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S 45.5001 64.3312 53.6496
|
| 27 |
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S 45.4343 64.3791 53.6544
|
| 28 |
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S 45.4731 64.4460 53.6429
|
| 29 |
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S 45.4540 64.4697 53.6598
|
| 30 |
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S 45.4043 64.5488 53.6706
|
| 31 |
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S 45.2960 64.6656 53.6392
|
| 32 |
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S 45.3582 64.6845 53.5715
|
| 33 |
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S 45.3634 64.5954 53.5159
|
| 34 |
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S 45.3758 64.4584 53.4975
|
| 35 |
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S 45.5281 64.3786 53.4782
|
| 36 |
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S 45.6059 64.3116 53.4011
|
| 37 |
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S 45.6711 64.3678 53.3921
|
| 38 |
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S 45.6741 64.4976 53.3598
|
| 39 |
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S 45.7281 64.5168 53.2991
|
| 40 |
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S 45.7462 64.5760 53.3569
|
| 41 |
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S 45.7336 64.6778 53.4682
|
| 42 |
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S 45.6950 64.6444 53.5641
|
| 43 |
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S 45.5319 64.4960 53.6021
|
| 44 |
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S 45.3171 64.4076 53.6190
|
| 45 |
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S 45.1940 64.2216 53.6300
|
| 46 |
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S 45.1022 64.1186 53.6331
|
| 47 |
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S 45.0925 64.2474 53.6886
|
| 48 |
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S 45.1615 64.4793 53.6848
|
| 49 |
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S 45.2587 64.6364 53.7395
|
| 50 |
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S 45.2929 64.5879 53.7585
|
| 51 |
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S 45.3706 64.4975 53.7809
|
| 52 |
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S 45.3435 64.4288 53.7561
|
| 53 |
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S 45.2394 64.3678 53.6447
|
| 54 |
+
S 45.1997 64.3445 53.5849
|
| 55 |
+
S 45.2742 64.3289 53.4604
|
| 56 |
+
S 45.4126 64.2599 53.4144
|
| 57 |
+
S 45.5446 64.3704 53.3895
|
| 58 |
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S 45.6056 64.5128 53.4293
|
| 59 |
+
S 45.7211 64.6129 53.4339
|
| 60 |
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S 45.7649 64.6806 53.3541
|
| 61 |
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S 45.7288 64.7118 53.2974
|
| 62 |
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S 45.7871 64.6261 53.2729
|
| 63 |
+
S 45.8725 64.5091 53.2099
|
| 64 |
+
S 46.0131 64.4622 53.1677
|
| 65 |
+
S 46.4074 64.4025 53.1178
|
| 66 |
+
S 47.0225 64.3106 53.0527
|
| 67 |
+
S 47.5583 64.1878 53.0403
|
| 68 |
+
S 48.0290 64.1540 53.0672
|
| 69 |
+
S 48.3391 64.1032 53.0572
|
| 70 |
+
S 48.4260 64.0484 53.0241
|
| 71 |
+
S 48.3678 64.0479 52.8847
|
| 72 |
+
S 48.2453 64.0188 52.7687
|
| 73 |
+
S 48.1436 64.0046 52.6874
|
| 74 |
+
S 48.0098 64.0546 52.6912
|
| 75 |
+
S 47.8600 64.2323 52.7093
|
| 76 |
+
S 47.7361 64.4033 52.6404
|
| 77 |
+
S 47.6319 64.5429 52.5636
|
| 78 |
+
S 47.6651 64.6442 52.5047
|
| 79 |
+
S 47.7418 64.7569 52.4097
|
| 80 |
+
S 47.8085 64.9265 52.3052
|
| 81 |
+
S 47.7840 65.1761 52.2272
|
| 82 |
+
S 47.6556 65.4051 52.2374
|
| 83 |
+
S 47.4973 65.6864 52.2740
|
| 84 |
+
S 47.4419 65.9051 52.1957
|
5j6m_ligand_native_589/MCpath29.xyz
ADDED
|
@@ -0,0 +1,107 @@
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|
| 1 |
+
105
|
| 2 |
+
105
|
| 3 |
+
S 45.2366 64.1234 53.3182
|
| 4 |
+
S 45.1897 64.1630 53.3334
|
| 5 |
+
S 45.1789 64.1981 53.3500
|
| 6 |
+
S 45.1860 64.1269 53.4086
|
| 7 |
+
S 45.2045 64.1090 53.4024
|
| 8 |
+
S 45.1955 64.1971 53.3587
|
| 9 |
+
S 45.1416 64.3540 53.3300
|
| 10 |
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S 45.1968 64.3854 53.3874
|
| 11 |
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S 45.3217 64.3363 53.4895
|
| 12 |
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S 45.4336 64.2961 53.4496
|
| 13 |
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S 45.4888 64.2151 53.4640
|
| 14 |
+
S 45.5259 64.2066 53.4543
|
| 15 |
+
S 45.5193 64.1546 53.3991
|
| 16 |
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S 45.5021 64.1337 53.3983
|
| 17 |
+
S 45.4172 64.1524 53.4350
|
| 18 |
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S 45.2334 64.1886 53.4024
|
| 19 |
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S 45.1943 64.3005 53.3858
|
| 20 |
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S 45.2422 64.3969 53.4497
|
| 21 |
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S 45.2566 64.5861 53.5402
|
| 22 |
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S 45.3050 64.7156 53.6112
|
| 23 |
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S 45.3774 64.6491 53.6324
|
| 24 |
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S 45.3941 64.5811 53.5740
|
| 25 |
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S 45.4855 64.5622 53.5661
|
| 26 |
+
S 45.6012 64.5870 53.5876
|
| 27 |
+
S 45.6192 64.5559 53.5864
|
| 28 |
+
S 45.6100 64.4404 53.4604
|
| 29 |
+
S 45.5696 64.4558 53.3701
|
| 30 |
+
S 45.4401 64.5560 53.3625
|
| 31 |
+
S 45.3672 64.5038 53.3658
|
| 32 |
+
S 45.3076 64.3946 53.4410
|
| 33 |
+
S 45.2504 64.4426 53.4583
|
| 34 |
+
S 45.3275 64.5371 53.5129
|
| 35 |
+
S 45.4353 64.5830 53.5900
|
| 36 |
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S 45.4684 64.6276 53.6083
|
| 37 |
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S 45.5011 64.7329 53.5258
|
| 38 |
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S 45.4795 64.9083 53.4252
|
| 39 |
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S 45.4766 65.0919 53.1999
|
| 40 |
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S 45.4668 65.3226 52.9838
|
| 41 |
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S 45.4723 65.4833 52.7427
|
| 42 |
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S 45.4294 65.5448 52.5438
|
| 43 |
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S 45.3574 65.6303 52.4039
|
| 44 |
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S 45.3151 65.7612 52.2202
|
| 45 |
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S 45.3093 65.8478 52.0614
|
| 46 |
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S 45.3782 65.8148 51.9871
|
| 47 |
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S 45.3030 65.7378 51.8532
|
| 48 |
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S 45.3863 65.6351 51.7737
|
| 49 |
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S 45.3981 65.6204 51.8121
|
| 50 |
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S 45.4448 65.5887 51.8189
|
| 51 |
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S 45.5163 65.5817 51.8809
|
| 52 |
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S 45.5570 65.5644 51.9623
|
| 53 |
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S 45.5186 65.4286 51.9314
|
| 54 |
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S 45.5681 65.3810 51.8436
|
| 55 |
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S 45.5923 65.3907 51.8170
|
| 56 |
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S 45.5876 65.3558 51.7519
|
| 57 |
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S 45.5328 65.3599 51.6966
|
| 58 |
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S 45.4851 65.3982 51.6380
|
| 59 |
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S 45.3799 65.4917 51.6909
|
| 60 |
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S 45.3791 65.5507 51.7275
|
| 61 |
+
S 45.3959 65.5534 51.6202
|
| 62 |
+
S 45.4498 65.5420 51.4807
|
| 63 |
+
S 45.4143 65.5189 51.3641
|
| 64 |
+
S 45.3810 65.4896 51.3161
|
| 65 |
+
S 45.3256 65.4863 51.3017
|
| 66 |
+
S 45.2640 65.4209 51.2993
|
| 67 |
+
S 45.2010 65.4842 51.3180
|
| 68 |
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S 45.1857 65.5365 51.3913
|
| 69 |
+
S 45.1983 65.6039 51.4245
|
| 70 |
+
S 45.2017 65.6274 51.4557
|
| 71 |
+
S 45.2344 65.6483 51.5110
|
| 72 |
+
S 45.2853 65.6328 51.4248
|
| 73 |
+
S 45.3781 65.6462 51.4465
|
| 74 |
+
S 45.4533 65.6255 51.4871
|
| 75 |
+
S 45.5457 65.6605 51.4965
|
| 76 |
+
S 45.5631 65.5667 51.4644
|
| 77 |
+
S 45.6142 65.5424 51.4127
|
| 78 |
+
S 45.6426 65.6083 51.3691
|
| 79 |
+
S 45.6414 65.6781 51.3402
|
| 80 |
+
S 45.6057 65.8560 51.3231
|
| 81 |
+
S 45.5858 66.2255 51.4116
|
| 82 |
+
S 45.5150 66.6782 51.5182
|
| 83 |
+
S 45.4213 66.9480 51.5421
|
| 84 |
+
S 45.3819 67.1461 51.6354
|
| 85 |
+
S 45.2373 67.1825 51.7149
|
| 86 |
+
S 45.1449 67.2882 51.7009
|
| 87 |
+
S 45.0277 67.4037 51.6177
|
| 88 |
+
S 45.0346 67.5005 51.4734
|
| 89 |
+
S 45.0916 67.6132 51.3354
|
| 90 |
+
S 45.1064 67.7514 51.2449
|
| 91 |
+
S 45.0247 67.7511 51.2383
|
| 92 |
+
S 44.8648 67.6346 51.3304
|
| 93 |
+
S 44.7072 67.5921 51.4903
|
| 94 |
+
S 44.5654 67.6089 51.6212
|
| 95 |
+
S 44.4784 67.6651 51.7075
|
| 96 |
+
S 44.4204 67.6527 51.7490
|
| 97 |
+
S 44.4821 67.6479 51.8296
|
| 98 |
+
S 44.5157 67.6688 51.8568
|
| 99 |
+
S 44.5848 67.7423 51.7219
|
| 100 |
+
S 44.6913 67.8270 51.6697
|
| 101 |
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S 44.7980 67.8447 51.7706
|
| 102 |
+
S 44.9195 67.9272 51.8706
|
| 103 |
+
S 45.0692 67.9563 51.8825
|
| 104 |
+
S 45.1762 68.0033 51.9139
|
| 105 |
+
S 45.4281 68.1650 51.9418
|
| 106 |
+
S 45.7693 68.3734 51.9666
|
| 107 |
+
S 46.0982 68.5062 51.8871
|
5j6m_ligand_native_589/MCpath3.xyz
ADDED
|
@@ -0,0 +1,69 @@
|
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|
|
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|
|
| 1 |
+
67
|
| 2 |
+
67
|
| 3 |
+
S 45.1865 63.9748 53.7294
|
| 4 |
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S 45.1738 64.0938 53.7943
|
| 5 |
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S 45.1559 64.1472 53.8012
|
| 6 |
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S 45.1105 64.1323 53.8416
|
| 7 |
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S 45.0779 64.1550 53.8662
|
| 8 |
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S 45.1222 64.1708 53.8362
|
| 9 |
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S 45.1480 64.1408 53.8293
|
| 10 |
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S 45.2048 64.1264 53.8089
|
| 11 |
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S 45.1844 64.1464 53.7689
|
| 12 |
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S 45.2091 64.1766 53.7133
|
| 13 |
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S 45.2907 64.2550 53.6286
|
| 14 |
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S 45.3365 64.3273 53.5786
|
| 15 |
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S 45.3926 64.3665 53.5296
|
| 16 |
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S 45.3710 64.3349 53.4663
|
| 17 |
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S 45.4623 64.2010 53.4100
|
| 18 |
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S 45.5496 64.0666 53.3238
|
| 19 |
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S 45.6309 64.0028 53.2469
|
| 20 |
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S 45.6348 64.0791 53.1635
|
| 21 |
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S 45.6360 64.1912 53.1154
|
| 22 |
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S 45.6832 64.2962 53.2149
|
| 23 |
+
S 45.6325 64.4111 53.3145
|
| 24 |
+
S 45.6065 64.3974 53.4323
|
| 25 |
+
S 45.5497 64.3811 53.4406
|
| 26 |
+
S 45.4546 64.3577 53.4637
|
| 27 |
+
S 45.4101 64.3510 53.4749
|
| 28 |
+
S 45.3992 64.3798 53.4938
|
| 29 |
+
S 45.3581 64.4955 53.5384
|
| 30 |
+
S 45.3204 64.6304 53.4634
|
| 31 |
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S 45.4089 64.6988 53.3764
|
| 32 |
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S 45.5138 64.7141 53.3732
|
| 33 |
+
S 45.5834 64.8219 53.3885
|
| 34 |
+
S 45.6046 64.9614 53.4172
|
| 35 |
+
S 45.6613 65.2424 53.4754
|
| 36 |
+
S 45.6966 65.4946 53.4194
|
| 37 |
+
S 45.7011 65.6141 53.3129
|
| 38 |
+
S 45.6831 65.7658 53.2050
|
| 39 |
+
S 45.6032 65.8445 53.1154
|
| 40 |
+
S 45.5386 65.8318 53.0471
|
| 41 |
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S 45.5099 65.8139 53.0948
|
| 42 |
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S 45.5151 65.8387 53.1976
|
| 43 |
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S 45.5191 65.9848 53.2710
|
| 44 |
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S 45.5597 66.0304 53.2589
|
| 45 |
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S 45.6488 66.0458 53.2787
|
| 46 |
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S 45.6452 66.0691 53.2571
|
| 47 |
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S 45.6383 66.0843 53.2875
|
| 48 |
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S 45.7550 66.0486 53.2430
|
| 49 |
+
S 45.8634 66.0144 53.2193
|
| 50 |
+
S 45.8240 66.1026 53.2256
|
| 51 |
+
S 45.7225 66.1591 53.2430
|
| 52 |
+
S 45.6014 66.2174 53.2892
|
| 53 |
+
S 45.5468 66.1906 53.3003
|
| 54 |
+
S 45.6476 66.1308 53.3021
|
| 55 |
+
S 45.8025 66.1333 53.3007
|
| 56 |
+
S 45.8225 66.1406 53.4101
|
| 57 |
+
S 45.7850 66.1754 53.5403
|
| 58 |
+
S 45.8374 66.2668 53.4758
|
| 59 |
+
S 45.8320 66.2676 53.3985
|
| 60 |
+
S 45.6818 66.2596 53.3663
|
| 61 |
+
S 45.5674 66.2784 53.3877
|
| 62 |
+
S 45.4323 66.2785 53.4677
|
| 63 |
+
S 45.4101 66.2870 53.5373
|
| 64 |
+
S 45.4783 66.3111 53.5473
|
| 65 |
+
S 45.5215 66.3382 53.4656
|
| 66 |
+
S 45.5602 66.4903 53.3460
|
| 67 |
+
S 45.5712 66.6227 53.3015
|
| 68 |
+
S 45.5344 66.7034 53.2486
|
| 69 |
+
S 45.5322 66.7713 53.1222
|
5j6m_ligand_native_589/MCpath30.xyz
ADDED
|
@@ -0,0 +1,111 @@
|
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|
| 1 |
+
109
|
| 2 |
+
109
|
| 3 |
+
S 45.5953 64.2290 53.0320
|
| 4 |
+
S 45.5582 64.2473 52.9976
|
| 5 |
+
S 45.5020 64.2026 53.0303
|
| 6 |
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S 45.4708 64.2124 53.0759
|
| 7 |
+
S 45.4724 64.2840 53.0661
|
| 8 |
+
S 45.4613 64.3818 53.0930
|
| 9 |
+
S 45.4687 64.4172 53.1385
|
| 10 |
+
S 45.5441 64.4007 53.1473
|
| 11 |
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S 45.6345 64.3408 53.2081
|
| 12 |
+
S 45.7069 64.2720 53.3131
|
| 13 |
+
S 45.7204 64.2720 53.3494
|
| 14 |
+
S 45.6804 64.2160 53.3258
|
| 15 |
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S 45.6542 64.1484 53.2857
|
| 16 |
+
S 45.5383 64.0651 53.3827
|
| 17 |
+
S 45.5209 64.0484 53.4590
|
| 18 |
+
S 45.4871 64.0768 53.5191
|
| 19 |
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S 45.4109 64.2046 53.5869
|
| 20 |
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S 45.3793 64.3114 53.6313
|
| 21 |
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S 45.3328 64.3178 53.6566
|
| 22 |
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S 45.2471 64.3033 53.6899
|
| 23 |
+
S 45.1623 64.2520 53.6440
|
| 24 |
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S 45.1272 64.2192 53.6544
|
| 25 |
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S 45.0948 64.2113 53.7846
|
| 26 |
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S 45.0618 64.2608 53.8399
|
| 27 |
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S 44.9329 64.3321 53.8243
|
| 28 |
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S 44.7303 64.4159 53.7464
|
| 29 |
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S 44.4969 64.4706 53.6667
|
| 30 |
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S 44.4071 64.5229 53.6337
|
| 31 |
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S 44.4069 64.5090 53.6449
|
| 32 |
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S 44.4072 64.4433 53.7251
|
| 33 |
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S 44.3440 64.3527 53.8293
|
| 34 |
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S 44.2683 64.3788 53.9189
|
| 35 |
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S 44.2921 64.4410 54.0837
|
| 36 |
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S 44.3367 64.4983 54.3356
|
| 37 |
+
S 44.3180 64.4782 54.5488
|
| 38 |
+
S 44.2966 64.3600 54.7195
|
| 39 |
+
S 44.3836 64.2338 54.8288
|
| 40 |
+
S 44.4981 64.1474 54.9238
|
| 41 |
+
S 44.5387 64.1240 55.0178
|
| 42 |
+
S 44.6075 64.0385 55.0419
|
| 43 |
+
S 44.7534 63.9644 54.9048
|
| 44 |
+
S 44.8630 63.9674 54.7894
|
| 45 |
+
S 44.8850 64.0169 54.6678
|
| 46 |
+
S 44.7898 64.1029 54.6008
|
| 47 |
+
S 44.6627 64.1797 54.5495
|
| 48 |
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S 44.5063 64.3239 54.5110
|
| 49 |
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S 44.5138 64.3921 54.4732
|
| 50 |
+
S 44.5383 64.3129 54.4815
|
| 51 |
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S 44.4723 64.3480 54.5862
|
| 52 |
+
S 44.3538 64.3734 54.7227
|
| 53 |
+
S 44.3093 64.3409 54.8314
|
| 54 |
+
S 44.4426 64.4082 54.7886
|
| 55 |
+
S 44.4351 64.4166 54.8251
|
| 56 |
+
S 44.4458 64.2985 54.8635
|
| 57 |
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S 44.4254 64.3823 54.8073
|
| 58 |
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S 44.4318 64.5627 54.8075
|
| 59 |
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S 44.4228 64.5789 54.7917
|
| 60 |
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S 44.3039 64.5539 54.7249
|
| 61 |
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S 44.2488 64.5961 54.6431
|
| 62 |
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S 44.2937 64.5607 54.6027
|
| 63 |
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S 44.3564 64.5114 54.5436
|
| 64 |
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S 44.4214 64.5635 54.4660
|
| 65 |
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S 44.4865 64.4537 54.3915
|
| 66 |
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S 44.5428 64.4024 54.4090
|
| 67 |
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S 44.6154 64.4342 54.4726
|
| 68 |
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S 44.6677 64.4628 54.5158
|
| 69 |
+
S 44.5739 64.4637 54.6123
|
| 70 |
+
S 44.5290 64.4741 54.6215
|
| 71 |
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S 44.5279 64.4453 54.4907
|
| 72 |
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S 44.4856 64.4210 54.4153
|
| 73 |
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S 44.4619 64.4105 54.4714
|
| 74 |
+
S 44.4790 64.4603 54.4966
|
| 75 |
+
S 44.5516 64.4709 54.3915
|
| 76 |
+
S 44.6279 64.5306 54.3338
|
| 77 |
+
S 44.5062 64.5804 54.4727
|
| 78 |
+
S 44.4855 64.5548 54.5359
|
| 79 |
+
S 44.4441 64.5935 54.5580
|
| 80 |
+
S 44.3900 64.7237 54.6641
|
| 81 |
+
S 44.3919 64.9781 54.6381
|
| 82 |
+
S 44.4553 65.4748 54.4473
|
| 83 |
+
S 44.5855 65.8499 54.3030
|
| 84 |
+
S 44.6585 66.0461 54.1329
|
| 85 |
+
S 44.6847 66.2217 53.9953
|
| 86 |
+
S 44.8671 66.2874 53.9326
|
| 87 |
+
S 45.0914 66.2878 53.7460
|
| 88 |
+
S 45.3254 66.3444 53.5866
|
| 89 |
+
S 45.3958 66.4450 53.4637
|
| 90 |
+
S 45.3534 66.5534 53.2938
|
| 91 |
+
S 45.3772 66.6727 52.9729
|
| 92 |
+
S 45.3537 66.7352 52.7441
|
| 93 |
+
S 45.2421 66.6442 52.6334
|
| 94 |
+
S 45.2248 66.4751 52.5238
|
| 95 |
+
S 45.2195 66.2771 52.5198
|
| 96 |
+
S 45.3189 66.1404 52.5231
|
| 97 |
+
S 45.3402 65.9242 52.4926
|
| 98 |
+
S 45.3421 65.8712 52.5240
|
| 99 |
+
S 45.2521 65.9552 52.5353
|
| 100 |
+
S 45.2247 65.9648 52.5076
|
| 101 |
+
S 45.2701 65.9942 52.5081
|
| 102 |
+
S 45.2916 66.1026 52.4777
|
| 103 |
+
S 45.2515 66.1395 52.4671
|
| 104 |
+
S 45.2449 66.1834 52.4511
|
| 105 |
+
S 45.2515 66.3305 52.5171
|
| 106 |
+
S 45.2333 66.4443 52.5089
|
| 107 |
+
S 45.2950 66.4969 52.4391
|
| 108 |
+
S 45.3615 66.4946 52.3122
|
| 109 |
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S 45.3064 66.5520 52.2267
|
| 110 |
+
S 45.2417 66.6753 52.1734
|
| 111 |
+
S 45.2106 66.7908 52.1198
|
5j6m_ligand_native_589/MCpath31.xyz
ADDED
|
@@ -0,0 +1,87 @@
|
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|
| 1 |
+
85
|
| 2 |
+
85
|
| 3 |
+
S 45.7156 64.0915 53.0597
|
| 4 |
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| 5 |
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|
| 6 |
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|
| 7 |
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S 45.6653 64.2637 53.2102
|
| 8 |
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S 45.5806 64.3142 53.2071
|
| 9 |
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S 45.5097 64.4045 53.1867
|
| 10 |
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S 45.4700 64.4100 53.1628
|
| 11 |
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|
| 12 |
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S 45.4767 64.2671 53.1284
|
| 13 |
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S 45.3633 64.2325 53.1912
|
| 14 |
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|
| 15 |
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S 45.3138 64.1623 53.3543
|
| 16 |
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S 45.2598 64.2179 53.4145
|
| 17 |
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S 45.2303 64.2517 53.5322
|
| 18 |
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S 45.2496 64.2438 53.6450
|
| 19 |
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|
| 20 |
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|
| 21 |
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S 45.3290 64.3044 54.1934
|
| 22 |
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S 45.3798 64.1986 54.2698
|
| 23 |
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S 45.4146 64.1138 54.2868
|
| 24 |
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S 45.3849 64.1409 54.2588
|
| 25 |
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S 45.3203 64.1051 54.2120
|
| 26 |
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S 45.3171 64.1495 54.1816
|
| 27 |
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S 45.2502 64.1727 54.2257
|
| 28 |
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S 45.2060 64.2444 54.3717
|
| 29 |
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S 45.1903 64.4444 54.5662
|
| 30 |
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S 45.3154 64.4348 54.7705
|
| 31 |
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S 45.5091 64.4515 54.9092
|
| 32 |
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S 45.6560 64.5431 55.0583
|
| 33 |
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S 45.6936 64.5395 55.0020
|
| 34 |
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S 45.8305 64.3732 54.8996
|
| 35 |
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S 45.8639 64.3719 54.7448
|
| 36 |
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S 45.7207 64.3774 54.6107
|
| 37 |
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S 45.6543 64.4307 54.4974
|
| 38 |
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S 45.6074 64.4270 54.4413
|
| 39 |
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S 45.5883 64.4705 54.3813
|
| 40 |
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S 45.5598 64.5811 54.4066
|
| 41 |
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S 45.5074 64.5570 54.3704
|
| 42 |
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S 45.3934 64.5436 54.3244
|
| 43 |
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S 45.2915 64.6351 54.2888
|
| 44 |
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S 45.2451 64.7920 54.3108
|
| 45 |
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S 45.2052 64.8870 54.2795
|
| 46 |
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S 45.0890 65.0604 54.3166
|
| 47 |
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S 45.1520 65.2808 54.3619
|
| 48 |
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S 45.2801 65.4219 54.3180
|
| 49 |
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S 45.3025 65.5805 54.3584
|
| 50 |
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S 45.3366 65.7234 54.4099
|
| 51 |
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S 45.3902 65.7378 54.4937
|
| 52 |
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S 45.3583 65.7271 54.4615
|
| 53 |
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S 45.3530 65.6927 54.3855
|
| 54 |
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S 45.4633 65.6548 54.3196
|
| 55 |
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S 45.5790 65.8436 54.2244
|
| 56 |
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S 45.6845 65.9347 54.1294
|
| 57 |
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S 45.7020 65.9118 54.0720
|
| 58 |
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S 45.6559 65.8382 54.0486
|
| 59 |
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S 45.5374 65.9331 53.9065
|
| 60 |
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S 45.3318 65.9624 53.6839
|
| 61 |
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S 45.2790 65.9133 53.3376
|
| 62 |
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S 45.4075 65.9001 52.9639
|
| 63 |
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S 45.5611 65.8873 52.7178
|
| 64 |
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S 45.5377 65.8138 52.6077
|
| 65 |
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S 45.6109 65.6852 52.5757
|
| 66 |
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S 45.7073 65.5895 52.5067
|
| 67 |
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S 45.7401 65.5274 52.2880
|
| 68 |
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S 45.7406 65.4372 52.1310
|
| 69 |
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S 45.7250 65.4363 51.9910
|
| 70 |
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S 45.6099 65.3419 52.0171
|
| 71 |
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S 45.4989 65.3996 52.1288
|
| 72 |
+
S 45.3834 65.4660 52.1099
|
| 73 |
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S 45.3730 65.4490 52.0332
|
| 74 |
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S 45.4581 65.5115 51.9510
|
| 75 |
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S 45.4244 65.5426 52.0854
|
| 76 |
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S 45.2958 65.6172 52.1051
|
| 77 |
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S 45.2668 65.7277 51.9544
|
| 78 |
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S 45.3012 65.8327 51.8425
|
| 79 |
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S 45.3088 65.9367 51.8807
|
| 80 |
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S 45.3541 66.0143 51.9861
|
| 81 |
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S 45.4600 66.0956 52.1416
|
| 82 |
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S 45.7011 66.2652 52.2421
|
| 83 |
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S 45.8018 66.3645 52.3362
|
| 84 |
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S 45.7959 66.4129 52.3441
|
| 85 |
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S 45.7855 66.4790 52.3651
|
| 86 |
+
S 45.6770 66.5721 52.2985
|
| 87 |
+
S 45.6014 66.7525 52.2449
|
5j6m_ligand_native_589/MCpath32.xyz
ADDED
|
@@ -0,0 +1,57 @@
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| 1 |
+
55
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| 2 |
+
55
|
| 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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S 45.3696 64.2702 53.6014
|
| 23 |
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S 45.3887 64.2381 53.6492
|
| 24 |
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S 45.3906 64.2886 53.6466
|
| 25 |
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S 45.3802 64.3549 53.6065
|
| 26 |
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S 45.3871 64.3596 53.5228
|
| 27 |
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S 45.4264 64.4361 53.3731
|
| 28 |
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S 45.4887 64.5625 53.2901
|
| 29 |
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S 45.6030 64.6451 53.2342
|
| 30 |
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S 45.7203 64.7157 53.2437
|
| 31 |
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S 45.7498 64.7931 53.2404
|
| 32 |
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S 45.7948 64.9052 53.2574
|
| 33 |
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S 45.7797 64.9628 53.2608
|
| 34 |
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|
| 35 |
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S 45.6443 65.1587 53.2031
|
| 36 |
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S 45.5609 65.2336 53.0754
|
| 37 |
+
S 45.5326 65.3391 53.0853
|
| 38 |
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S 45.4863 65.5310 53.1192
|
| 39 |
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S 45.4417 65.7036 53.1004
|
| 40 |
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S 45.3324 65.7922 53.0021
|
| 41 |
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S 45.2975 65.7668 52.9437
|
| 42 |
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S 45.2593 65.6827 52.8934
|
| 43 |
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S 45.3078 65.7116 52.6560
|
| 44 |
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S 45.3148 65.8035 52.4530
|
| 45 |
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S 45.3185 65.9954 52.4537
|
| 46 |
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S 45.3098 66.0812 52.4661
|
| 47 |
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S 45.3204 66.0220 52.4180
|
| 48 |
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S 45.4735 65.9393 52.3956
|
| 49 |
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S 45.4730 65.8940 52.3662
|
| 50 |
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S 45.5022 65.9287 52.3304
|
| 51 |
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S 45.5317 66.0101 52.2859
|
| 52 |
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S 45.6283 66.0760 52.2123
|
| 53 |
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S 45.6267 66.0862 52.1193
|
| 54 |
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S 45.6396 66.1695 52.1126
|
| 55 |
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S 45.7022 66.3547 52.1322
|
| 56 |
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S 45.8278 66.4974 52.1850
|
| 57 |
+
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|
5j6m_ligand_native_589/MCpath33.xyz
ADDED
|
@@ -0,0 +1,87 @@
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|
| 1 |
+
85
|
| 2 |
+
85
|
| 3 |
+
S 45.4579 63.9054 53.2219
|
| 4 |
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S 45.3449 64.0246 53.3151
|
| 5 |
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S 45.3271 64.0256 53.3693
|
| 6 |
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S 45.2604 63.9572 53.3349
|
| 7 |
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S 45.2206 63.8909 53.3443
|
| 8 |
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S 45.3046 63.8303 53.4083
|
| 9 |
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S 45.3372 63.7562 53.4207
|
| 10 |
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S 45.3201 63.7553 53.4463
|
| 11 |
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S 45.3322 63.6911 53.4394
|
| 12 |
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S 45.4132 63.6117 53.4816
|
| 13 |
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S 45.5085 63.5681 53.4727
|
| 14 |
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S 45.6017 63.6357 53.5032
|
| 15 |
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S 45.6233 63.6845 53.5088
|
| 16 |
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S 45.6209 63.7038 53.5375
|
| 17 |
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S 45.5257 63.7171 53.5236
|
| 18 |
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S 45.5177 63.7358 53.5322
|
| 19 |
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S 45.5182 63.7101 53.5692
|
| 20 |
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S 45.5244 63.6005 53.5645
|
| 21 |
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S 45.4655 63.5339 53.5931
|
| 22 |
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S 45.4713 63.4297 53.6438
|
| 23 |
+
S 45.5678 63.3657 53.6013
|
| 24 |
+
S 45.6811 63.3978 53.6445
|
| 25 |
+
S 45.6887 63.3525 53.7423
|
| 26 |
+
S 45.6385 63.3142 53.7675
|
| 27 |
+
S 45.5738 63.4210 53.7319
|
| 28 |
+
S 45.4720 63.5161 53.7557
|
| 29 |
+
S 45.3690 63.5924 53.8121
|
| 30 |
+
S 45.3755 63.6284 53.8211
|
| 31 |
+
S 45.3332 63.7154 53.7946
|
| 32 |
+
S 45.2878 63.7589 53.7249
|
| 33 |
+
S 45.3598 63.7483 53.6076
|
| 34 |
+
S 45.3163 63.6519 53.4945
|
| 35 |
+
S 45.2811 63.5868 53.4083
|
| 36 |
+
S 45.2711 63.5470 53.2448
|
| 37 |
+
S 45.3139 63.5428 53.2037
|
| 38 |
+
S 45.2806 63.5239 53.1947
|
| 39 |
+
S 45.3243 63.4522 53.2382
|
| 40 |
+
S 45.3029 63.4715 53.3199
|
| 41 |
+
S 45.3284 63.5519 53.4306
|
| 42 |
+
S 45.3312 63.5723 53.4888
|
| 43 |
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S 45.4307 63.5085 53.5651
|
| 44 |
+
S 45.5664 63.5303 53.5907
|
| 45 |
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S 45.6676 63.5931 53.5573
|
| 46 |
+
S 45.7493 63.6071 53.6136
|
| 47 |
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S 45.6749 63.7659 53.6992
|
| 48 |
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S 45.5640 64.0800 53.6392
|
| 49 |
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S 45.4680 64.5034 53.5614
|
| 50 |
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S 45.3521 64.9113 53.4267
|
| 51 |
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S 45.2379 65.1263 53.2933
|
| 52 |
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S 45.2154 65.2457 53.1338
|
| 53 |
+
S 45.2394 65.4054 52.9627
|
| 54 |
+
S 45.3754 65.4421 52.8172
|
| 55 |
+
S 45.4622 65.4721 52.6292
|
| 56 |
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S 45.5399 65.5660 52.4330
|
| 57 |
+
S 45.6437 65.6701 52.3936
|
| 58 |
+
S 45.6783 65.7013 52.3033
|
| 59 |
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S 45.6464 65.8065 52.1661
|
| 60 |
+
S 45.5850 65.8946 52.1517
|
| 61 |
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S 45.5508 65.8894 52.2055
|
| 62 |
+
S 45.5158 65.8077 52.1758
|
| 63 |
+
S 45.4537 65.7606 52.0657
|
| 64 |
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S 45.3434 65.7273 51.9899
|
| 65 |
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S 45.1992 65.6704 52.1088
|
| 66 |
+
S 45.1266 65.6147 52.1076
|
| 67 |
+
S 45.1232 65.5517 52.0247
|
| 68 |
+
S 45.2150 65.4218 51.8772
|
| 69 |
+
S 45.2992 65.3729 51.7935
|
| 70 |
+
S 45.3745 65.3247 51.7656
|
| 71 |
+
S 45.3904 65.2085 51.7648
|
| 72 |
+
S 45.3790 65.0895 51.8801
|
| 73 |
+
S 45.2887 65.0534 52.0479
|
| 74 |
+
S 45.2431 65.0431 52.2338
|
| 75 |
+
S 45.2451 64.9941 52.2515
|
| 76 |
+
S 45.3409 65.0635 52.2934
|
| 77 |
+
S 45.5287 65.1231 52.3255
|
| 78 |
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S 45.6567 65.1931 52.3764
|
| 79 |
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S 45.7287 65.2638 52.3258
|
| 80 |
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S 45.7169 65.2846 52.2129
|
| 81 |
+
S 45.7062 65.4031 52.2280
|
| 82 |
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S 45.6376 65.5223 52.3123
|
| 83 |
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S 45.5247 65.7341 52.3279
|
| 84 |
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S 45.3430 65.9656 52.3292
|
| 85 |
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S 45.2157 66.2814 52.4525
|
| 86 |
+
S 45.1895 66.6168 52.5300
|
| 87 |
+
S 45.1887 66.9073 52.5539
|
5j6m_ligand_native_589/MCpath34.xyz
ADDED
|
@@ -0,0 +1,67 @@
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| 1 |
+
65
|
| 2 |
+
65
|
| 3 |
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S 45.2405 64.1504 53.4165
|
| 4 |
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| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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S 45.3943 64.0550 53.6655
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| 12 |
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S 45.5347 64.0959 53.6391
|
| 13 |
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|
| 14 |
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S 45.6055 64.2376 53.4366
|
| 15 |
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S 45.5188 64.3827 53.3612
|
| 16 |
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|
| 17 |
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S 45.2856 64.5593 53.3293
|
| 18 |
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S 45.3184 64.4441 53.2397
|
| 19 |
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S 45.3089 64.4057 53.2098
|
| 20 |
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S 45.3749 64.3859 53.2055
|
| 21 |
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S 45.4004 64.4288 53.2968
|
| 22 |
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S 45.4534 64.5470 53.5027
|
| 23 |
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S 45.5370 64.5261 53.6889
|
| 24 |
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S 45.5965 64.4538 53.7497
|
| 25 |
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S 45.6192 64.2958 53.7938
|
| 26 |
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S 45.5645 64.3067 53.7942
|
| 27 |
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S 45.4544 64.3824 53.6708
|
| 28 |
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S 45.3233 64.4636 53.6151
|
| 29 |
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S 45.2082 64.6142 53.5314
|
| 30 |
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S 45.1747 64.7396 53.3758
|
| 31 |
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S 45.1703 64.6811 53.2483
|
| 32 |
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S 45.2865 64.7399 53.1559
|
| 33 |
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S 45.4240 64.8391 53.1752
|
| 34 |
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S 45.4600 65.1016 53.2083
|
| 35 |
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S 45.4522 65.3117 53.2135
|
| 36 |
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S 45.4433 65.4359 53.1700
|
| 37 |
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S 45.4104 65.6814 53.0920
|
| 38 |
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S 45.3786 65.9414 52.9764
|
| 39 |
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S 45.4562 66.0677 52.7929
|
| 40 |
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S 45.5830 66.0450 52.5559
|
| 41 |
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S 45.6501 66.0208 52.3447
|
| 42 |
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S 45.6945 66.1264 52.2106
|
| 43 |
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S 45.6265 66.2029 52.2312
|
| 44 |
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S 45.5086 66.1419 52.2242
|
| 45 |
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S 45.4396 66.0112 52.3297
|
| 46 |
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S 45.3820 65.8599 52.4426
|
| 47 |
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S 45.2633 65.7443 52.5993
|
| 48 |
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S 45.1962 65.6470 52.6248
|
| 49 |
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S 45.2690 65.6852 52.4587
|
| 50 |
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S 45.2912 65.7811 52.2336
|
| 51 |
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S 45.3339 65.9583 52.1118
|
| 52 |
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S 45.3779 66.1508 52.1254
|
| 53 |
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S 45.4344 66.2278 52.1434
|
| 54 |
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S 45.4519 66.2426 52.0813
|
| 55 |
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S 45.4745 66.3512 52.1208
|
| 56 |
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S 45.3084 66.4825 52.2465
|
| 57 |
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S 45.2667 66.5047 52.2613
|
| 58 |
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S 45.2431 66.5150 52.2652
|
| 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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S 45.3394 66.7092 52.2529
|
| 67 |
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S 45.2937 66.7192 52.2481
|
5j6m_ligand_native_589/MCpath35.xyz
ADDED
|
@@ -0,0 +1,47 @@
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| 1 |
+
45
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| 2 |
+
45
|
| 3 |
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S 45.3653 64.1838 53.5179
|
| 4 |
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| 5 |
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S 45.2486 64.1714 53.6456
|
| 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 45.3608 64.3341 53.8942
|
| 11 |
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S 45.4669 64.3407 53.8696
|
| 12 |
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S 45.4705 64.3231 53.8200
|
| 13 |
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S 45.4063 64.2965 53.8339
|
| 14 |
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S 45.3458 64.2646 53.7903
|
| 15 |
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S 45.2758 64.2407 53.7688
|
| 16 |
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S 45.2375 64.2293 53.7845
|
| 17 |
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S 45.3181 64.2010 53.6460
|
| 18 |
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S 45.2992 64.1431 53.5632
|
| 19 |
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S 45.3199 64.1190 53.5381
|
| 20 |
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S 45.4350 64.0668 53.4334
|
| 21 |
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S 45.5767 64.0422 53.3056
|
| 22 |
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S 45.7466 64.1127 53.2304
|
| 23 |
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S 45.9014 64.1821 53.2660
|
| 24 |
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S 45.9933 64.2551 53.2634
|
| 25 |
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S 46.0834 64.2717 53.2948
|
| 26 |
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S 46.2318 64.2121 53.3376
|
| 27 |
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S 46.3180 64.2026 53.3943
|
| 28 |
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S 46.4229 64.2346 53.4262
|
| 29 |
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S 46.5698 64.2440 53.2863
|
| 30 |
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S 46.7093 64.4149 53.1572
|
| 31 |
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S 46.8100 64.4914 53.0268
|
| 32 |
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S 46.8901 64.4455 52.8641
|
| 33 |
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S 46.9620 64.4284 52.7522
|
| 34 |
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S 47.0607 64.4493 52.7668
|
| 35 |
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S 47.0455 64.3587 52.8160
|
| 36 |
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S 46.9614 64.3017 52.8292
|
| 37 |
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S 46.8958 64.3767 52.7152
|
| 38 |
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S 46.8092 64.4306 52.4716
|
| 39 |
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S 46.7437 64.5291 52.2967
|
| 40 |
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S 46.6941 64.5748 52.3096
|
| 41 |
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S 46.6616 64.6200 52.4050
|
| 42 |
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S 46.6533 64.7574 52.4183
|
| 43 |
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S 46.5880 64.9318 52.3053
|
| 44 |
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S 46.4964 65.1748 52.2889
|
| 45 |
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S 46.4561 65.3671 52.3175
|
| 46 |
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S 46.4776 65.6340 52.4403
|
| 47 |
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S 46.5873 65.7545 52.5337
|
5j6m_ligand_native_589/MCpath36.xyz
ADDED
|
@@ -0,0 +1,95 @@
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| 1 |
+
93
|
| 2 |
+
93
|
| 3 |
+
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| 4 |
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|
| 5 |
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S 45.2442 64.1539 53.4699
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| 6 |
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|
| 7 |
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|
| 8 |
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S 45.3836 64.1377 53.3338
|
| 9 |
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|
| 10 |
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| 11 |
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| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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S 45.6965 64.4330 53.2310
|
| 29 |
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S 45.7071 64.5249 53.1237
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| 30 |
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S 45.7139 64.5293 53.0778
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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 45.7331 65.3205 52.8338
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| 38 |
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S 45.6743 65.4819 52.6733
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| 39 |
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| 40 |
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S 45.5800 65.6643 52.5361
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| 41 |
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|
| 42 |
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S 45.7015 65.8504 52.4611
|
| 43 |
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S 45.6471 65.7835 52.5481
|
| 44 |
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S 45.5688 65.6880 52.5425
|
| 45 |
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S 45.5095 65.6046 52.4046
|
| 46 |
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S 45.4350 65.5348 52.2560
|
| 47 |
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S 45.4025 65.5590 52.1389
|
| 48 |
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S 45.2561 65.5992 52.0504
|
| 49 |
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S 45.1457 65.6942 51.9638
|
| 50 |
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S 44.9895 65.6988 51.9202
|
| 51 |
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S 44.7692 65.6093 51.8924
|
| 52 |
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S 44.5923 65.5075 51.9021
|
| 53 |
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S 44.4800 65.4842 51.9124
|
| 54 |
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S 44.5438 65.4615 51.9289
|
| 55 |
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S 44.5751 65.3630 51.9709
|
| 56 |
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S 44.6710 65.2885 52.0001
|
| 57 |
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S 44.7138 65.3798 52.1202
|
| 58 |
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S 44.5716 65.4160 52.3348
|
| 59 |
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S 44.4239 65.4986 52.5060
|
| 60 |
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S 44.2825 65.4939 52.4788
|
| 61 |
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S 44.2341 65.4589 52.4765
|
| 62 |
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S 44.1653 65.4188 52.5335
|
| 63 |
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S 44.1795 65.3269 52.6115
|
| 64 |
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S 44.1681 65.2672 52.6663
|
| 65 |
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S 44.1557 65.2522 52.7021
|
| 66 |
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S 44.2220 65.2608 52.6932
|
| 67 |
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S 44.2870 65.2382 52.6169
|
| 68 |
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S 44.2577 65.2646 52.6596
|
| 69 |
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S 44.2102 65.3388 52.7784
|
| 70 |
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S 44.1004 65.4062 52.8813
|
| 71 |
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S 44.0149 65.4362 52.9483
|
| 72 |
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S 44.1053 65.4537 52.9597
|
| 73 |
+
S 44.2582 65.4825 52.8710
|
| 74 |
+
S 44.3112 65.4873 52.7961
|
| 75 |
+
S 44.2894 65.5554 52.7170
|
| 76 |
+
S 44.2913 65.5352 52.6549
|
| 77 |
+
S 44.2262 65.4469 52.6435
|
| 78 |
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S 44.2930 65.3869 52.7026
|
| 79 |
+
S 44.3894 65.4184 52.7021
|
| 80 |
+
S 44.4895 65.4651 52.5650
|
| 81 |
+
S 44.6433 65.5578 52.4538
|
| 82 |
+
S 44.7157 65.5468 52.4501
|
| 83 |
+
S 44.7842 65.4322 52.3349
|
| 84 |
+
S 44.7438 65.3530 52.2466
|
| 85 |
+
S 44.7067 65.3590 52.2356
|
| 86 |
+
S 44.5740 65.4027 52.2768
|
| 87 |
+
S 44.5676 65.4681 52.2789
|
| 88 |
+
S 44.5250 65.5113 52.2271
|
| 89 |
+
S 44.6243 65.5923 52.2436
|
| 90 |
+
S 44.6429 65.7376 52.2099
|
| 91 |
+
S 44.6804 66.0318 52.1860
|
| 92 |
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S 44.7444 66.4329 52.2457
|
| 93 |
+
S 44.7937 66.7471 52.2846
|
| 94 |
+
S 44.9233 66.8319 52.3074
|
| 95 |
+
S 45.0675 66.9057 52.3215
|
5j6m_ligand_native_589/MCpath37.xyz
ADDED
|
@@ -0,0 +1,100 @@
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| 1 |
+
98
|
| 2 |
+
98
|
| 3 |
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S 45.5582 64.3689 53.0289
|
| 4 |
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| 5 |
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S 45.5550 64.3397 52.9757
|
| 6 |
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S 45.5265 64.2939 52.9841
|
| 7 |
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S 45.5056 64.2962 53.0576
|
| 8 |
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S 45.4986 64.3684 53.1819
|
| 9 |
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S 45.4283 64.4084 53.2245
|
| 10 |
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S 45.3201 64.4162 53.2490
|
| 11 |
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S 45.2368 64.4356 53.2396
|
| 12 |
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S 45.2058 64.4533 53.2025
|
| 13 |
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S 45.2253 64.4218 53.2458
|
| 14 |
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S 45.2930 64.2942 53.3030
|
| 15 |
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S 45.3151 64.2273 53.3644
|
| 16 |
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S 45.2806 64.3479 53.3919
|
| 17 |
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S 45.2883 64.4057 53.4319
|
| 18 |
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S 45.2860 64.4551 53.4234
|
| 19 |
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S 45.2951 64.4625 53.4562
|
| 20 |
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S 45.4300 64.3923 53.5607
|
| 21 |
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S 45.4917 64.3571 53.6118
|
| 22 |
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S 45.5133 64.2295 53.5914
|
| 23 |
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S 45.4871 64.1841 53.6322
|
| 24 |
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S 45.4692 64.1845 53.6494
|
| 25 |
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S 45.4698 64.1763 53.7411
|
| 26 |
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S 45.4909 64.2498 53.7635
|
| 27 |
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S 45.4738 64.2850 53.7124
|
| 28 |
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S 45.4148 64.2798 53.6513
|
| 29 |
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S 45.3686 64.3430 53.6031
|
| 30 |
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S 45.4619 64.5330 53.5838
|
| 31 |
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S 45.4349 64.6117 53.4946
|
| 32 |
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S 45.3414 64.7098 53.4623
|
| 33 |
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S 45.2950 64.6824 53.4616
|
| 34 |
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S 45.2403 64.6325 53.3956
|
| 35 |
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S 45.1799 64.5627 53.3839
|
| 36 |
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S 45.0731 64.4731 53.3737
|
| 37 |
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S 45.1510 64.5133 53.4799
|
| 38 |
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S 45.2878 64.5765 53.4812
|
| 39 |
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S 45.3166 64.5312 53.4754
|
| 40 |
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S 45.2592 64.4829 53.4967
|
| 41 |
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S 45.2997 64.5781 53.4417
|
| 42 |
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S 45.4685 64.6427 53.4073
|
| 43 |
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S 45.7501 64.6683 53.3949
|
| 44 |
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S 45.8910 64.5873 53.3282
|
| 45 |
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S 46.0019 64.5445 53.2668
|
| 46 |
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S 46.3113 64.4528 53.2176
|
| 47 |
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S 46.6941 64.3038 53.0212
|
| 48 |
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S 47.0350 64.2432 52.7825
|
| 49 |
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S 47.1937 64.2665 52.6932
|
| 50 |
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S 47.2299 64.2424 52.6630
|
| 51 |
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S 47.2841 64.1959 52.6212
|
| 52 |
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S 47.3199 64.1069 52.5665
|
| 53 |
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S 47.2669 64.0916 52.5066
|
| 54 |
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S 47.2342 64.1763 52.4094
|
| 55 |
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S 47.1554 64.1813 52.3754
|
| 56 |
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S 47.0786 64.1749 52.4291
|
| 57 |
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S 47.0820 64.2474 52.4680
|
| 58 |
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S 47.0603 64.2621 52.4807
|
| 59 |
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S 46.8611 64.2792 52.4497
|
| 60 |
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S 46.6814 64.2441 52.4144
|
| 61 |
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S 46.5799 64.3263 52.3048
|
| 62 |
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S 46.6407 64.4415 52.0511
|
| 63 |
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S 46.6243 64.5189 51.8456
|
| 64 |
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S 46.5304 64.5580 51.7183
|
| 65 |
+
S 46.3606 64.5341 51.5980
|
| 66 |
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S 46.1134 64.5727 51.4576
|
| 67 |
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S 45.8381 64.7075 51.4256
|
| 68 |
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S 45.6014 64.8519 51.4183
|
| 69 |
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S 45.4268 64.9844 51.5723
|
| 70 |
+
S 45.2736 65.1626 51.8309
|
| 71 |
+
S 45.1493 65.3370 52.0148
|
| 72 |
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S 45.0225 65.6077 52.1277
|
| 73 |
+
S 44.9876 65.8327 52.1215
|
| 74 |
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S 44.9362 65.8686 52.0705
|
| 75 |
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S 44.9027 65.8987 52.2220
|
| 76 |
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S 44.8809 65.8627 52.4008
|
| 77 |
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S 44.9905 65.8482 52.4197
|
| 78 |
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S 45.1828 65.8810 52.3885
|
| 79 |
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S 45.3404 65.8556 52.4297
|
| 80 |
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S 45.4590 65.8231 52.4743
|
| 81 |
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S 45.6052 65.8469 52.5935
|
| 82 |
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S 45.6348 65.8531 52.6870
|
| 83 |
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S 45.6760 65.9139 52.6678
|
| 84 |
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S 45.6030 66.0107 52.6067
|
| 85 |
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S 45.6382 66.1484 52.5485
|
| 86 |
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S 45.6386 66.3145 52.5488
|
| 87 |
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S 45.5339 66.4462 52.5462
|
| 88 |
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S 45.4837 66.5300 52.5059
|
| 89 |
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S 45.4736 66.5049 52.4734
|
| 90 |
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S 45.5064 66.5200 52.3469
|
| 91 |
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S 45.5254 66.5549 52.1461
|
| 92 |
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S 45.4591 66.5458 51.9671
|
| 93 |
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S 45.4217 66.5389 51.8402
|
| 94 |
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S 45.4179 66.4699 51.6458
|
| 95 |
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S 45.4352 66.5004 51.4837
|
| 96 |
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S 45.4210 66.5762 51.5295
|
| 97 |
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S 45.4561 66.5799 51.5239
|
| 98 |
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S 45.6416 66.5977 51.5510
|
| 99 |
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S 45.9160 66.6674 51.4964
|
| 100 |
+
S 46.1247 66.7237 51.4274
|
5j6m_ligand_native_589/MCpath38.xyz
ADDED
|
@@ -0,0 +1,89 @@
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|
| 1 |
+
87
|
| 2 |
+
87
|
| 3 |
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S 45.3350 64.0831 53.8015
|
| 4 |
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S 45.3669 64.0422 53.7185
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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S 45.2804 64.2991 53.8777
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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S 45.2284 64.5050 54.2846
|
| 16 |
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S 45.2212 64.5412 54.3373
|
| 17 |
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S 45.2205 64.5305 54.4248
|
| 18 |
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S 45.2807 64.4456 54.4669
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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S 45.7303 64.4359 54.2182
|
| 26 |
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|
| 27 |
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S 45.6797 64.1337 54.3114
|
| 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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S 47.3585 64.5655 54.1383
|
| 63 |
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S 47.6735 64.6502 53.7948
|
| 64 |
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S 47.8299 64.9109 53.4383
|
| 65 |
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S 47.9963 65.1933 53.1135
|
| 66 |
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S 48.0524 65.2645 52.8201
|
| 67 |
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S 48.0308 65.2597 52.6408
|
| 68 |
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S 47.9223 65.3750 52.5677
|
| 69 |
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S 47.8568 65.4422 52.5889
|
| 70 |
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S 47.7426 65.4743 52.6218
|
| 71 |
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S 47.5740 65.5889 52.4858
|
| 72 |
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S 47.5106 65.6716 52.4391
|
| 73 |
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S 47.5044 65.7217 52.5020
|
| 74 |
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S 47.3979 65.7932 52.5393
|
| 75 |
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S 47.3458 65.7167 52.4937
|
| 76 |
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S 47.2608 65.6362 52.5124
|
| 77 |
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S 47.2256 65.4806 52.6073
|
| 78 |
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S 47.1934 65.3091 52.6449
|
| 79 |
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S 47.1782 65.2577 52.7313
|
| 80 |
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S 47.2146 65.2595 52.8987
|
| 81 |
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S 47.1658 65.2551 52.9859
|
| 82 |
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S 47.1821 65.2720 53.0623
|
| 83 |
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S 47.2028 65.3267 53.1101
|
| 84 |
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S 47.2537 65.3302 53.2264
|
| 85 |
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S 47.3392 65.3981 53.3286
|
| 86 |
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S 47.3984 65.4921 53.3716
|
| 87 |
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S 47.4432 65.5347 53.3426
|
| 88 |
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S 47.5216 65.6718 53.4412
|
| 89 |
+
S 47.6124 65.8177 53.4737
|
5j6m_ligand_native_589/MCpath39.xyz
ADDED
|
@@ -0,0 +1,53 @@
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| 1 |
+
51
|
| 2 |
+
51
|
| 3 |
+
S 45.3861 64.1896 53.2512
|
| 4 |
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S 45.3667 64.1677 53.1407
|
| 5 |
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S 45.3337 64.2332 53.2119
|
| 6 |
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S 45.2062 64.2635 53.3397
|
| 7 |
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S 45.0668 64.2600 53.4750
|
| 8 |
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S 45.0655 64.2708 53.5938
|
| 9 |
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S 45.1891 64.3108 53.6692
|
| 10 |
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S 45.3951 64.3021 53.7211
|
| 11 |
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S 45.4514 64.3337 53.7289
|
| 12 |
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S 45.5064 64.3270 53.6729
|
| 13 |
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S 45.5145 64.2478 53.5777
|
| 14 |
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S 45.5090 64.2016 53.4544
|
| 15 |
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S 45.4410 64.1740 53.3862
|
| 16 |
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S 45.3456 64.1594 53.3816
|
| 17 |
+
S 45.3829 64.2484 53.4435
|
| 18 |
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S 45.4004 64.3408 53.4492
|
| 19 |
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S 45.4208 64.4032 53.4992
|
| 20 |
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S 45.4547 64.4208 53.4166
|
| 21 |
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S 45.4048 64.3306 53.2369
|
| 22 |
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S 45.4048 64.3002 53.1736
|
| 23 |
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S 45.4131 64.3608 53.1399
|
| 24 |
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S 45.3917 64.3654 53.1076
|
| 25 |
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S 45.3864 64.3799 53.0964
|
| 26 |
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S 45.3707 64.4554 53.1298
|
| 27 |
+
S 45.4097 64.4877 53.0926
|
| 28 |
+
S 45.4770 64.6118 53.1643
|
| 29 |
+
S 45.6197 64.6725 53.1962
|
| 30 |
+
S 45.6714 64.7842 53.2358
|
| 31 |
+
S 45.7183 65.0415 53.2545
|
| 32 |
+
S 45.6771 65.2832 53.2550
|
| 33 |
+
S 45.7173 65.4210 53.1990
|
| 34 |
+
S 45.6398 65.4375 53.1159
|
| 35 |
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S 45.5635 65.4595 53.0437
|
| 36 |
+
S 45.6035 65.4610 52.9832
|
| 37 |
+
S 45.6339 65.3568 52.9362
|
| 38 |
+
S 45.5564 65.3080 52.8068
|
| 39 |
+
S 45.4911 65.2195 52.5667
|
| 40 |
+
S 45.4361 65.2070 52.3079
|
| 41 |
+
S 45.5045 65.2781 52.2529
|
| 42 |
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S 45.5352 65.3590 52.1160
|
| 43 |
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S 45.4539 65.5869 51.9281
|
| 44 |
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S 45.4369 65.7894 51.7873
|
| 45 |
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S 45.4617 65.9039 51.8757
|
| 46 |
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S 45.3779 66.0012 52.1001
|
| 47 |
+
S 45.2436 66.0867 52.3019
|
| 48 |
+
S 45.2390 66.2252 52.3664
|
| 49 |
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S 45.2845 66.2709 52.3316
|
| 50 |
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S 45.2659 66.2690 52.2754
|
| 51 |
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S 45.2778 66.3543 52.3593
|
| 52 |
+
S 45.3519 66.5697 52.3866
|
| 53 |
+
S 45.4489 66.7252 52.4419
|
5j6m_ligand_native_589/MCpath4.xyz
ADDED
|
@@ -0,0 +1,60 @@
|
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|
| 1 |
+
58
|
| 2 |
+
58
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| 3 |
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| 4 |
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| 6 |
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| 8 |
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|
| 9 |
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| 10 |
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|
| 11 |
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| 12 |
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| 13 |
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|
| 14 |
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|
| 15 |
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S 45.1847 64.2715 53.7995
|
| 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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S 45.3869 64.6162 53.2460
|
| 25 |
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S 45.4395 64.7698 53.1331
|
| 26 |
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S 45.4939 64.8912 53.0449
|
| 27 |
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S 45.5669 65.0445 53.0738
|
| 28 |
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S 45.7034 65.1523 53.0420
|
| 29 |
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S 45.7143 65.2049 53.0476
|
| 30 |
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S 45.7401 65.2988 53.0502
|
| 31 |
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S 45.7361 65.2878 52.9119
|
| 32 |
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S 45.7712 65.1857 52.6932
|
| 33 |
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S 45.9014 65.1560 52.5828
|
| 34 |
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S 45.9199 65.2378 52.5408
|
| 35 |
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S 45.9094 65.3243 52.4743
|
| 36 |
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S 45.8172 65.3408 52.3862
|
| 37 |
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S 45.7008 65.3941 52.3121
|
| 38 |
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S 45.6006 65.4102 52.3131
|
| 39 |
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S 45.5931 65.5275 52.4065
|
| 40 |
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S 45.5663 65.5754 52.4222
|
| 41 |
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S 45.6764 65.5361 52.3625
|
| 42 |
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S 45.7153 65.4651 52.3356
|
| 43 |
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S 45.6661 65.4659 52.2993
|
| 44 |
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S 45.5831 65.5594 52.2417
|
| 45 |
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S 45.5282 65.6527 52.2677
|
| 46 |
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S 45.4593 65.6392 52.3784
|
| 47 |
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S 45.4688 65.5406 52.3634
|
| 48 |
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S 45.4718 65.4609 52.2679
|
| 49 |
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S 45.4485 65.4085 52.2165
|
| 50 |
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S 45.3278 65.4063 52.2939
|
| 51 |
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S 45.2756 65.4134 52.3362
|
| 52 |
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S 45.2613 65.4187 52.3555
|
| 53 |
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S 45.2917 65.4530 52.3278
|
| 54 |
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S 45.3546 65.6133 52.3562
|
| 55 |
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S 45.4085 65.7620 52.3086
|
| 56 |
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S 45.4492 65.8723 52.3369
|
| 57 |
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S 45.4617 66.0271 52.4547
|
| 58 |
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S 45.4613 66.2936 52.6020
|
| 59 |
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S 45.4882 66.6346 52.7130
|
| 60 |
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|
5j6m_ligand_native_589/MCpath40.xyz
ADDED
|
@@ -0,0 +1,95 @@
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|
| 1 |
+
93
|
| 2 |
+
93
|
| 3 |
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S 45.3796 64.0977 53.5816
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| 4 |
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S 45.3195 64.0698 53.4311
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| 5 |
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S 45.2965 64.0874 53.3379
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| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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S 45.4725 64.1422 53.8632
|
| 15 |
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|
| 16 |
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|
| 17 |
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S 45.3188 64.2914 53.9245
|
| 18 |
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S 45.2495 64.3090 53.7381
|
| 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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| 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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| 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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| 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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S 45.5125 66.4945 51.4750
|
| 61 |
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S 45.4148 66.5502 51.5232
|
| 62 |
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S 45.2997 66.4952 51.4998
|
| 63 |
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S 45.1341 66.5073 51.5409
|
| 64 |
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S 44.9567 66.4265 51.5108
|
| 65 |
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S 44.7730 66.4214 51.6059
|
| 66 |
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S 44.6472 66.4581 51.7287
|
| 67 |
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S 44.5679 66.3099 51.8483
|
| 68 |
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S 44.4587 66.2016 51.8715
|
| 69 |
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S 44.3695 66.1321 51.8757
|
| 70 |
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S 44.3458 66.1707 51.7819
|
| 71 |
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S 44.3535 66.1988 51.7606
|
| 72 |
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S 44.4366 66.1798 51.8381
|
| 73 |
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S 44.5162 66.2206 51.8669
|
| 74 |
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S 44.5135 66.1352 51.7570
|
| 75 |
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S 44.5136 66.1759 51.7069
|
| 76 |
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S 44.6070 66.3654 51.6832
|
| 77 |
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S 44.7449 66.5607 51.6697
|
| 78 |
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S 44.8720 66.7093 51.5796
|
| 79 |
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S 44.9115 66.8704 51.4191
|
| 80 |
+
S 44.8468 67.1187 51.2859
|
| 81 |
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S 44.7880 67.3420 51.3125
|
| 82 |
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S 44.6070 67.5615 51.2894
|
| 83 |
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S 44.4887 67.8685 51.3368
|
| 84 |
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S 44.5304 68.1557 51.5088
|
| 85 |
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|
| 86 |
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S 44.7619 68.0580 51.5003
|
| 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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|
5j6m_ligand_native_589/MCpath41.xyz
ADDED
|
@@ -0,0 +1,58 @@
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|
| 1 |
+
56
|
| 2 |
+
56
|
| 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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S 45.5598 64.0558 53.5482
|
| 16 |
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S 45.3034 64.1330 53.5880
|
| 17 |
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S 45.1633 64.1248 53.5692
|
| 18 |
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S 45.1846 64.0370 53.5490
|
| 19 |
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S 45.2847 63.9335 53.5695
|
| 20 |
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S 45.2873 63.8899 53.5639
|
| 21 |
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S 45.2676 63.9455 53.5686
|
| 22 |
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S 45.3073 64.0760 53.6204
|
| 23 |
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S 45.2905 64.2276 53.6958
|
| 24 |
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S 45.3360 64.3142 53.7102
|
| 25 |
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S 45.3884 64.3594 53.6876
|
| 26 |
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S 45.4568 64.4690 53.6920
|
| 27 |
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S 45.4305 64.5418 53.6802
|
| 28 |
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S 45.3391 64.6488 53.6173
|
| 29 |
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S 45.2323 64.7831 53.6082
|
| 30 |
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S 45.1337 64.9501 53.5318
|
| 31 |
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S 45.1217 65.0349 53.4384
|
| 32 |
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S 45.2860 65.0728 53.3492
|
| 33 |
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S 45.3626 65.1857 53.3717
|
| 34 |
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S 45.3606 65.3485 53.3801
|
| 35 |
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S 45.3678 65.4860 53.2616
|
| 36 |
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S 45.2886 65.5744 53.1758
|
| 37 |
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S 45.2883 65.6499 53.1164
|
| 38 |
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S 45.3008 65.5451 52.9846
|
| 39 |
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S 45.2511 65.4477 52.8598
|
| 40 |
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S 45.2949 65.4313 52.6290
|
| 41 |
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S 45.3830 65.3627 52.4771
|
| 42 |
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S 45.4362 65.3809 52.3138
|
| 43 |
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S 45.4846 65.4683 52.1983
|
| 44 |
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S 45.4776 65.5665 52.1918
|
| 45 |
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S 45.6080 65.6131 52.1385
|
| 46 |
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S 45.7204 65.6192 52.0606
|
| 47 |
+
S 45.7678 65.6922 51.9939
|
| 48 |
+
S 45.6913 65.7834 51.9315
|
| 49 |
+
S 45.5661 65.8683 51.8901
|
| 50 |
+
S 45.5412 65.9411 51.9898
|
| 51 |
+
S 45.4807 65.9023 52.1535
|
| 52 |
+
S 45.4951 65.9478 52.3259
|
| 53 |
+
S 45.6205 65.9982 52.4454
|
| 54 |
+
S 45.7095 66.0785 52.5767
|
| 55 |
+
S 45.7283 66.1131 52.6814
|
| 56 |
+
S 45.7265 66.3602 52.7229
|
| 57 |
+
S 45.6833 66.5667 52.5964
|
| 58 |
+
S 45.6199 66.7547 52.4585
|
5j6m_ligand_native_589/MCpath42.xyz
ADDED
|
@@ -0,0 +1,56 @@
|
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|
| 1 |
+
54
|
| 2 |
+
54
|
| 3 |
+
S 45.3646 64.0965 53.3328
|
| 4 |
+
S 45.3352 64.1126 53.3177
|
| 5 |
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S 45.2841 64.1733 53.3172
|
| 6 |
+
S 45.2555 64.2963 53.2953
|
| 7 |
+
S 45.1928 64.3614 53.3130
|
| 8 |
+
S 45.1683 64.3342 53.3395
|
| 9 |
+
S 45.1366 64.3208 53.4817
|
| 10 |
+
S 45.1320 64.2978 53.6085
|
| 11 |
+
S 45.0968 64.2372 53.7364
|
| 12 |
+
S 45.1211 64.1740 53.8186
|
| 13 |
+
S 45.1905 64.1597 53.7766
|
| 14 |
+
S 45.3051 64.0687 53.7581
|
| 15 |
+
S 45.3386 64.0613 53.8057
|
| 16 |
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S 45.3733 64.1180 53.7924
|
| 17 |
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S 45.4421 64.1694 53.7162
|
| 18 |
+
S 45.4802 64.2015 53.6815
|
| 19 |
+
S 45.4523 64.2197 53.5982
|
| 20 |
+
S 45.4433 64.2687 53.4353
|
| 21 |
+
S 45.5042 64.3235 53.3945
|
| 22 |
+
S 45.5402 64.3716 53.3516
|
| 23 |
+
S 45.6289 64.3860 53.2751
|
| 24 |
+
S 45.7316 64.4840 53.2140
|
| 25 |
+
S 45.7903 64.5898 53.2061
|
| 26 |
+
S 45.8644 64.6034 53.1812
|
| 27 |
+
S 45.9106 64.6691 53.1651
|
| 28 |
+
S 45.8819 64.7753 53.1960
|
| 29 |
+
S 45.8323 64.8769 53.2141
|
| 30 |
+
S 45.8078 64.9388 53.1572
|
| 31 |
+
S 45.6963 65.0477 53.0206
|
| 32 |
+
S 45.5191 65.2179 53.0295
|
| 33 |
+
S 45.5333 65.2711 53.1228
|
| 34 |
+
S 45.5614 65.2757 53.1687
|
| 35 |
+
S 45.5993 65.2716 53.2108
|
| 36 |
+
S 45.6607 65.3077 53.2903
|
| 37 |
+
S 45.6923 65.4648 53.2986
|
| 38 |
+
S 45.7544 65.6299 53.2870
|
| 39 |
+
S 45.7974 65.7667 53.2885
|
| 40 |
+
S 45.7695 65.8319 53.3129
|
| 41 |
+
S 45.7725 65.8181 53.2863
|
| 42 |
+
S 45.8348 65.6972 53.1036
|
| 43 |
+
S 45.7432 65.7069 53.0749
|
| 44 |
+
S 45.6502 65.7672 53.1180
|
| 45 |
+
S 45.5149 65.6935 53.2412
|
| 46 |
+
S 45.3528 65.6488 53.3038
|
| 47 |
+
S 45.3460 65.6994 53.3762
|
| 48 |
+
S 45.3243 65.8064 53.4519
|
| 49 |
+
S 45.3153 65.9980 53.4386
|
| 50 |
+
S 45.3074 66.1848 53.4268
|
| 51 |
+
S 45.2745 66.2763 53.4552
|
| 52 |
+
S 45.2293 66.3520 53.4616
|
| 53 |
+
S 45.1918 66.5031 53.4830
|
| 54 |
+
S 45.2212 66.5925 53.5206
|
| 55 |
+
S 45.2841 66.6545 53.6009
|
| 56 |
+
S 45.2937 66.7557 53.5653
|
5j6m_ligand_native_589/MCpath43.xyz
ADDED
|
@@ -0,0 +1,61 @@
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|
| 1 |
+
59
|
| 2 |
+
59
|
| 3 |
+
S 45.4903 64.1007 53.3959
|
| 4 |
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S 45.4368 64.1541 53.3789
|
| 5 |
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S 45.2898 64.2088 53.3411
|
| 6 |
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S 45.2009 64.2349 53.3448
|
| 7 |
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S 45.1866 64.2733 53.4622
|
| 8 |
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S 45.1887 64.3668 53.5169
|
| 9 |
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S 45.0905 64.4168 53.5386
|
| 10 |
+
S 45.0896 64.2954 53.6207
|
| 11 |
+
S 45.2323 64.1994 53.7333
|
| 12 |
+
S 45.3708 64.2004 53.8316
|
| 13 |
+
S 45.5019 64.1845 53.8864
|
| 14 |
+
S 45.5773 64.1290 53.9099
|
| 15 |
+
S 45.5808 64.1083 53.8099
|
| 16 |
+
S 45.6124 64.1204 53.6746
|
| 17 |
+
S 45.5601 64.1387 53.4880
|
| 18 |
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S 45.5111 64.2271 53.2659
|
| 19 |
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S 45.4868 64.2792 53.1341
|
| 20 |
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S 45.6018 64.3233 53.0833
|
| 21 |
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S 45.8069 64.3507 53.0289
|
| 22 |
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S 45.8433 64.4140 52.8703
|
| 23 |
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S 45.8566 64.4557 52.7005
|
| 24 |
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S 45.7776 64.4790 52.5250
|
| 25 |
+
S 45.6717 64.4778 52.4304
|
| 26 |
+
S 45.5811 64.5202 52.4368
|
| 27 |
+
S 45.5567 64.5949 52.3646
|
| 28 |
+
S 45.5734 64.6864 52.2936
|
| 29 |
+
S 45.5477 64.6841 52.2752
|
| 30 |
+
S 45.5867 64.6646 52.3190
|
| 31 |
+
S 45.7139 64.7005 52.3131
|
| 32 |
+
S 45.8006 64.7309 52.2074
|
| 33 |
+
S 45.8578 64.8179 52.1732
|
| 34 |
+
S 45.8524 64.8813 52.2282
|
| 35 |
+
S 45.8082 64.9335 52.2988
|
| 36 |
+
S 45.7464 64.9901 52.4697
|
| 37 |
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S 45.6323 65.0960 52.6056
|
| 38 |
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S 45.5464 65.2387 52.6454
|
| 39 |
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S 45.5942 65.3630 52.5428
|
| 40 |
+
S 45.5390 65.4637 52.5020
|
| 41 |
+
S 45.5427 65.6249 52.5252
|
| 42 |
+
S 45.5315 65.7757 52.3750
|
| 43 |
+
S 45.5438 65.7975 52.1699
|
| 44 |
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S 45.5170 65.7617 52.1779
|
| 45 |
+
S 45.4911 65.7370 52.1863
|
| 46 |
+
S 45.4842 65.8360 52.2265
|
| 47 |
+
S 45.4341 65.9784 52.3797
|
| 48 |
+
S 45.4637 65.9531 52.4942
|
| 49 |
+
S 45.4636 65.9639 52.6113
|
| 50 |
+
S 45.4743 65.9487 52.6314
|
| 51 |
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S 45.4183 66.0202 52.7227
|
| 52 |
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S 45.3407 66.0693 52.8252
|
| 53 |
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S 45.3446 66.1755 52.8955
|
| 54 |
+
S 45.3346 66.2931 52.8393
|
| 55 |
+
S 45.3226 66.3772 52.8006
|
| 56 |
+
S 45.3281 66.4371 52.7382
|
| 57 |
+
S 45.2951 66.4585 52.6431
|
| 58 |
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S 45.3016 66.5891 52.6105
|
| 59 |
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S 45.4038 66.5950 52.4766
|
| 60 |
+
S 45.4623 66.6190 52.3577
|
| 61 |
+
S 45.4861 66.7404 52.3474
|
5j6m_ligand_native_589/MCpath44.xyz
ADDED
|
@@ -0,0 +1,62 @@
|
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|
| 1 |
+
60
|
| 2 |
+
60
|
| 3 |
+
S 45.2141 64.2197 53.4639
|
| 4 |
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S 45.1069 64.1362 53.4466
|
| 5 |
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S 45.1243 64.0122 53.4765
|
| 6 |
+
S 45.1689 63.9881 53.5112
|
| 7 |
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S 45.2601 64.1127 53.4514
|
| 8 |
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S 45.2832 64.2593 53.4548
|
| 9 |
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S 45.3149 64.4432 53.5647
|
| 10 |
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S 45.3081 64.4742 53.6797
|
| 11 |
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S 45.3641 64.4769 53.8504
|
| 12 |
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S 45.4795 64.4615 54.0341
|
| 13 |
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S 45.4914 64.3624 54.1502
|
| 14 |
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S 45.4858 64.1905 54.1500
|
| 15 |
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S 45.5266 64.1564 54.2064
|
| 16 |
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S 45.5577 64.1521 54.2283
|
| 17 |
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S 45.5656 64.1176 54.1753
|
| 18 |
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S 45.5293 64.0530 54.2211
|
| 19 |
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S 45.5450 64.1275 54.2362
|
| 20 |
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S 45.5912 64.1976 54.3708
|
| 21 |
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S 45.6239 64.3106 54.4386
|
| 22 |
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S 45.5226 64.3745 54.4101
|
| 23 |
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S 45.4586 64.4275 54.3725
|
| 24 |
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S 45.4045 64.4110 54.3641
|
| 25 |
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S 45.4010 64.3231 54.2866
|
| 26 |
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S 45.4028 64.2734 54.2833
|
| 27 |
+
S 45.3955 64.2978 54.3741
|
| 28 |
+
S 45.3611 64.3854 54.4854
|
| 29 |
+
S 45.3749 64.3751 54.6368
|
| 30 |
+
S 45.4361 64.3845 54.6913
|
| 31 |
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S 45.4082 64.4348 54.6637
|
| 32 |
+
S 45.4293 64.5376 54.5997
|
| 33 |
+
S 45.4615 64.6081 54.4821
|
| 34 |
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S 45.4777 64.6451 54.3898
|
| 35 |
+
S 45.4636 64.7009 54.3615
|
| 36 |
+
S 45.3604 64.7871 54.3584
|
| 37 |
+
S 45.3483 64.8935 54.3723
|
| 38 |
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S 45.3587 64.9742 54.3069
|
| 39 |
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S 45.2869 65.0491 54.2515
|
| 40 |
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S 45.2965 65.1003 54.2297
|
| 41 |
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S 45.3551 65.1631 54.2626
|
| 42 |
+
S 45.3093 65.3189 54.2497
|
| 43 |
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S 45.2493 65.3732 54.1919
|
| 44 |
+
S 45.2347 65.4628 54.0740
|
| 45 |
+
S 45.1836 65.6763 54.0737
|
| 46 |
+
S 45.1780 65.8450 54.0785
|
| 47 |
+
S 45.2786 65.8872 54.0880
|
| 48 |
+
S 45.3075 65.9954 54.1043
|
| 49 |
+
S 45.3463 66.0608 54.0403
|
| 50 |
+
S 45.4698 66.1542 54.0127
|
| 51 |
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S 45.5255 66.1651 54.0033
|
| 52 |
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S 45.5925 66.2190 54.0107
|
| 53 |
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S 45.5446 66.2992 54.0654
|
| 54 |
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S 45.5130 66.3232 54.1040
|
| 55 |
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S 45.5319 66.3477 54.0943
|
| 56 |
+
S 45.5522 66.3759 54.0787
|
| 57 |
+
S 45.4832 66.4407 54.0352
|
| 58 |
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S 45.3757 66.5052 53.9993
|
| 59 |
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S 45.3829 66.4998 53.8393
|
| 60 |
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S 45.4813 66.5076 53.6354
|
| 61 |
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S 45.4543 66.6523 53.3390
|
| 62 |
+
S 45.5182 66.8646 53.1224
|
5j6m_ligand_native_589/MCpath45.xyz
ADDED
|
@@ -0,0 +1,67 @@
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|
|
|
|
|
| 1 |
+
65
|
| 2 |
+
65
|
| 3 |
+
S 45.5097 64.0976 53.4388
|
| 4 |
+
S 45.4162 64.1575 53.4093
|
| 5 |
+
S 45.3292 64.2273 53.4224
|
| 6 |
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S 45.2781 64.2447 53.4321
|
| 7 |
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S 45.3376 64.2628 53.5302
|
| 8 |
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S 45.3856 64.2384 53.5582
|
| 9 |
+
S 45.3468 64.2437 53.5362
|
| 10 |
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S 45.3080 64.2549 53.5455
|
| 11 |
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S 45.3065 64.1857 53.6347
|
| 12 |
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S 45.3919 64.2251 53.7013
|
| 13 |
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S 45.4505 64.2881 53.7178
|
| 14 |
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S 45.4223 64.2967 53.6861
|
| 15 |
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S 45.4045 64.3622 53.6570
|
| 16 |
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S 45.4894 64.4766 53.6064
|
| 17 |
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S 45.5392 64.5123 53.5400
|
| 18 |
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S 45.4899 64.5840 53.5505
|
| 19 |
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S 45.5215 64.6308 53.6166
|
| 20 |
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S 45.5405 64.6321 53.7509
|
| 21 |
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S 45.5607 64.5299 53.7722
|
| 22 |
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S 45.5773 64.3351 53.7184
|
| 23 |
+
S 45.6427 64.2075 53.6820
|
| 24 |
+
S 45.5574 64.1421 53.7338
|
| 25 |
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S 45.5323 64.2451 53.7148
|
| 26 |
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S 45.4799 64.3030 53.7009
|
| 27 |
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S 45.4848 64.2191 53.6524
|
| 28 |
+
S 45.5118 64.2252 53.5867
|
| 29 |
+
S 45.5285 64.3609 53.5302
|
| 30 |
+
S 45.5420 64.4649 53.3870
|
| 31 |
+
S 45.5341 64.4561 53.2803
|
| 32 |
+
S 45.5482 64.5095 53.2559
|
| 33 |
+
S 45.5751 64.5297 53.2627
|
| 34 |
+
S 45.5852 64.5034 53.2636
|
| 35 |
+
S 45.6443 64.5419 53.1878
|
| 36 |
+
S 45.6149 64.5197 53.1135
|
| 37 |
+
S 45.6049 64.6057 53.1261
|
| 38 |
+
S 45.7186 64.6398 53.1890
|
| 39 |
+
S 45.7714 64.6502 53.1671
|
| 40 |
+
S 45.7393 64.6677 53.2151
|
| 41 |
+
S 45.6091 64.7164 53.3254
|
| 42 |
+
S 45.5123 64.7376 53.3782
|
| 43 |
+
S 45.4156 64.8532 53.4026
|
| 44 |
+
S 45.3457 65.1866 53.4753
|
| 45 |
+
S 45.4364 65.4563 53.4739
|
| 46 |
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S 45.6317 65.6921 53.4280
|
| 47 |
+
S 45.6735 65.9512 53.3793
|
| 48 |
+
S 45.5007 66.1004 53.2917
|
| 49 |
+
S 45.4013 66.1382 53.1755
|
| 50 |
+
S 45.4715 66.1903 53.0717
|
| 51 |
+
S 45.5924 66.2180 53.1197
|
| 52 |
+
S 45.5579 66.1812 53.1781
|
| 53 |
+
S 45.6183 66.1333 53.2608
|
| 54 |
+
S 45.6870 66.1031 53.3888
|
| 55 |
+
S 45.6748 66.1624 53.5420
|
| 56 |
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S 45.5592 66.1397 53.6885
|
| 57 |
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S 45.5127 66.1303 53.6928
|
| 58 |
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S 45.4927 66.1217 53.6691
|
| 59 |
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S 45.4842 66.1532 53.6603
|
| 60 |
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S 45.5086 66.2999 53.6392
|
| 61 |
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S 45.5089 66.4230 53.5681
|
| 62 |
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S 45.4557 66.5709 53.4346
|
| 63 |
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S 45.3802 66.6623 53.3134
|
| 64 |
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S 45.3637 66.6539 53.3587
|
| 65 |
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S 45.2991 66.6146 53.5619
|
| 66 |
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S 45.2950 66.6598 53.6758
|
| 67 |
+
S 45.3211 66.7287 53.7296
|
5j6m_ligand_native_589/MCpath46.xyz
ADDED
|
@@ -0,0 +1,64 @@
|
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|
| 1 |
+
62
|
| 2 |
+
62
|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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|
| 15 |
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S 45.3984 64.0972 53.8946
|
| 16 |
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|
| 17 |
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|
| 18 |
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S 45.4413 64.2673 53.7060
|
| 19 |
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S 45.5332 64.3451 53.5689
|
| 20 |
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S 45.5687 64.4049 53.5412
|
| 21 |
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S 45.5682 64.4123 53.4481
|
| 22 |
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S 45.5421 64.4691 53.3457
|
| 23 |
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|
| 24 |
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S 45.4834 64.6370 53.1740
|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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S 45.2402 65.0082 53.2077
|
| 30 |
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S 45.2897 65.0679 53.2167
|
| 31 |
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S 45.3558 65.1391 53.3233
|
| 32 |
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S 45.3468 65.2208 53.4199
|
| 33 |
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S 45.3698 65.2852 53.5554
|
| 34 |
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S 45.3749 65.3393 53.6570
|
| 35 |
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S 45.3789 65.5259 53.7755
|
| 36 |
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S 45.4626 65.7045 53.8153
|
| 37 |
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S 45.5797 65.7362 53.7355
|
| 38 |
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S 45.6535 65.7617 53.6075
|
| 39 |
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S 45.6887 65.7893 53.5260
|
| 40 |
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S 45.6862 65.8053 53.5099
|
| 41 |
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S 45.6256 65.7597 53.4905
|
| 42 |
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S 45.6078 65.7246 53.4593
|
| 43 |
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S 45.7100 65.6531 53.3530
|
| 44 |
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S 45.7762 65.7266 53.2140
|
| 45 |
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S 45.8196 65.9129 53.1057
|
| 46 |
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S 45.7695 65.9942 53.0644
|
| 47 |
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S 45.7803 65.9900 52.9696
|
| 48 |
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S 45.8118 65.9503 52.8876
|
| 49 |
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S 45.8389 65.9353 52.8807
|
| 50 |
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S 45.7792 65.9574 52.8357
|
| 51 |
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S 45.7292 65.9010 52.6990
|
| 52 |
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S 45.6994 65.8424 52.6561
|
| 53 |
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S 45.6410 65.8533 52.5497
|
| 54 |
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S 45.6410 65.9927 52.4081
|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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S 45.5207 66.3468 52.3759
|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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S 45.9583 66.6363 52.3105
|
| 64 |
+
S 46.1265 66.6992 52.3062
|
5j6m_ligand_native_589/MCpath47.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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|
| 27 |
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|
| 28 |
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|
| 29 |
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S 45.1387 64.5136 53.6353
|
| 30 |
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S 45.1906 64.5801 53.7301
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| 31 |
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| 32 |
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| 33 |
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| 35 |
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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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| 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 45.3238 64.6277 53.2989
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| 58 |
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S 45.3175 64.6382 53.4561
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| 59 |
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S 45.2934 64.5648 53.5722
|
| 60 |
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S 45.3835 64.4703 53.5840
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| 61 |
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| 62 |
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|
| 63 |
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S 45.5142 64.4702 53.4181
|
| 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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S 45.5073 64.3835 53.2852
|
| 69 |
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S 45.4295 64.3321 53.2504
|
| 70 |
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S 45.3746 64.4361 53.2439
|
| 71 |
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S 45.4020 64.5748 53.3299
|
| 72 |
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S 45.3594 64.6189 53.3894
|
| 73 |
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S 45.3843 64.6597 53.5269
|
| 74 |
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S 45.3727 64.6547 53.6400
|
| 75 |
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| 76 |
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S 45.5738 64.4767 53.7884
|
| 77 |
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S 45.6466 64.3631 53.7556
|
| 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 45.2384 64.5977 53.3544
|
| 83 |
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| 84 |
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| 85 |
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|
| 86 |
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|
| 87 |
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S 45.3877 64.3892 53.1073
|
| 88 |
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S 45.4782 64.3489 53.1585
|
| 89 |
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S 45.5477 64.3389 53.2511
|
| 90 |
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S 45.5409 64.3465 53.3879
|
| 91 |
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S 45.5316 64.3112 53.4724
|
| 92 |
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|
| 93 |
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S 45.4436 64.2976 53.5034
|
| 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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S 45.2868 64.7453 53.7316
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| 102 |
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| 103 |
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| 104 |
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|
| 105 |
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|
5j6m_ligand_native_589/MCpath48.xyz
ADDED
|
@@ -0,0 +1,119 @@
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| 1 |
+
117
|
| 2 |
+
117
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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S 45.3687 64.0000 53.6181
|
| 11 |
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S 45.3514 64.0366 53.6196
|
| 12 |
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| 13 |
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| 14 |
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| 20 |
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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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| 86 |
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| 88 |
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| 89 |
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| 90 |
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S 45.4532 65.9826 51.7975
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| 91 |
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| 92 |
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S 45.5787 65.9922 51.6910
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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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| 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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| 105 |
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| 106 |
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|
| 107 |
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| 108 |
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S 45.5732 67.7617 51.7794
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| 109 |
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S 45.5349 68.0026 51.6748
|
| 110 |
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S 45.4765 68.1883 51.6141
|
| 111 |
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| 112 |
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S 45.5385 68.3415 51.5948
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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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|
5j6m_ligand_native_589/MCpath49.xyz
ADDED
|
@@ -0,0 +1,95 @@
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| 1 |
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93
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93
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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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| 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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| 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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| 85 |
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| 86 |
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| 87 |
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| 88 |
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| 89 |
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| 90 |
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| 91 |
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| 92 |
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| 93 |
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| 94 |
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| 95 |
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|
5j6m_ligand_native_589/MCpath5.xyz
ADDED
|
@@ -0,0 +1,112 @@
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| 1 |
+
110
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| 2 |
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110
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| 4 |
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| 8 |
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| 9 |
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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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| 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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|
| 37 |
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|
| 38 |
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|
| 39 |
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S 45.3633 64.5517 53.6287
|
| 40 |
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S 45.4082 64.6270 53.4830
|
| 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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| 48 |
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| 49 |
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| 50 |
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| 53 |
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| 55 |
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| 56 |
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| 57 |
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| 64 |
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| 65 |
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| 68 |
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| 70 |
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| 71 |
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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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S 45.2423 65.3780 54.9947
|
| 84 |
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S 45.3765 65.4364 55.0563
|
| 85 |
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S 45.4887 65.4067 55.1860
|
| 86 |
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S 45.5679 65.3476 55.3574
|
| 87 |
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S 45.6747 65.3711 55.4100
|
| 88 |
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S 45.6689 65.3713 55.3932
|
| 89 |
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S 45.5531 65.3474 55.4085
|
| 90 |
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S 45.3675 65.3590 55.5546
|
| 91 |
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S 45.2952 65.5089 55.5900
|
| 92 |
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S 45.3050 65.5008 55.5327
|
| 93 |
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S 45.3810 65.4866 55.4960
|
| 94 |
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S 45.4580 65.4240 55.4745
|
| 95 |
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S 45.4377 65.4443 55.3480
|
| 96 |
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S 45.4832 65.4826 55.3638
|
| 97 |
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S 45.4660 65.4900 55.4120
|
| 98 |
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S 45.5117 65.5518 55.3702
|
| 99 |
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S 45.5853 65.6031 55.3487
|
| 100 |
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S 45.6569 65.7213 55.3577
|
| 101 |
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S 45.7763 65.9737 55.3357
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| 102 |
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| 103 |
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S 45.8883 66.4261 55.3274
|
| 104 |
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|
| 105 |
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S 45.9380 66.7333 55.2480
|
| 106 |
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S 46.0066 66.7614 55.2584
|
| 107 |
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S 46.0858 66.7549 55.2096
|
| 108 |
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S 46.0812 66.7053 55.1916
|
| 109 |
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|
| 110 |
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|
| 111 |
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S 46.6630 66.4492 55.0007
|
| 112 |
+
S 46.6940 66.5077 54.9528
|
5j6m_ligand_native_589/MCpath50.xyz
ADDED
|
@@ -0,0 +1,67 @@
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| 1 |
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65
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65
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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S 45.6288 64.6247 53.2183
|
| 32 |
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S 45.5353 64.5312 53.2349
|
| 33 |
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S 45.5147 64.4974 53.1524
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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S 45.4835 65.2294 53.1953
|
| 38 |
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S 45.5509 65.5469 53.2174
|
| 39 |
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S 45.7171 65.7150 53.2885
|
| 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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|
5j6m_ligand_native_589/MCpath6.xyz
ADDED
|
@@ -0,0 +1,83 @@
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| 1 |
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81
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| 2 |
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81
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| 4 |
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| 5 |
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| 7 |
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| 27 |
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| 28 |
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| 29 |
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| 37 |
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| 38 |
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| 39 |
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| 43 |
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| 44 |
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| 47 |
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|
| 48 |
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S 45.7545 64.2056 53.3710
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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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S 45.5072 65.5990 51.9883
|
| 64 |
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|
| 65 |
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S 45.6322 65.8943 51.9743
|
| 66 |
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S 45.6581 65.9749 52.0157
|
| 67 |
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S 45.6268 65.9715 52.0108
|
| 68 |
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S 45.5870 65.8867 52.1393
|
| 69 |
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S 45.4728 65.8488 52.3076
|
| 70 |
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S 45.5203 65.8871 52.4985
|
| 71 |
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S 45.5225 65.9077 52.5456
|
| 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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|
5j6m_ligand_native_589/MCpath7.xyz
ADDED
|
@@ -0,0 +1,58 @@
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| 1 |
+
56
|
| 2 |
+
56
|
| 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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S 45.3727 64.3811 53.4329
|
| 16 |
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S 45.4286 64.2901 53.5019
|
| 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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S 45.6463 64.5122 52.2937
|
| 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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S 45.4568 64.8899 52.3521
|
| 37 |
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|
| 38 |
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S 45.5241 65.2652 52.3764
|
| 39 |
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S 45.5637 65.3440 52.4355
|
| 40 |
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S 45.5118 65.4330 52.5229
|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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S 45.4172 65.7846 52.4709
|
| 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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S 45.4763 66.7727 52.0878
|
5j6m_ligand_native_589/MCpath8.xyz
ADDED
|
@@ -0,0 +1,110 @@
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|
| 1 |
+
108
|
| 2 |
+
108
|
| 3 |
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| 4 |
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| 5 |
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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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| 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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| 85 |
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| 86 |
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| 87 |
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| 88 |
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| 89 |
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| 90 |
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| 91 |
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| 92 |
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| 93 |
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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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| 103 |
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| 104 |
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| 105 |
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| 106 |
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| 108 |
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| 109 |
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| 110 |
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