Datasets:

SZBL-IDEA
/

MD

ArXiv:

bgalang commited on May 23, 2025

Commit

f375c30

verified ·

1 Parent(s): b2fd526

Upload folder using huggingface_hub

Browse files

This view is limited to 50 files because it contains too many changes. See raw diff

Files changed (50) hide show

.gitattributes +51 -0
4xe0_ligand_native_407/MCpath1.xyz +86 -0
4xe0_ligand_native_407/MCpath10.xyz +96 -0
4xe0_ligand_native_407/MCpath11.xyz +109 -0
4xe0_ligand_native_407/MCpath12.xyz +80 -0
4xe0_ligand_native_407/MCpath13.xyz +74 -0
4xe0_ligand_native_407/MCpath14.xyz +103 -0
4xe0_ligand_native_407/MCpath15.xyz +76 -0
4xe0_ligand_native_407/MCpath16.xyz +116 -0
4xe0_ligand_native_407/MCpath17.xyz +300 -0
4xe0_ligand_native_407/MCpath18.xyz +87 -0
4xe0_ligand_native_407/MCpath19.xyz +90 -0
4xe0_ligand_native_407/MCpath2.xyz +83 -0
4xe0_ligand_native_407/MCpath20.xyz +97 -0
4xe0_ligand_native_407/MCpath21.xyz +94 -0
4xe0_ligand_native_407/MCpath22.xyz +70 -0
4xe0_ligand_native_407/MCpath23.xyz +81 -0
4xe0_ligand_native_407/MCpath24.xyz +92 -0
4xe0_ligand_native_407/MCpath25.xyz +105 -0
4xe0_ligand_native_407/MCpath26.xyz +123 -0
4xe0_ligand_native_407/MCpath27.xyz +86 -0
4xe0_ligand_native_407/MCpath28.xyz +88 -0
4xe0_ligand_native_407/MCpath29.xyz +99 -0
4xe0_ligand_native_407/MCpath3.xyz +95 -0
4xe0_ligand_native_407/MCpath30.xyz +99 -0
4xe0_ligand_native_407/MCpath31.xyz +87 -0
4xe0_ligand_native_407/MCpath32.xyz +82 -0
4xe0_ligand_native_407/MCpath33.xyz +81 -0
4xe0_ligand_native_407/MCpath34.xyz +130 -0
4xe0_ligand_native_407/MCpath35.xyz +109 -0
4xe0_ligand_native_407/MCpath36.xyz +108 -0
4xe0_ligand_native_407/MCpath37.xyz +91 -0
4xe0_ligand_native_407/MCpath38.xyz +94 -0
4xe0_ligand_native_407/MCpath39.xyz +120 -0
4xe0_ligand_native_407/MCpath4.xyz +89 -0
4xe0_ligand_native_407/MCpath40.xyz +100 -0
4xe0_ligand_native_407/MCpath41.xyz +95 -0
4xe0_ligand_native_407/MCpath42.xyz +97 -0
4xe0_ligand_native_407/MCpath43.xyz +90 -0
4xe0_ligand_native_407/MCpath44.xyz +101 -0
4xe0_ligand_native_407/MCpath45.xyz +102 -0
4xe0_ligand_native_407/MCpath46.xyz +104 -0
4xe0_ligand_native_407/MCpath47.xyz +98 -0
4xe0_ligand_native_407/MCpath48.xyz +86 -0
4xe0_ligand_native_407/MCpath49.xyz +93 -0
4xe0_ligand_native_407/MCpath5.xyz +87 -0
4xe0_ligand_native_407/MCpath50.xyz +90 -0
4xe0_ligand_native_407/MCpath6.xyz +84 -0
4xe0_ligand_native_407/MCpath7.xyz +84 -0
4xe0_ligand_native_407/MCpath8.xyz +69 -0

.gitattributes CHANGED Viewed

@@ -5628,3 +5628,54 @@
 4f6w_ligand_native_230/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
 4f6w_ligand_native_230/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
 4f6w_ligand_native_230/system.pdb filter=lfs diff=lfs merge=lfs -text

 4f6w_ligand_native_230/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
 4f6w_ligand_native_230/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
 4f6w_ligand_native_230/system.pdb filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig1.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig10.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig11.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig12.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig13.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig14.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig15.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig16.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig17.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig18.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig19.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig2.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig20.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig21.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig22.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig23.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig24.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig25.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig26.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig27.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig28.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig29.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig3.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig30.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig31.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig32.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig33.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig34.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig35.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig36.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig37.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig38.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig39.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig4.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig40.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig41.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig42.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig43.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig44.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig45.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig47.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig50.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
+4xe0_ligand_native_407/system.pdb filter=lfs diff=lfs merge=lfs -text

4xe0_ligand_native_407/MCpath1.xyz ADDED Viewed

	@@ -0,0 +1,86 @@

+84
+84
+S   89.7467 57.8248 49.8123
+S   89.7923 57.9276 49.8807
+S   89.7522 57.9336 49.8221
+S   89.7252 57.9622 49.7270
+S   89.6989 58.0075 49.6938
+S   89.6680 57.9010 49.6408
+S   89.6117 57.7917 49.6395
+S   89.6289 57.7745 49.6885
+S   89.6575 57.7208 49.6593
+S   89.6253 57.7065 49.6578
+S   89.6323 57.6973 49.7844
+S   89.6948 57.7154 49.9804
+S   89.6819 57.7319 49.9682
+S   89.6956 57.7513 49.8161
+S   89.7382 57.7291 49.7487
+S   89.7316 57.6726 49.8184
+S   89.6802 57.6546 49.8552
+S   89.6216 57.7154 49.7993
+S   89.6237 57.7265 49.7024
+S   89.6138 57.7021 49.6871
+S   89.5512 57.6866 49.6020
+S   89.6301 57.7608 49.6413
+S   89.7489 57.9039 49.7230
+S   89.8905 57.9099 49.7128
+S   90.0776 57.8358 49.7080
+S   90.3300 57.7593 49.7805
+S   90.6411 57.7325 49.7734
+S   90.7146 57.6014 49.6870
+S   90.6874 57.4590 49.5810
+S   90.7777 57.4707 49.4965
+S   90.9177 57.5601 49.4924
+S   90.9145 57.5720 49.4330
+S   90.9683 57.5189 49.4631
+S   91.0027 57.5467 49.5369
+S   90.9753 57.4474 49.6353
+S   90.8922 57.3671 49.6101
+S   90.9820 57.4525 49.6880
+S   91.0697 57.5469 49.7343
+S   91.1518 57.5957 49.6289
+S   91.2480 57.6725 49.5579
+S   91.3857 57.7719 49.6377
+S   91.4969 57.6857 49.5869
+S   91.5163 57.5259 49.5133
+S   91.6392 57.5108 49.4937
+S   91.7192 57.5979 49.4272
+S   91.7382 57.6156 49.4248
+S   91.8094 57.5443 49.5705
+S   91.8347 57.4730 49.6500
+S   91.8478 57.4378 49.6538
+S   92.0536 57.4667 49.6715
+S   92.1459 57.3910 49.6895
+S   92.2941 57.2055 49.7726
+S   92.3788 57.1098 49.6800
+S   92.4475 57.2736 49.4556
+S   92.4902 57.4243 49.3031
+S   92.6185 57.4163 49.3815
+S   92.7008 57.3113 49.5806
+S   92.8118 57.1929 49.7022
+S   92.8709 57.1972 49.7180
+S   92.8375 57.1696 49.6703
+S   92.8577 57.1092 49.5903
+S   92.8410 57.0937 49.5017
+S   92.8389 57.2171 49.5218
+S   92.8374 57.3041 49.6776
+S   92.8947 57.4141 49.8554
+S   92.9734 57.5697 49.8920
+S   93.0407 57.6533 49.8243
+S   93.0876 57.7141 49.7462
+S   93.1280 57.7650 49.7018
+S   93.1997 57.8091 49.6980
+S   93.4006 57.8689 49.6792
+S   93.6446 57.8119 49.7054
+S   93.9321 57.7011 49.8026
+S   94.1497 57.5523 49.9239
+S   94.2631 57.3904 50.0433
+S   94.3239 57.1893 50.0807
+S   94.4229 57.0303 50.0499
+S   94.5148 56.9886 50.0225
+S   94.5132 57.0032 49.9353
+S   94.4784 56.9560 49.8684
+S   94.4791 56.8410 49.7912
+S   94.4960 56.6357 49.7346
+S   94.6221 56.4254 49.5564
+S   94.7596 56.2367 49.4543

4xe0_ligand_native_407/MCpath10.xyz ADDED Viewed

	@@ -0,0 +1,96 @@

+94
+94
+S   89.6914 58.0254 49.9644
+S   89.6382 58.1267 49.9761
+S   89.6714 58.2221 50.0074
+S   89.6835 58.1259 49.9660
+S   89.7407 58.0360 49.9340
+S   89.7917 58.0031 49.9240
+S   89.7795 57.9095 49.9723
+S   89.7487 57.8090 49.8858
+S   89.7874 57.8498 49.7607
+S   89.9077 57.9132 49.6969
+S   89.9810 57.9328 49.6878
+S   90.0524 57.9958 49.7267
+S   90.0401 58.0256 49.8328
+S   90.0297 58.0199 49.8743
+S   90.0661 57.9558 49.8504
+S   90.1980 57.8867 49.8054
+S   90.2326 57.7486 49.8614
+S   90.2022 57.6094 49.9146
+S   90.2151 57.5520 49.8210
+S   90.1913 57.5263 49.6707
+S   90.2560 57.6471 49.5807
+S   90.3355 57.7685 49.5259
+S   90.4229 57.7865 49.4896
+S   90.4285 57.7079 49.5054
+S   90.5138 57.6050 49.5334
+S   90.6200 57.6215 49.5452
+S   90.6486 57.6483 49.5858
+S   90.5715 57.6510 49.6351
+S   90.5390 57.6281 49.6250
+S   90.5658 57.5559 49.6092
+S   90.6515 57.4972 49.6980
+S   90.6731 57.4439 49.7608
+S   90.7136 57.5171 49.7927
+S   90.6561 57.5657 49.7505
+S   90.5241 57.4678 49.7687
+S   90.4425 57.4059 49.8496
+S   90.4686 57.3161 49.8545
+S   90.4202 57.2736 49.7843
+S   90.4299 57.2652 49.7579
+S   90.4852 57.2132 49.7026
+S   90.5802 57.1701 49.4881
+S   90.6946 57.1996 49.3811
+S   90.8838 57.2168 49.3747
+S   91.1434 57.2155 49.4529
+S   91.3445 57.2490 49.4758
+S   91.4547 57.2880 49.4616
+S   91.4480 57.3643 49.5350
+S   91.5369 57.4800 49.6080
+S   91.6765 57.5517 49.5583
+S   91.7172 57.6324 49.5327
+S   91.7244 57.6990 49.6132
+S   91.7047 57.6811 49.6296
+S   91.8090 57.5512 49.6023
+S   91.8660 57.5316 49.6219
+S   91.9095 57.6104 49.6567
+S   91.9668 57.5692 49.6373
+S   91.9913 57.4960 49.7363
+S   92.0144 57.4247 49.8745
+S   92.1079 57.4934 49.9912
+S   92.1836 57.5343 49.9113
+S   92.2023 57.5133 49.7988
+S   92.2030 57.3898 49.7376
+S   92.2273 57.2071 49.7540
+S   92.3528 57.1888 49.7024
+S   92.3694 57.2348 49.5377
+S   92.5007 57.2252 49.4446
+S   92.5757 57.2542 49.4414
+S   92.5981 57.2151 49.5065
+S   92.6560 57.3127 49.5048
+S   92.6612 57.4047 49.5010
+S   92.6674 57.5031 49.5737
+S   92.6166 57.5073 49.5800
+S   92.6324 57.5383 49.5476
+S   92.7748 57.7158 49.6567
+S   92.9367 57.8000 49.8418
+S   93.0404 57.7265 49.9410
+S   93.2008 57.7812 49.9986
+S   93.3384 57.7983 49.9604
+S   93.3658 57.6161 49.8990
+S   93.4432 57.4513 49.8033
+S   93.5228 57.2698 49.6859
+S   93.5679 57.1289 49.6143
+S   93.6541 57.0218 49.6521
+S   93.7477 56.9234 49.6553
+S   93.8212 56.8560 49.6432
+S   93.8882 56.6754 49.6995
+S   94.0082 56.5448 49.7130
+S   94.1827 56.4849 49.6290
+S   94.2970 56.4333 49.6074
+S   94.3890 56.3937 49.5453
+S   94.5080 56.4649 49.4534
+S   94.5385 56.3901 49.4625
+S   94.6021 56.2477 49.6078
+S   94.7111 56.1550 49.7130

4xe0_ligand_native_407/MCpath11.xyz ADDED Viewed

	@@ -0,0 +1,109 @@

+107
+107
+S   89.8541 57.7952 49.7034
+S   89.8131 57.9496 49.7076
+S   89.7572 58.0656 49.7267
+S   89.6906 58.0989 49.7941
+S   89.6013 58.1310 49.8718
+S   89.5834 58.1348 49.9421
+S   89.6298 58.2538 49.8369
+S   89.6625 58.2428 49.7521
+S   89.7229 58.1887 49.7143
+S   89.7387 58.0809 49.6334
+S   89.8128 58.1397 49.6395
+S   89.8918 58.1989 49.7013
+S   90.0108 58.1424 49.7128
+S   90.0987 58.1330 49.7512
+S   90.1621 58.2204 49.7884
+S   90.1141 58.2243 49.7814
+S   90.0882 58.2327 49.8075
+S   90.1488 58.3343 49.8658
+S   90.2260 58.4185 49.9205
+S   90.2511 58.4291 49.9003
+S   90.2658 58.3962 49.8735
+S   90.3374 58.3963 49.8722
+S   90.4064 58.3678 49.8171
+S   90.3793 58.2989 49.7674
+S   90.3814 58.2938 49.6730
+S   90.4167 58.2764 49.6855
+S   90.4845 58.3266 49.7338
+S   90.4469 58.2933 49.6745
+S   90.4312 58.2418 49.6530
+S   90.4689 58.2498 49.6633
+S   90.5208 58.2042 49.6757
+S   90.5837 58.2237 49.7278
+S   90.5601 58.2394 49.8239
+S   90.4419 58.2947 49.8607
+S   90.2944 58.4317 49.8913
+S   90.1168 58.4729 49.9092
+S   90.0116 58.4550 49.8857
+S   90.0462 58.4587 49.8617
+S   90.1192 58.4797 49.7334
+S   90.1777 58.5345 49.6687
+S   90.2639 58.5077 49.6759
+S   90.3089 58.4234 49.6692
+S   90.2900 58.3520 49.6279
+S   90.3513 58.2792 49.5542
+S   90.4625 58.3326 49.4999
+S   90.5820 58.3310 49.4051
+S   90.6322 58.2874 49.3516
+S   90.8193 58.2908 49.3563
+S   91.1146 58.1750 49.3474
+S   91.4359 57.8994 49.4262
+S   91.7611 57.5586 49.5786
+S   91.9954 57.3703 49.7357
+S   92.0935 57.3460 49.7561
+S   92.1387 57.4070 49.6989
+S   92.1579 57.4565 49.6533
+S   92.1163 57.4011 49.7294
+S   92.0559 57.3642 49.8184
+S   92.0576 57.3656 49.8483
+S   92.0196 57.4139 49.7855
+S   91.9910 57.4224 49.6711
+S   91.9902 57.3139 49.5695
+S   92.0610 57.2636 49.5384
+S   92.1374 57.1910 49.4694
+S   92.2260 57.2317 49.4963
+S   92.2563 57.3147 49.5808
+S   92.2692 57.3384 49.5874
+S   92.2030 57.4303 49.5962
+S   92.2344 57.5264 49.7140
+S   92.3652 57.4520 49.8084
+S   92.4628 57.3578 49.8181
+S   92.5031 57.3359 49.6862
+S   92.4983 57.3655 49.5868
+S   92.4846 57.4214 49.6901
+S   92.4938 57.5022 49.7090
+S   92.6700 57.5788 49.6485
+S   92.8263 57.6397 49.5186
+S   93.1112 57.6934 49.5234
+S   93.3246 57.7070 49.5324
+S   93.5099 57.6542 49.5455
+S   93.7855 57.6855 49.6020
+S   93.9745 57.6939 49.6381
+S   94.0615 57.6733 49.6867
+S   94.1040 57.6548 49.6890
+S   94.1856 57.6249 49.7544
+S   94.3445 57.6278 49.8175
+S   94.4667 57.5922 49.9107
+S   94.5080 57.4573 49.9631
+S   94.6036 57.4320 50.0094
+S   94.5964 57.4021 50.0268
+S   94.6255 57.4079 49.9259
+S   94.6059 57.4539 49.8497
+S   94.5638 57.5367 49.7782
+S   94.5455 57.5943 49.7760
+S   94.4783 57.6488 49.7830
+S   94.5241 57.7193 49.7675
+S   94.6219 57.6603 49.6711
+S   94.7106 57.5835 49.6083
+S   94.7561 57.5603 49.6448
+S   94.7885 57.5868 49.7120
+S   94.8698 57.6300 49.7368
+S   94.9133 57.5619 49.8589
+S   94.9600 57.4036 49.9720
+S   95.0178 57.2758 49.9297
+S   95.0553 57.1765 49.8280
+S   95.1399 57.2210 49.7486
+S   95.2605 57.1397 49.6609
+S   95.3200 56.9068 49.7046

4xe0_ligand_native_407/MCpath12.xyz ADDED Viewed

	@@ -0,0 +1,80 @@

+78
+78
+S   89.6633 57.9834 49.9808
+S   89.6301 58.0249 50.0340
+S   89.6112 58.0429 49.9682
+S   89.6297 58.0356 49.9026
+S   89.7557 58.0951 49.8016
+S   89.9011 58.0989 49.6531
+S   89.9615 58.1233 49.6672
+S   89.9917 58.0740 49.7564
+S   89.9518 58.0192 49.7816
+S   89.9322 57.9588 49.8844
+S   89.8908 57.8525 49.8900
+S   89.8959 57.8525 49.9130
+S   89.9367 57.8308 49.9642
+S   89.9566 57.8711 49.9176
+S   89.9620 57.9537 49.8656
+S   89.9729 57.8630 49.7295
+S   90.0242 57.8634 49.7828
+S   90.1374 57.8231 49.8111
+S   90.2315 57.7447 49.7865
+S   90.3286 57.6075 49.7147
+S   90.4367 57.5945 49.6453
+S   90.4929 57.5890 49.5852
+S   90.4532 57.5884 49.5942
+S   90.4042 57.5671 49.5350
+S   90.5214 57.5594 49.5023
+S   90.5661 57.6329 49.4781
+S   90.5284 57.6646 49.5965
+S   90.5184 57.6565 49.6632
+S   90.6332 57.7351 49.6274
+S   90.7461 57.7502 49.5462
+S   90.8374 57.6418 49.4167
+S   90.9350 57.6600 49.5280
+S   90.9975 57.6355 49.6330
+S   91.0791 57.6633 49.6818
+S   91.1103 57.6445 49.7526
+S   91.1698 57.5479 49.7920
+S   91.2791 57.4373 49.8160
+S   91.4152 57.3351 49.8334
+S   91.5477 57.3254 49.8335
+S   91.5480 57.4037 49.8322
+S   91.5102 57.4162 49.8149
+S   91.5673 57.3377 49.7549
+S   91.6735 57.3500 49.6706
+S   91.7557 57.3959 49.6693
+S   91.7850 57.3834 49.6418
+S   91.7554 57.4028 49.6268
+S   91.7496 57.4761 49.5861
+S   91.7191 57.5686 49.6177
+S   91.7148 57.6826 49.6810
+S   91.6846 57.6842 49.7317
+S   91.6036 57.6837 49.6361
+S   91.5756 57.7030 49.6001
+S   91.5537 57.5959 49.5738
+S   91.5114 57.5006 49.6212
+S   91.5074 57.5007 49.6690
+S   91.5356 57.4777 49.6624
+S   91.5511 57.5665 49.5745
+S   91.5206 57.6115 49.5265
+S   91.5115 57.6047 49.4873
+S   91.5473 57.5105 49.4436
+S   91.6028 57.3672 49.3804
+S   91.7568 57.2993 49.3684
+S   92.0669 57.3545 49.3863
+S   92.3235 57.3930 49.4426
+S   92.5646 57.3494 49.5956
+S   92.8454 57.2109 49.5598
+S   92.8376 57.1701 49.5055
+S   92.7909 57.0624 49.5658
+S   92.7152 56.8428 49.6918
+S   92.6840 56.7021 49.8313
+S   92.7896 56.5924 49.8402
+S   92.9065 56.5373 49.7383
+S   92.9820 56.5204 49.7051
+S   93.0985 56.5396 49.8214
+S   93.1979 56.4833 49.9697
+S   93.2348 56.3528 50.0762
+S   93.3362 56.1732 50.1425
+S   93.3417 56.0081 50.1535

4xe0_ligand_native_407/MCpath13.xyz ADDED Viewed

	@@ -0,0 +1,74 @@

+72
+72
+S   89.8952 57.8273 49.9072
+S   89.8235 57.7391 49.9375
+S   89.7460 57.6691 49.8671
+S   89.7598 57.6117 49.8291
+S   89.8806 57.6601 49.8238
+S   89.9602 57.6940 49.8247
+S   89.9646 57.6728 49.9042
+S   90.0352 57.6627 49.9135
+S   90.1350 57.7122 49.7626
+S   90.1962 57.7323 49.6582
+S   90.2844 57.7415 49.6903
+S   90.2888 57.6891 49.7222
+S   90.3205 57.5666 49.7447
+S   90.3353 57.4558 49.7289
+S   90.3453 57.5239 49.6945
+S   90.3922 57.5550 49.7288
+S   90.3849 57.4726 49.7469
+S   90.3773 57.4565 49.7397
+S   90.2866 57.4228 49.7379
+S   90.1444 57.3535 49.7861
+S   90.0949 57.2951 49.7438
+S   90.1291 57.2715 49.7596
+S   90.3033 57.2764 49.6977
+S   90.4884 57.2306 49.6515
+S   90.5503 57.2823 49.5063
+S   90.5126 57.4118 49.4290
+S   90.4434 57.5347 49.4710
+S   90.4483 57.6229 49.5798
+S   90.5379 57.6551 49.6990
+S   90.6743 57.6664 49.7223
+S   90.8010 57.6977 49.6308
+S   90.9240 57.6695 49.5739
+S   91.0891 57.5863 49.5780
+S   91.3427 57.5290 49.6028
+S   91.6487 57.3832 49.6422
+S   91.8370 57.2696 49.5991
+S   91.7221 57.1863 49.5356
+S   91.6992 57.1969 49.5025
+S   91.7729 57.3105 49.5425
+S   91.7045 57.2816 49.5924
+S   91.6961 57.1980 49.6101
+S   91.7736 57.2791 49.7110
+S   91.7664 57.3459 49.7231
+S   91.7198 57.2542 49.6184
+S   91.7619 57.1983 49.6983
+S   91.7045 57.3086 49.8245
+S   91.6706 57.4392 49.7490
+S   91.6259 57.5157 49.6264
+S   91.7440 57.5076 49.5636
+S   91.8245 57.5061 49.5158
+S   91.9044 57.4611 49.4881
+S   92.0612 57.3388 49.5339
+S   92.2461 57.3397 49.5848
+S   92.4304 57.5107 49.6273
+S   92.5033 57.5640 49.7617
+S   92.5488 57.4289 49.7250
+S   92.6414 57.2845 49.6077
+S   92.7641 57.2189 49.4948
+S   92.7307 57.1952 49.5037
+S   92.7594 57.1661 49.6428
+S   92.7827 57.1819 49.7869
+S   92.7156 57.1812 49.9304
+S   92.6923 57.1504 49.9197
+S   92.8031 57.0664 49.8268
+S   93.0007 56.9724 49.6719
+S   93.1242 56.8397 49.6613
+S   93.1792 56.6844 49.7677
+S   93.1587 56.5473 49.9141
+S   93.0342 56.4897 49.9489
+S   92.9405 56.3325 49.8844
+S   92.9147 56.1847 49.8335
+S   92.8624 56.0360 49.8403

4xe0_ligand_native_407/MCpath14.xyz ADDED Viewed

	@@ -0,0 +1,103 @@

+101
+101
+S   89.8346 57.8271 49.9145
+S   89.8441 57.8721 49.8711
+S   89.8146 57.8555 49.8068
+S   89.8221 57.8932 49.7947
+S   89.9003 57.9090 49.7472
+S   89.9477 57.8454 49.6766
+S   89.9413 57.7873 49.6681
+S   89.9080 57.7574 49.6841
+S   89.9950 57.6665 49.7383
+S   89.9930 57.6480 49.8259
+S   90.0737 57.6492 49.7923
+S   90.2333 57.6602 49.7363
+S   90.2770 57.6522 49.6646
+S   90.2953 57.6551 49.6261
+S   90.1783 57.6774 49.6374
+S   90.0798 57.6831 49.7235
+S   90.0601 57.6522 49.8016
+S   90.0475 57.5868 49.8802
+S   90.1014 57.4766 50.0066
+S   90.1650 57.5016 49.9829
+S   90.1198 57.5329 49.8302
+S   90.1036 57.5968 49.6285
+S   90.2966 57.6552 49.5048
+S   90.4527 57.7329 49.5074
+S   90.6056 57.7602 49.5141
+S   90.7075 57.8144 49.5750
+S   90.8241 57.8283 49.6329
+S   90.9035 57.8625 49.6515
+S   91.0312 57.8585 49.7495
+S   91.1056 57.8559 49.8563
+S   91.1472 57.6987 49.8464
+S   91.1930 57.5237 49.7759
+S   91.3609 57.4102 49.8285
+S   91.4073 57.4176 49.8632
+S   91.4105 57.3693 49.8176
+S   91.3451 57.2652 49.7803
+S   91.3347 57.1073 49.7956
+S   91.4215 56.9636 49.7764
+S   91.3454 56.8027 49.7164
+S   91.1918 56.7416 49.7935
+S   91.0419 56.8508 49.7700
+S   90.9719 56.9462 49.6898
+S   90.9890 56.9531 49.6390
+S   91.0799 56.8965 49.5206
+S   91.2720 56.9656 49.4683
+S   91.3470 56.8812 49.5892
+S   91.3957 56.7321 49.6482
+S   91.4594 56.6102 49.6695
+S   91.5496 56.6118 49.5811
+S   91.5901 56.5852 49.4043
+S   91.6153 56.5234 49.3624
+S   91.6515 56.4507 49.3086
+S   91.6514 56.4610 49.2623
+S   91.7227 56.3577 49.3416
+S   91.7460 56.3441 49.4215
+S   91.8340 56.3760 49.4870
+S   91.9069 56.5349 49.5395
+S   91.9580 56.7066 49.5873
+S   92.0306 56.8488 49.6617
+S   92.0895 56.8912 49.7483
+S   92.1315 56.9400 49.8816
+S   92.1230 56.9976 49.9430
+S   92.0890 57.0374 49.8077
+S   92.1772 57.1601 49.6930
+S   92.2394 57.2994 49.6369
+S   92.2865 57.4612 49.6316
+S   92.3890 57.6402 49.6390
+S   92.4690 57.7369 49.6269
+S   92.5496 57.8490 49.6744
+S   92.6678 57.8884 49.6894
+S   92.7803 57.8760 49.6460
+S   92.8322 57.7408 49.6493
+S   92.8405 57.5860 49.6767
+S   92.7868 57.4533 49.7195
+S   92.7459 57.3947 49.6144
+S   92.7283 57.4644 49.6820
+S   92.7872 57.5659 49.8997
+S   92.8455 57.5327 50.0356
+S   92.8922 57.4509 50.0252
+S   92.9814 57.4249 49.9244
+S   93.0711 57.4513 49.8932
+S   93.1101 57.3911 49.9563
+S   93.2278 57.3352 49.9237
+S   93.4392 57.3876 49.9650
+S   93.6237 57.4321 49.9681
+S   93.7354 57.3917 49.8684
+S   93.7788 57.3769 49.7623
+S   93.9116 57.5484 49.6555
+S   93.9677 57.6640 49.6519
+S   93.9941 57.7056 49.7002
+S   94.0155 57.6161 49.7197
+S   94.0539 57.4728 49.8407
+S   94.1250 57.4281 49.9919
+S   94.1577 57.4249 50.2133
+S   94.0907 57.3419 50.4246
+S   94.0991 57.3342 50.4928
+S   94.1290 57.3633 50.5405
+S   94.2558 57.4158 50.4277
+S   94.3881 57.4974 50.2744
+S   94.6015 57.5281 50.2151
+S   94.7798 57.4882 50.2539

4xe0_ligand_native_407/MCpath15.xyz ADDED Viewed

	@@ -0,0 +1,76 @@

+74
+74
+S   89.6979 57.9309 50.1205
+S   89.7699 58.0023 50.1406
+S   89.7515 58.1136 50.1420
+S   89.7327 58.2337 50.0688
+S   89.6948 58.3170 49.9712
+S   89.7149 58.2821 49.8980
+S   89.6833 58.1719 49.9219
+S   89.6928 58.1148 50.0035
+S   89.7341 58.1315 50.0380
+S   89.8150 58.1409 50.0498
+S   89.8667 58.0720 50.0670
+S   89.9272 57.9971 50.1687
+S   89.8947 57.9630 50.2274
+S   89.8060 57.8979 50.1856
+S   89.8468 57.9471 50.1356
+S   89.9514 57.8826 50.0019
+S   90.1304 57.8318 49.9567
+S   90.2361 57.7509 49.8221
+S   90.2738 57.7459 49.7141
+S   90.3808 57.7002 49.7623
+S   90.4247 57.6738 49.8999
+S   90.5082 57.6601 49.8820
+S   90.5487 57.6301 49.7177
+S   90.5125 57.5580 49.5251
+S   90.5558 57.4423 49.3445
+S   90.5217 57.3018 49.2434
+S   90.5527 57.2826 49.1758
+S   90.6200 57.3540 49.2365
+S   90.6840 57.4360 49.3453
+S   90.6958 57.4218 49.4251
+S   90.6435 57.4022 49.5216
+S   90.5702 57.3759 49.6264
+S   90.4828 57.3742 49.7252
+S   90.4863 57.4945 49.7349
+S   90.5694 57.5054 49.6646
+S   90.5978 57.5007 49.6390
+S   90.6442 57.4985 49.6904
+S   90.6098 57.5022 49.7364
+S   90.5774 57.4840 49.7146
+S   90.5585 57.5169 49.6368
+S   90.5855 57.4614 49.5796
+S   90.5762 57.3823 49.5331
+S   90.5629 57.3561 49.4124
+S   90.5446 57.3211 49.3357
+S   90.4921 57.3444 49.3847
+S   90.5017 57.3213 49.4830
+S   90.4655 57.2985 49.5425
+S   90.3596 57.3126 49.5357
+S   90.1811 57.3833 49.4631
+S   90.0802 57.4737 49.5444
+S   90.0718 57.4940 49.5641
+S   90.2258 57.5235 49.6386
+S   90.5542 57.6175 49.6910
+S   90.7660 57.6546 49.6354
+S   91.0748 57.6292 49.5423
+S   91.4410 57.5999 49.5304
+S   91.7277 57.5389 49.5827
+S   91.8198 57.4497 49.6802
+S   91.8862 57.4225 49.8100
+S   91.9863 57.4512 49.9129
+S   92.0965 57.4391 49.9408
+S   92.0707 57.4408 49.9919
+S   92.0207 57.4460 49.9299
+S   92.0695 57.4985 49.7909
+S   92.1373 57.5337 49.7385
+S   92.2003 57.5234 49.7268
+S   92.2575 57.3753 49.6328
+S   92.2829 57.1855 49.5716
+S   92.2960 57.0729 49.6338
+S   92.3861 57.0289 49.7713
+S   92.5036 56.8556 49.8581
+S   92.5859 56.5702 49.9042
+S   92.6825 56.2973 49.8598
+S   92.8174 56.0656 49.8090

4xe0_ligand_native_407/MCpath16.xyz ADDED Viewed

	@@ -0,0 +1,116 @@

+114
+114
+S   89.7826 58.0633 49.9971
+S   89.8064 58.0786 49.9405
+S   89.8270 58.1049 49.9192
+S   89.8654 58.1791 49.8928
+S   89.9207 58.2108 49.8290
+S   89.9290 58.1487 49.7787
+S   89.9850 58.0936 49.7975
+S   90.1073 58.1054 49.8666
+S   90.2009 58.0978 49.8712
+S   90.2539 58.0974 49.8290
+S   90.1839 58.1469 49.7726
+S   90.1060 58.1542 49.6959
+S   90.1283 58.2239 49.7672
+S   90.0811 58.3135 49.8608
+S   90.0407 58.4090 49.8429
+S   90.0362 58.4894 49.8373
+S   90.1184 58.5477 49.8613
+S   90.1578 58.4180 49.8967
+S   90.2600 58.3622 49.9667
+S   90.3443 58.3959 50.0072
+S   90.3391 58.3476 50.0527
+S   90.3496 58.3535 50.0451
+S   90.2991 58.3517 49.9040
+S   90.3788 58.2769 49.7895
+S   90.5633 58.3749 49.7196
+S   90.6006 58.3722 49.6088
+S   90.5948 58.3355 49.5247
+S   90.5738 58.3154 49.5206
+S   90.5857 58.2394 49.4855
+S   90.6377 58.3186 49.3950
+S   90.6239 58.3676 49.3314
+S   90.5801 58.3374 49.3769
+S   90.5807 58.3289 49.4345
+S   90.6003 58.2868 49.5380
+S   90.5669 58.4159 49.5764
+S   90.4660 58.4338 49.5630
+S   90.4896 58.3216 49.4971
+S   90.5278 58.3013 49.4457
+S   90.5019 58.2125 49.5246
+S   90.4295 58.2784 49.6242
+S   90.2992 58.3665 49.6563
+S   90.1559 58.3840 49.7354
+S   90.1172 58.4662 49.8404
+S   90.2042 58.4778 49.8656
+S   90.2811 58.6229 49.8009
+S   90.3150 58.7418 49.6872
+S   90.3588 58.7087 49.6341
+S   90.4226 58.5559 49.6837
+S   90.4515 58.5306 49.7055
+S   90.5442 58.5280 49.6566
+S   90.5021 58.3641 49.5857
+S   90.4620 58.2796 49.6521
+S   90.5609 58.2181 49.6343
+S   90.6053 58.1622 49.5318
+S   90.6375 58.1457 49.4889
+S   90.6362 58.1372 49.4632
+S   90.5608 58.1906 49.4705
+S   90.5455 58.3648 49.5654
+S   90.4756 58.5074 49.6350
+S   90.4425 58.6085 49.6221
+S   90.4363 58.6734 49.5671
+S   90.4867 58.7183 49.6111
+S   90.5721 58.7494 49.7114
+S   90.6290 58.8019 49.7366
+S   90.6486 58.6822 49.7008
+S   90.6243 58.5124 49.6317
+S   90.6691 58.4277 49.5981
+S   90.7838 58.4289 49.6183
+S   91.1470 58.4288 49.6867
+S   91.6059 58.1436 49.7062
+S   91.9478 57.7393 49.6736
+S   92.0105 57.5553 49.7591
+S   91.9931 57.5148 49.8693
+S   91.9088 57.4990 49.8987
+S   91.8718 57.4615 49.9388
+S   91.8708 57.4122 50.0120
+S   91.9133 57.4051 50.0011
+S   91.9542 57.5424 49.9485
+S   92.0495 57.6660 49.9056
+S   92.1828 57.7168 49.8921
+S   92.3170 57.7310 49.8303
+S   92.4170 57.6641 49.7683
+S   92.5625 57.5962 49.7336
+S   92.7931 57.4440 49.7353
+S   93.0213 57.4087 49.7024
+S   93.2033 57.2789 49.6505
+S   93.3126 57.2154 49.7094
+S   93.3274 57.1386 49.8062
+S   93.3647 57.0977 49.8541
+S   93.3734 57.2278 49.9305
+S   93.4005 57.3814 49.9842
+S   93.2953 57.4231 50.0222
+S   93.2310 57.4405 49.9924
+S   93.1765 57.4757 49.8995
+S   93.2244 57.4477 49.7875
+S   93.3492 57.4423 49.7443
+S   93.4597 57.4378 49.7610
+S   93.4993 57.3973 49.8810
+S   93.5079 57.3300 49.8953
+S   93.5628 57.2498 49.7398
+S   93.6025 57.1689 49.5734
+S   93.6545 57.1333 49.5582
+S   93.7322 57.1970 49.5676
+S   93.7022 57.2088 49.5353
+S   93.7237 57.2726 49.5745
+S   93.8196 57.3586 49.7446
+S   93.9177 57.3926 49.8832
+S   94.0092 57.3636 49.8867
+S   94.1677 57.3683 49.9345
+S   94.3333 57.3387 50.0290
+S   94.4441 57.2369 49.9765
+S   94.5581 57.0306 49.8546
+S   94.6644 56.6857 49.8088
+S   94.8180 56.4053 49.7583

4xe0_ligand_native_407/MCpath17.xyz ADDED Viewed

	@@ -0,0 +1,300 @@

+298
+298
+S   89.7034 58.0633 50.0250
+S   89.6708 58.1077 50.0005
+S   89.6617 58.1901 49.9655
+S   89.6603 58.2417 49.8885
+S   89.6549 58.2647 49.8483
+S   89.5997 58.2335 49.8607
+S   89.5348 58.2075 49.8386
+S   89.5875 58.2233 49.8028
+S   89.6509 58.2604 49.7311
+S   89.6861 58.2337 49.7813
+S   89.6931 58.1488 49.8655
+S   89.6479 58.1197 49.8499
+S   89.6233 58.1569 49.7526
+S   89.6643 58.2318 49.6366
+S   89.6667 58.2391 49.6143
+S   89.6643 58.3413 49.6141
+S   89.6159 58.4848 49.6402
+S   89.5314 58.4712 49.7718
+S   89.5170 58.4555 49.8600
+S   89.6247 58.3808 49.7530
+S   89.6917 58.3275 49.7350
+S   89.6895 58.2626 49.8621
+S   89.6687 58.1921 49.9091
+S   89.7101 58.1399 49.8417
+S   89.6849 58.2013 49.7540
+S   89.4935 58.2474 49.7914
+S   89.3320 58.2430 49.8660
+S   89.2073 58.3973 49.8524
+S   89.0594 58.4873 49.7037
+S   88.9187 58.5550 49.6868
+S   88.8884 58.5246 49.7416
+S   88.9689 58.4979 49.7121
+S   89.1393 58.4790 49.6714
+S   89.2665 58.3539 49.6345
+S   89.4170 58.2453 49.6264
+S   89.5930 58.2038 49.6289
+S   89.5634 58.1734 49.5696
+S   89.4882 58.1853 49.5567
+S   89.5167 58.2838 49.5463
+S   89.5699 58.3426 49.5940
+S   89.6670 58.3372 49.6094
+S   89.6250 58.3092 49.6038
+S   89.5725 58.3107 49.6497
+S   89.6298 58.4152 49.7256
+S   89.5667 58.4340 49.7335
+S   89.6592 58.4200 49.7686
+S   89.6568 58.4441 49.7587
+S   89.5742 58.4372 49.6957
+S   89.5258 58.4719 49.5628
+S   89.5005 58.5597 49.5454
+S   89.3896 58.5375 49.5196
+S   89.2753 58.3791 49.5028
+S   89.2287 58.3599 49.5107
+S   89.2338 58.3955 49.5180
+S   89.2872 58.4111 49.5604
+S   89.4172 58.4076 49.5771
+S   89.5171 58.3369 49.5880
+S   89.6793 58.3503 49.5598
+S   89.7030 58.2652 49.4793
+S   89.6825 58.2236 49.4181
+S   89.6172 58.3480 49.4914
+S   89.6350 58.4622 49.6095
+S   89.5880 58.5465 49.6955
+S   89.5960 58.5601 49.6850
+S   89.6352 58.5011 49.5475
+S   89.6319 58.4654 49.4500
+S   89.6114 58.4710 49.4314
+S   89.4935 58.4468 49.4533
+S   89.3676 58.4737 49.4639
+S   89.2923 58.5849 49.4575
+S   89.4079 58.6703 49.5238
+S   89.4041 58.6456 49.5149
+S   89.3389 58.5390 49.5055
+S   89.2650 58.4399 49.4322
+S   89.1778 58.3985 49.4081
+S   89.1281 58.3756 49.4160
+S   89.0939 58.3799 49.3435
+S   89.1189 58.3601 49.2997
+S   89.1974 58.4161 49.3420
+S   89.2344 58.5792 49.4718
+S   89.2008 58.6062 49.4482
+S   89.1748 58.5341 49.3670
+S   89.2857 58.5033 49.3504
+S   89.4184 58.5163 49.3899
+S   89.5109 58.5342 49.3797
+S   89.5470 58.6338 49.3361
+S   89.5217 58.7493 49.3613
+S   89.5025 58.7353 49.5151
+S   89.5316 58.6177 49.6685
+S   89.6102 58.6741 49.6488
+S   89.6199 58.7466 49.6367
+S   89.5330 58.8382 49.6686
+S   89.4497 58.8876 49.6190
+S   89.4541 58.8143 49.5505
+S   89.4845 58.7065 49.4188
+S   89.4473 58.6459 49.3867
+S   89.5178 58.6473 49.4681
+S   89.6240 58.6077 49.5764
+S   89.6526 58.4860 49.6820
+S   89.6692 58.4300 49.7052
+S   89.6352 58.4455 49.6569
+S   89.5488 58.4949 49.5422
+S   89.4641 58.5636 49.4695
+S   89.3523 58.5337 49.4375
+S   89.3369 58.4774 49.3779
+S   89.3705 58.4727 49.3847
+S   89.3704 58.5780 49.3630
+S   89.3045 58.5761 49.3730
+S   89.2481 58.5570 49.3746
+S   89.2322 58.5396 49.2973
+S   89.3277 58.5981 49.3050
+S   89.3555 58.5723 49.3694
+S   89.3469 58.5846 49.4355
+S   89.4034 58.5473 49.5332
+S   89.3440 58.4606 49.5823
+S   89.3859 58.4346 49.5979
+S   89.5467 58.4955 49.6110
+S   89.5887 58.6267 49.5581
+S   89.5484 58.6081 49.6079
+S   89.4604 58.5299 49.7006
+S   89.4940 58.5815 49.8024
+S   89.6083 58.5505 49.8464
+S   89.7277 58.4494 49.7958
+S   90.1662 58.2743 49.7370
+S   91.0648 58.1119 49.6864
+S   91.6139 57.7119 49.6950
+S   91.8613 57.3806 49.6262
+S   91.8437 57.3484 49.4574
+S   91.7462 57.4517 49.3978
+S   91.7363 57.4870 49.5617
+S   91.6989 57.4508 49.6068
+S   91.6401 57.4042 49.5542
+S   91.7681 57.3262 49.5736
+S   91.7987 57.2167 49.5446
+S   91.7175 57.1287 49.5556
+S   91.7128 57.0800 49.5061
+S   91.7073 56.9515 49.4695
+S   91.6365 56.9589 49.3855
+S   91.4819 56.9185 49.3033
+S   91.1943 56.8463 49.2897
+S   91.0352 56.8595 49.4194
+S   90.7757 56.9235 49.4610
+S   90.5249 56.9044 49.4256
+S   90.3863 56.7717 49.4507
+S   90.3625 56.5522 49.5372
+S   90.3804 56.3554 49.5358
+S   90.3160 56.0068 49.5321
+S   90.1933 55.6767 49.4956
+S   90.1272 55.5069 49.4428
+S   90.1031 55.4622 49.3276
+S   90.0399 55.5185 49.1555
+S   89.9556 55.5679 49.1180
+S   89.8597 55.6576 49.1285
+S   89.8529 55.7366 49.2057
+S   89.9264 55.7615 49.2774
+S   90.0222 55.7561 49.3036
+S   90.1936 55.8091 49.3372
+S   90.3962 55.9148 49.3774
+S   90.5683 55.9869 49.3596
+S   90.7178 56.0190 49.3188
+S   90.8990 56.0340 49.2295
+S   91.1151 56.1447 49.0556
+S   91.1964 56.2063 48.8820
+S   91.2198 56.1976 48.7688
+S   91.2223 56.1515 48.6629
+S   91.2623 56.1284 48.5527
+S   91.3514 56.0445 48.5219
+S   91.4356 55.8671 48.5926
+S   91.4902 55.6500 48.6434
+S   91.4774 55.5117 48.6581
+S   91.4860 55.4292 48.7044
+S   91.5244 55.3490 48.7390
+S   91.5645 55.2939 48.6939
+S   91.6166 55.2539 48.6502
+S   91.6239 55.2287 48.6413
+S   91.6329 55.1777 48.7218
+S   91.6476 55.1114 48.8513
+S   91.5947 55.0547 48.8698
+S   91.5821 54.9999 48.7265
+S   91.6404 54.9522 48.6656
+S   91.7036 54.8471 48.6801
+S   91.7318 54.7289 48.5573
+S   91.6468 54.6698 48.4334
+S   91.4976 54.6198 48.4707
+S   91.3375 54.4839 48.6064
+S   91.1972 54.3210 48.7001
+S   91.1401 54.2212 48.7877
+S   91.1741 54.1521 48.8312
+S   91.2244 54.0988 48.7923
+S   91.2053 53.9849 48.7585
+S   91.1862 53.8509 48.7090
+S   91.1862 53.7659 48.7806
+S   91.1360 53.6968 48.8210
+S   91.0503 53.6828 48.7829
+S   91.0108 53.5386 48.7190
+S   91.0093 53.4948 48.6117
+S   90.9662 53.4476 48.6036
+S   90.8834 53.2716 48.6282
+S   90.7901 53.1065 48.5872
+S   90.6715 52.9821 48.6201
+S   90.6683 52.9669 48.5400
+S   90.6607 53.0458 48.3549
+S   90.6941 53.0237 48.2926
+S   90.6422 52.8670 48.2775
+S   90.5544 52.7442 48.3350
+S   90.5760 52.7056 48.4020
+S   90.6819 52.7958 48.4062
+S   90.6842 52.8398 48.3290
+S   90.6825 52.8604 48.2396
+S   90.6741 52.8157 48.2012
+S   90.5973 52.7376 48.1711
+S   90.4500 52.6862 48.2300
+S   90.3049 52.5429 48.2610
+S   90.0447 52.4534 48.2024
+S   89.7502 52.4201 48.1519
+S   89.5731 52.2287 48.1715
+S   89.3489 52.1495 48.1294
+S   89.1468 52.1182 48.0638
+S   89.0506 52.1045 48.1325
+S   89.0512 52.1298 48.2591
+S   89.0571 52.0420 48.2892
+S   89.1779 51.9773 48.3086
+S   89.3045 51.9796 48.3086
+S   89.3803 51.9099 48.2802
+S   89.4295 51.7968 48.2061
+S   89.5017 51.6992 48.1051
+S   89.4637 51.5110 48.0133
+S   89.4172 51.2919 47.8683
+S   89.4260 51.1506 47.7305
+S   89.4967 51.1165 47.7042
+S   89.6593 51.0753 47.7114
+S   89.8413 51.0246 47.7626
+S   89.9998 50.9329 47.8640
+S   90.1466 50.9458 47.9077
+S   90.3240 50.8483 47.9530
+S   90.4758 50.7919 47.8256
+S   90.6333 50.9015 47.6734
+S   90.7507 50.9289 47.6023
+S   90.7740 51.0523 47.6396
+S   90.8262 51.1780 47.6816
+S   90.9573 51.2476 47.6821
+S   91.0413 51.2895 47.5830
+S   91.0790 51.3299 47.5744
+S   91.2274 51.3409 47.6561
+S   91.3308 51.4472 47.8045
+S   91.5060 51.5279 47.8341
+S   91.7184 51.5168 47.7455
+S   91.7656 51.4658 47.7642
+S   91.8182 51.4564 47.7676
+S   91.7686 51.5004 47.5880
+S   91.7239 51.4771 47.4706
+S   91.7800 51.3683 47.3551
+S   91.8396 51.2663 47.3758
+S   91.9134 51.1500 47.4295
+S   91.9061 51.0524 47.4770
+S   91.8687 50.9119 47.6412
+S   91.9546 50.8064 47.7918
+S   91.9606 50.8279 47.7930
+S   92.0422 50.8753 47.8266
+S   92.1221 50.8642 47.9203
+S   92.1849 50.7537 47.9909
+S   92.3027 50.5757 48.0524
+S   92.4089 50.4372 48.0804
+S   92.5121 50.2265 48.0728
+S   92.6055 50.0354 48.0724
+S   92.6179 49.9064 48.0993
+S   92.5540 49.9115 48.1817
+S   92.4433 50.0427 48.2955
+S   92.2921 50.1606 48.2769
+S   92.1501 50.2288 48.3364
+S   92.1358 50.2400 48.5308
+S   92.2041 50.3745 48.7659
+S   92.2796 50.4994 48.9308
+S   92.3364 50.6203 48.9638
+S   92.4457 50.6286 49.0583
+S   92.5782 50.5378 49.2913
+S   92.7554 50.6298 49.4313
+S   92.9048 50.6987 49.4628
+S   92.9821 50.6954 49.4233
+S   92.9982 50.6630 49.4359
+S   93.0166 50.6227 49.3739
+S   93.0587 50.6189 49.3228
+S   93.0503 50.5991 49.3018
+S   93.0197 50.5921 49.3806
+S   93.0042 50.5549 49.3879
+S   92.9846 50.4946 49.3645
+S   92.9563 50.3701 49.3034
+S   92.9659 50.2158 49.3078
+S   92.9483 50.1565 49.3434
+S   92.9786 50.0496 49.3383
+S   92.9922 49.9367 49.2726
+S   92.9845 49.8449 49.2685
+S   92.9514 49.8032 49.3395
+S   93.0470 49.7821 49.3909
+S   93.2106 49.7267 49.4134
+S   93.3648 49.6463 49.4994
+S   93.5760 49.5905 49.5201
+S   93.7392 49.5348 49.5565

4xe0_ligand_native_407/MCpath18.xyz ADDED Viewed

	@@ -0,0 +1,87 @@

+85
+85
+S   89.7109 57.8832 49.8258
+S   89.6716 57.8130 49.8989
+S   89.6293 57.8020 49.9612
+S   89.6214 57.8338 49.9322
+S   89.5871 57.8099 49.8057
+S   89.5832 57.8753 49.7796
+S   89.5975 57.9262 49.7130
+S   89.6078 58.0066 49.6471
+S   89.6327 57.9683 49.5678
+S   89.5960 57.9462 49.5602
+S   89.5651 57.8470 49.5362
+S   89.5525 57.8571 49.6025
+S   89.5327 57.8943 49.7323
+S   89.6018 57.9492 49.6702
+S   89.6642 57.9635 49.5925
+S   89.6941 57.8802 49.5700
+S   89.7270 57.8160 49.6337
+S   89.7612 57.7948 49.7276
+S   89.8541 57.8521 49.6942
+S   89.9719 57.9124 49.7185
+S   90.1736 57.9332 49.7472
+S   90.3378 57.9098 49.7506
+S   90.5040 57.8965 49.7395
+S   90.6971 57.9225 49.6974
+S   90.7601 57.8919 49.6011
+S   90.7338 57.8649 49.6065
+S   90.6665 57.8173 49.6124
+S   90.6292 57.7357 49.6077
+S   90.6126 57.6974 49.5943
+S   90.4698 57.6408 49.5374
+S   90.4555 57.5733 49.4673
+S   90.5805 57.4320 49.4046
+S   90.8329 57.2551 49.4052
+S   91.0681 57.1623 49.4203
+S   91.1943 57.1075 49.4593
+S   91.3122 57.1435 49.5064
+S   91.3955 57.3352 49.5338
+S   91.3418 57.5987 49.5593
+S   91.2259 57.8492 49.6885
+S   91.2099 57.9746 49.7586
+S   91.2509 57.9421 49.8074
+S   91.2532 57.8416 49.8034
+S   91.2256 57.8703 49.6926
+S   91.3279 57.9301 49.5755
+S   91.4424 57.9089 49.5218
+S   91.5023 57.8626 49.4562
+S   91.5941 57.7502 49.4716
+S   91.6921 57.5920 49.5157
+S   91.7253 57.4808 49.6400
+S   91.8546 57.5299 49.8773
+S   92.0353 57.5126 50.0537
+S   92.1478 57.4122 50.1276
+S   92.1995 57.3179 50.1652
+S   92.2710 57.2699 50.2506
+S   92.3709 57.2750 50.2687
+S   92.5430 57.3681 50.2049
+S   92.5600 57.4499 50.1678
+S   92.5195 57.5684 50.2063
+S   92.4845 57.5596 50.2628
+S   92.5001 57.5467 50.4144
+S   92.5080 57.5177 50.6268
+S   92.4942 57.4226 50.6227
+S   92.5133 57.2845 50.4925
+S   92.6190 57.3073 50.5455
+S   92.7623 57.3142 50.6578
+S   92.8233 57.2548 50.5821
+S   92.9627 57.2125 50.4376
+S   93.1207 57.1035 50.4606
+S   93.2873 57.0394 50.4813
+S   93.3765 57.0378 50.4204
+S   93.4895 56.9608 50.3960
+S   93.5652 56.8154 50.3264
+S   93.5189 56.6198 50.3405
+S   93.5954 56.5292 50.3724
+S   93.7235 56.5357 50.3589
+S   93.7566 56.4607 50.3657
+S   93.8797 56.3573 50.3831
+S   93.9787 56.2182 50.4150
+S   94.0706 56.1678 50.4068
+S   94.1054 56.1935 50.2722
+S   93.9942 56.2326 50.1976
+S   93.9174 56.2337 50.1255
+S   93.9328 56.1809 50.0939
+S   94.0473 56.1208 50.0949
+S   94.2483 56.0679 50.0825

4xe0_ligand_native_407/MCpath19.xyz ADDED Viewed

	@@ -0,0 +1,90 @@

+88
+88
+S   89.6809 57.8737 49.8680
+S   89.6700 57.8273 49.8692
+S   89.7207 57.7835 49.9444
+S   89.7461 57.7737 50.0648
+S   89.7903 57.7321 50.1131
+S   89.7862 57.7318 50.2264
+S   89.8089 57.7503 50.2408
+S   89.8082 57.6805 50.2296
+S   89.8336 57.6575 50.2369
+S   89.8527 57.7947 50.2150
+S   89.9220 57.9123 50.2047
+S   90.0373 57.9009 50.1927
+S   90.0659 57.8914 50.1578
+S   90.0972 57.9256 50.1156
+S   90.1741 57.9694 50.0238
+S   90.2254 57.9563 49.9173
+S   90.1846 57.8745 49.8275
+S   90.1888 57.8372 49.9042
+S   90.1806 57.8089 49.8433
+S   90.1904 57.8514 49.6672
+S   90.2704 57.8541 49.5020
+S   90.3879 57.8056 49.4089
+S   90.3479 57.7529 49.3483
+S   90.2698 57.6859 49.3588
+S   90.2634 57.5735 49.4468
+S   90.3837 57.4762 49.5289
+S   90.3057 57.3950 49.6207
+S   90.2385 57.3223 49.6317
+S   90.2176 57.4022 49.6736
+S   90.2160 57.4523 49.7005
+S   90.2332 57.4734 49.6521
+S   90.3185 57.5261 49.5718
+S   90.4579 57.5867 49.4751
+S   90.5780 57.5471 49.3788
+S   90.6873 57.5516 49.3191
+S   90.8045 57.4900 49.2755
+S   90.9736 57.4327 49.3712
+S   91.1094 57.4867 49.5446
+S   91.2303 57.6381 49.6405
+S   91.4181 57.6798 49.6398
+S   91.5612 57.6364 49.6429
+S   91.6297 57.5957 49.7220
+S   91.6256 57.4866 49.7246
+S   91.5669 57.4062 49.5757
+S   91.4609 57.2847 49.4291
+S   91.3778 57.3376 49.4696
+S   91.4408 57.4005 49.5051
+S   91.4013 57.3344 49.5416
+S   91.2971 57.2950 49.6055
+S   91.1838 57.1918 49.4420
+S   91.1041 57.1637 49.2928
+S   91.1357 57.2500 49.2037
+S   91.1420 57.2893 49.2789
+S   91.1687 57.3706 49.3766
+S   91.2700 57.4064 49.4407
+S   91.4232 57.3889 49.5549
+S   91.5028 57.5110 49.6564
+S   91.4451 57.5237 49.6403
+S   91.4634 57.4524 49.6702
+S   91.4285 57.4416 49.6899
+S   91.5397 57.4654 49.6662
+S   91.7456 57.4349 49.6450
+S   91.9636 57.5361 49.6792
+S   92.1887 57.6153 49.7276
+S   92.3139 57.6101 49.7351
+S   92.4379 57.6240 49.7864
+S   92.5840 57.5261 49.8453
+S   92.7766 57.5567 49.8070
+S   92.8221 57.4393 49.7870
+S   92.8170 57.2538 49.8086
+S   92.8508 57.1858 49.8430
+S   92.8996 57.1080 49.8596
+S   92.9150 56.9006 49.8288
+S   92.9208 56.7952 49.6874
+S   92.9385 56.7244 49.5281
+S   93.0626 56.6557 49.5577
+S   93.0747 56.5796 49.6726
+S   92.9989 56.5596 49.8172
+S   92.9752 56.4954 49.8410
+S   93.0246 56.4923 49.7432
+S   93.1425 56.5291 49.7153
+S   93.2457 56.5015 49.6678
+S   93.2864 56.5160 49.6310
+S   93.2892 56.4690 49.5774
+S   93.3785 56.2717 49.6457
+S   93.5543 56.1383 49.7112
+S   93.8107 56.1147 49.7047
+S   94.1324 56.0910 49.6286

4xe0_ligand_native_407/MCpath2.xyz ADDED Viewed

	@@ -0,0 +1,83 @@

+81
+81
+S   89.9893 57.8909 50.0139
+S   89.9546 57.9474 49.9549
+S   89.8238 57.9632 49.9886
+S   89.7583 57.9665 50.0774
+S   89.7247 58.0348 50.1101
+S   89.7071 58.0301 50.1117
+S   89.7438 58.0213 50.0712
+S   89.8574 57.9773 50.0096
+S   90.0003 57.9121 50.0110
+S   90.1175 57.8988 50.0482
+S   90.1881 57.8672 49.9809
+S   90.1733 57.8315 49.8878
+S   90.2227 57.8172 49.8498
+S   90.2475 57.7595 49.9181
+S   90.2359 57.8317 50.0038
+S   90.1551 57.8749 49.9062
+S   90.0936 57.9157 49.7979
+S   90.1456 57.9770 49.7636
+S   90.1691 57.9040 49.8301
+S   90.1415 57.8496 49.8841
+S   90.1965 57.8230 49.7926
+S   90.2525 57.8618 49.7254
+S   90.3030 57.8824 49.6282
+S   90.4469 57.8208 49.5765
+S   90.6055 57.7200 49.5301
+S   90.7241 57.7070 49.4497
+S   90.7806 57.7217 49.4592
+S   90.8762 57.8173 49.5351
+S   90.8540 57.7908 49.5742
+S   90.8254 57.7180 49.5811
+S   90.7818 57.6862 49.6014
+S   90.7914 57.5960 49.6699
+S   90.8591 57.5119 49.7518
+S   91.0043 57.5797 49.8224
+S   91.0144 57.6326 49.7891
+S   90.9981 57.6809 49.7590
+S   91.1183 57.7716 49.7607
+S   91.1487 57.7787 49.6951
+S   91.1773 57.7044 49.6196
+S   91.2740 57.6193 49.5977
+S   91.3492 57.5508 49.6209
+S   91.3651 57.4618 49.6109
+S   91.4062 57.4085 49.5261
+S   91.4873 57.3256 49.5457
+S   91.5761 57.3700 49.5944
+S   91.7003 57.3940 49.5830
+S   91.7657 57.4886 49.6113
+S   91.7418 57.5118 49.6133
+S   91.7052 57.4956 49.5955
+S   91.7399 57.4145 49.6116
+S   91.7345 57.4651 49.6363
+S   91.7870 57.5335 49.6625
+S   91.8447 57.5235 49.6897
+S   91.9067 57.4911 49.7879
+S   92.0426 57.5298 49.8120
+S   92.1247 57.5053 49.6467
+S   92.1075 57.3964 49.5857
+S   92.1645 57.4215 49.6562
+S   92.3296 57.5318 49.7925
+S   92.5277 57.5090 49.8558
+S   92.7405 57.3405 49.8768
+S   92.8359 57.2103 49.8354
+S   92.8680 57.1540 49.8775
+S   92.8144 57.1934 50.0326
+S   92.8055 57.3472 50.1829
+S   92.7413 57.5063 50.3840
+S   92.7820 57.6319 50.3855
+S   92.8003 57.6598 50.3457
+S   92.7375 57.5347 50.2928
+S   92.7608 57.5131 50.3131
+S   92.8312 57.4811 50.4075
+S   92.9595 57.4152 50.5435
+S   93.0586 57.3243 50.6107
+S   93.1621 57.2718 50.6680
+S   93.1710 57.2487 50.7173
+S   93.1736 57.2048 50.7080
+S   93.1948 57.0619 50.6163
+S   93.2723 56.8152 50.4644
+S   93.3938 56.4923 50.3699
+S   93.5354 56.1864 50.2361
+S   93.5817 55.8708 50.1094

4xe0_ligand_native_407/MCpath20.xyz ADDED Viewed

	@@ -0,0 +1,97 @@

+95
+95
+S   89.7236 57.9354 49.8838
+S   89.7681 57.9212 49.9450
+S   89.8284 57.8841 50.0350
+S   89.9624 57.8752 50.0827
+S   90.0722 57.8959 50.1527
+S   90.0645 57.8297 50.2219
+S   90.0377 57.7402 50.0903
+S   90.1152 57.8040 49.8636
+S   90.2119 57.9215 49.6626
+S   90.2232 57.9226 49.6035
+S   90.1333 57.7994 49.6761
+S   90.1305 57.6461 49.7432
+S   90.1598 57.5785 49.6774
+S   90.1812 57.6452 49.6908
+S   90.2384 57.7415 49.7107
+S   90.2579 57.7561 49.6784
+S   90.2703 57.6205 49.7257
+S   90.2594 57.4825 49.7552
+S   90.3528 57.4261 49.7212
+S   90.4932 57.4841 49.6996
+S   90.4652 57.5048 49.6999
+S   90.4309 57.4187 49.7055
+S   90.3555 57.4028 49.6953
+S   90.1921 57.4971 49.6588
+S   90.1045 57.6568 49.6932
+S   90.1159 57.8484 49.7911
+S   90.0887 57.8669 49.8684
+S   90.1582 57.8306 49.8537
+S   90.1938 57.7178 49.7748
+S   90.2793 57.6854 49.7841
+S   90.4462 57.7426 49.8292
+S   90.5230 57.7127 49.8609
+S   90.5642 57.6083 49.9113
+S   90.6338 57.5422 49.8784
+S   90.6134 57.5061 49.7534
+S   90.5554 57.4195 49.5588
+S   90.5451 57.5427 49.5225
+S   90.5171 57.7239 49.5422
+S   90.5309 57.7314 49.6119
+S   90.5715 57.7956 49.6654
+S   90.5397 57.7003 49.6981
+S   90.4823 57.5761 49.7505
+S   90.4291 57.4432 49.7760
+S   90.4376 57.2801 49.6882
+S   90.5510 57.2243 49.6415
+S   90.7322 57.2719 49.6560
+S   90.9218 57.3344 49.6358
+S   91.1091 57.2903 49.6292
+S   91.3717 57.3193 49.6207
+S   91.6157 57.3503 49.5509
+S   91.8640 57.2769 49.4374
+S   91.9572 57.2468 49.4917
+S   92.0339 57.2828 49.5123
+S   92.0809 57.3809 49.6368
+S   92.1502 57.3652 49.7832
+S   92.2258 57.4113 49.7545
+S   92.2183 57.4612 49.7195
+S   92.2142 57.5137 49.7849
+S   92.1965 57.5244 49.7881
+S   92.3286 57.4327 49.7655
+S   92.4595 57.4666 49.6960
+S   92.6043 57.5381 49.5557
+S   92.7471 57.4826 49.4044
+S   92.7894 57.4039 49.4708
+S   92.8206 57.3276 49.6985
+S   92.8014 57.3667 49.8534
+S   92.7223 57.4378 49.8938
+S   92.6815 57.4630 49.7760
+S   92.6391 57.5200 49.5875
+S   92.6282 57.5074 49.4756
+S   92.5923 57.5226 49.4527
+S   92.5007 57.6114 49.4585
+S   92.4268 57.6664 49.4532
+S   92.4510 57.5804 49.5260
+S   92.5950 57.4817 49.6764
+S   92.7733 57.5128 49.8149
+S   92.8795 57.4638 49.8521
+S   93.0139 57.3170 49.8229
+S   93.1942 57.3104 49.6801
+S   93.4536 57.4095 49.6674
+S   93.6979 57.4547 49.7029
+S   93.9603 57.3790 49.7879
+S   94.0730 57.3381 49.8642
+S   94.1355 57.2669 49.8072
+S   94.2140 57.2099 49.8042
+S   94.2604 57.2025 49.8238
+S   94.2591 57.1423 49.7498
+S   94.2914 57.0865 49.6158
+S   94.2858 56.9398 49.4978
+S   94.3281 56.8293 49.4882
+S   94.3117 56.6557 49.4821
+S   94.2458 56.5507 49.4034
+S   94.2140 56.4064 49.2777
+S   94.3107 56.2178 49.2301
+S   94.4966 56.0353 49.2565

4xe0_ligand_native_407/MCpath21.xyz ADDED Viewed

	@@ -0,0 +1,94 @@

+92
+92
+S   89.8690 57.8624 49.7680
+S   89.8657 57.8601 49.9178
+S   89.8188 57.8226 50.0022
+S   89.7873 57.7655 50.0484
+S   89.9050 57.7204 50.0306
+S   90.0813 57.7477 49.9741
+S   90.1785 57.7551 49.9026
+S   90.2183 57.7109 49.8077
+S   90.1339 57.7150 49.7343
+S   89.9380 57.8544 49.6284
+S   89.8194 58.0312 49.6051
+S   89.8032 58.1418 49.6473
+S   89.8143 58.2141 49.7103
+S   89.8724 58.1540 49.7088
+S   89.9431 58.0878 49.7014
+S   90.0303 58.1260 49.7534
+S   90.0537 58.1772 49.7350
+S   90.1456 58.1721 49.6788
+S   90.1342 58.0948 49.6466
+S   90.1984 58.1672 49.6051
+S   90.2348 58.2021 49.6139
+S   90.2195 58.1700 49.6528
+S   90.2471 58.2418 49.7225
+S   90.2065 58.3350 49.7746
+S   90.2224 58.4074 49.7997
+S   90.2193 58.1938 49.8370
+S   90.3106 58.0425 49.7898
+S   90.3827 57.9253 49.7480
+S   90.5419 57.7527 49.6782
+S   90.7193 57.5154 49.5057
+S   90.8166 57.2041 49.3752
+S   90.9593 57.0768 49.3697
+S   91.1190 56.9768 49.4015
+S   91.1257 56.9275 49.5149
+S   91.0583 56.9335 49.6118
+S   90.9007 56.9917 49.4693
+S   90.7549 57.0367 49.3567
+S   90.6896 57.1015 49.3688
+S   90.7215 57.1331 49.4199
+S   90.8195 57.2542 49.4658
+S   90.9712 57.3329 49.4757
+S   91.1216 57.3236 49.4445
+S   91.2906 57.3718 49.5028
+S   91.4883 57.3245 49.5445
+S   91.6298 57.3525 49.6240
+S   91.7430 57.3004 49.6928
+S   91.7995 57.2576 49.6839
+S   91.8284 57.2417 49.6014
+S   91.8510 57.2063 49.4411
+S   91.8349 57.1483 49.4004
+S   91.8313 57.2077 49.4498
+S   91.8369 57.1840 49.5057
+S   91.9331 57.1125 49.4476
+S   91.9569 57.1272 49.3772
+S   91.9241 57.0812 49.5073
+S   91.9834 57.0577 49.6078
+S   92.0910 57.2346 49.6120
+S   92.1652 57.3988 49.5319
+S   92.1359 57.4163 49.4692
+S   92.1753 57.4851 49.5273
+S   92.2186 57.5332 49.7057
+S   92.2982 57.5562 49.7047
+S   92.4453 57.5931 49.7373
+S   92.6356 57.6249 49.8621
+S   92.7515 57.7508 50.0376
+S   92.7422 57.7910 50.0657
+S   92.7680 57.6230 50.0000
+S   92.8032 57.5360 49.8171
+S   92.8686 57.5689 49.7503
+S   92.9119 57.5256 49.8869
+S   92.9662 57.5501 49.8762
+S   93.0217 57.5701 49.8213
+S   93.0014 57.5547 49.8641
+S   93.0862 57.6246 49.9007
+S   93.1890 57.6434 49.8258
+S   93.3374 57.6123 49.7636
+S   93.4458 57.6157 49.6354
+S   93.5252 57.5255 49.5122
+S   93.6449 57.4363 49.4029
+S   93.7098 57.4859 49.3560
+S   93.8490 57.5042 49.4513
+S   93.9721 57.4851 49.5673
+S   94.0119 57.4534 49.6255
+S   94.0545 57.4699 49.7216
+S   94.0341 57.4665 49.6544
+S   93.9685 57.3733 49.6560
+S   93.9936 57.2362 49.6865
+S   94.0720 57.1218 49.6882
+S   94.2514 57.0356 49.6426
+S   94.4539 56.8368 49.5792
+S   94.5869 56.5368 49.6465
+S   94.7234 56.2572 49.6947

4xe0_ligand_native_407/MCpath22.xyz ADDED Viewed

	@@ -0,0 +1,70 @@

+68
+68
+S   89.8499 57.9161 49.9922
+S   89.7646 57.9905 49.9902
+S   89.6147 58.0466 50.0087
+S   89.5802 58.0101 49.9655
+S   89.7142 57.9131 49.9363
+S   89.8780 57.7758 49.9023
+S   90.0233 57.6419 49.8080
+S   90.1983 57.6519 49.8050
+S   90.3255 57.6730 49.8359
+S   90.3599 57.6264 49.7743
+S   90.4206 57.6543 49.7670
+S   90.4457 57.7551 49.7669
+S   90.4867 57.7809 49.8126
+S   90.3923 57.7544 49.9040
+S   90.4178 57.7287 49.9315
+S   90.4131 57.6886 49.8952
+S   90.4105 57.6349 49.8475
+S   90.2624 57.5756 49.7242
+S   90.1263 57.5653 49.6123
+S   90.0798 57.5186 49.5927
+S   90.0078 57.5949 49.7040
+S   89.9989 57.6309 49.7542
+S   90.0541 57.6758 49.7131
+S   90.2119 57.7864 49.6856
+S   90.4401 57.8199 49.7426
+S   90.5681 57.7028 49.8533
+S   90.6308 57.7093 49.7918
+S   90.6518 57.7125 49.6527
+S   90.6592 57.6870 49.5334
+S   90.6206 57.5993 49.5029
+S   90.6918 57.5229 49.5085
+S   90.7787 57.4590 49.5694
+S   90.9912 57.5137 49.7190
+S   91.1787 57.4582 49.7259
+S   91.2731 57.4133 49.6305
+S   91.3294 57.4677 49.5938
+S   91.3439 57.4251 49.5916
+S   91.4019 57.3879 49.6677
+S   91.4402 57.4238 49.6490
+S   91.4556 57.4666 49.6010
+S   91.4466 57.4626 49.6064
+S   91.5085 57.4719 49.5856
+S   91.6294 57.5145 49.5078
+S   91.6934 57.4879 49.5502
+S   91.8451 57.5672 49.5971
+S   91.9962 57.7212 49.6202
+S   92.0187 57.7132 49.5570
+S   92.0311 57.6831 49.4915
+S   92.0141 57.6416 49.5087
+S   92.0105 57.5492 49.6319
+S   91.9861 57.4762 49.6256
+S   92.0291 57.3987 49.5867
+S   92.0019 57.3226 49.6107
+S   92.0126 57.1918 49.5872
+S   92.0109 57.1521 49.6492
+S   92.0901 57.1175 49.5989
+S   92.2265 57.0120 49.6250
+S   92.2888 56.7445 49.5605
+S   92.3398 56.5689 49.5608
+S   92.4152 56.4355 49.5485
+S   92.4141 56.2719 49.4883
+S   92.4443 56.0628 49.5194
+S   92.3983 55.8582 49.5457
+S   92.3400 55.6849 49.5370
+S   92.3178 55.5818 49.5845
+S   92.2969 55.4281 49.6563
+S   92.3131 55.2311 49.6055
+S   92.4488 55.0474 49.4858

4xe0_ligand_native_407/MCpath23.xyz ADDED Viewed

	@@ -0,0 +1,81 @@

+79
+79
+S   89.6063 57.8834 50.0218
+S   89.5591 57.9720 50.1591
+S   89.5316 58.0047 50.2128
+S   89.5365 57.9828 50.1361
+S   89.5528 57.9253 50.0504
+S   89.6416 57.8590 49.9548
+S   89.7506 57.8343 49.9428
+S   89.8256 57.8348 49.9240
+S   89.8858 57.8389 49.8806
+S   89.8924 57.9359 49.9696
+S   89.8739 57.9991 50.0999
+S   89.8718 58.0080 50.1881
+S   89.9202 58.0443 50.1924
+S   90.0393 57.9769 50.2654
+S   90.1358 57.8616 50.1946
+S   90.2628 57.7194 49.9929
+S   90.3268 57.5806 49.9040
+S   90.2937 57.5307 49.9041
+S   90.2577 57.4791 49.7707
+S   90.2592 57.5144 49.6885
+S   90.2496 57.6523 49.7293
+S   90.2155 57.7004 49.7436
+S   90.1601 57.6484 49.7442
+S   90.0521 57.6090 49.8098
+S   90.1100 57.6696 49.8192
+S   90.2329 57.6154 49.8176
+S   90.3539 57.6443 49.9190
+S   90.4709 57.6114 49.9205
+S   90.5517 57.5543 49.8190
+S   90.6402 57.5042 49.7788
+S   90.7129 57.4975 49.6618
+S   90.8573 57.5221 49.5533
+S   91.0284 57.5593 49.5803
+S   91.1251 57.5496 49.6875
+S   91.1259 57.5769 49.6643
+S   91.1472 57.6144 49.6007
+S   91.2162 57.7116 49.5479
+S   91.3034 57.7773 49.5206
+S   91.3450 57.6571 49.6323
+S   91.3822 57.5434 49.7581
+S   91.3419 57.6129 49.8279
+S   91.3930 57.7256 49.7341
+S   91.3992 57.7016 49.6736
+S   91.4181 57.6476 49.6673
+S   91.4899 57.6831 49.6933
+S   91.5669 57.6475 49.6909
+S   91.5974 57.5012 49.6448
+S   91.5184 57.4450 49.6662
+S   91.4541 57.4980 49.7113
+S   91.3980 57.4653 49.7420
+S   91.3968 57.3601 49.7328
+S   91.5463 57.3701 49.6949
+S   91.7459 57.2990 49.6097
+S   91.8976 57.2809 49.6687
+S   92.0046 57.2914 49.7129
+S   92.0888 57.3641 49.7006
+S   92.1959 57.3358 49.6601
+S   92.2781 57.3328 49.6204
+S   92.3966 57.3443 49.7059
+S   92.5190 57.2834 49.7860
+S   92.6927 57.2514 49.8078
+S   92.9131 57.2964 49.8826
+S   92.9155 57.2791 49.9992
+S   92.8626 57.2648 50.0580
+S   92.8295 57.3089 49.9993
+S   92.7332 57.4027 49.9088
+S   92.7073 57.4974 49.8112
+S   92.8183 57.5315 49.7531
+S   92.9517 57.4994 49.7681
+S   92.9448 57.3830 49.8182
+S   92.9648 57.3068 49.8420
+S   93.0627 57.2640 49.8520
+S   93.2013 57.2287 49.8426
+S   93.3656 57.1329 49.8039
+S   93.4843 56.9733 49.7788
+S   93.5901 56.6862 49.8184
+S   93.7541 56.3604 49.7858
+S   93.9362 56.1792 49.7053
+S   94.0801 56.0255 49.6698

4xe0_ligand_native_407/MCpath24.xyz ADDED Viewed

	@@ -0,0 +1,92 @@

+90
+90
+S   89.8361 57.8855 50.0181
+S   89.7910 57.9105 49.9739
+S   89.8291 57.9177 49.9091
+S   89.8989 57.8875 49.7805
+S   89.9099 57.8198 49.6195
+S   89.9830 57.7692 49.6490
+S   90.0187 57.7527 49.7646
+S   90.0300 57.7025 49.8377
+S   90.0689 57.7691 49.8264
+S   90.0166 57.7558 49.8532
+S   89.9516 57.7919 49.9378
+S   89.9550 57.8800 49.9916
+S   89.9823 57.9611 50.0286
+S   89.9505 58.0290 49.9515
+S   89.9182 57.9920 49.7802
+S   89.9838 57.9285 49.6225
+S   90.1167 57.9636 49.6448
+S   90.2703 57.9651 49.7555
+S   90.3248 57.9484 49.7647
+S   90.3900 57.9040 49.6613
+S   90.4096 58.0109 49.6478
+S   90.4717 58.0021 49.6708
+S   90.4299 57.9043 49.6646
+S   90.4094 57.7339 49.7411
+S   90.3350 57.6232 49.8160
+S   90.3693 57.6561 49.7444
+S   90.4287 57.6013 49.6772
+S   90.5491 57.4322 49.6822
+S   90.6077 57.4042 49.7094
+S   90.6275 57.4104 49.6551
+S   90.5537 57.2733 49.5068
+S   90.4402 57.3170 49.5878
+S   90.4454 57.3523 49.6644
+S   90.4861 57.3541 49.5438
+S   90.4536 57.3603 49.3991
+S   90.3516 57.3997 49.3736
+S   90.2971 57.4175 49.3865
+S   90.2504 57.4664 49.3831
+S   90.3227 57.4585 49.4152
+S   90.3776 57.4050 49.4464
+S   90.3736 57.3624 49.4219
+S   90.3874 57.3796 49.5240
+S   90.4748 57.3711 49.5905
+S   90.6044 57.3037 49.6245
+S   90.6935 57.2208 49.6612
+S   90.7477 57.0824 49.6497
+S   90.9043 56.9947 49.5981
+S   91.0153 56.8692 49.5750
+S   91.0598 56.8014 49.5955
+S   91.1475 56.7990 49.6485
+S   91.2622 56.6967 49.5963
+S   91.4263 56.5821 49.6698
+S   91.6627 56.4389 49.7794
+S   91.8711 56.2782 49.8409
+S   91.9987 56.2551 49.8373
+S   91.9993 56.3893 49.7571
+S   91.9962 56.5501 49.6689
+S   92.0198 56.6467 49.7086
+S   91.9941 56.7080 49.6774
+S   92.0466 56.7871 49.6280
+S   92.1282 56.8537 49.7080
+S   92.1689 56.8804 49.7802
+S   92.2091 56.8830 49.8952
+S   92.2806 56.9160 49.9480
+S   92.3900 56.8900 49.9438
+S   92.4164 56.8242 49.9711
+S   92.4248 56.7589 49.8904
+S   92.4209 56.6771 49.8646
+S   92.4156 56.6899 49.9312
+S   92.4752 56.6591 49.9093
+S   92.5306 56.5683 49.8632
+S   92.6016 56.5225 49.7425
+S   92.7774 56.5542 49.5962
+S   92.9886 56.5800 49.5565
+S   93.1059 56.5431 49.6908
+S   93.2323 56.5785 49.8429
+S   93.2414 56.6095 49.8784
+S   93.3087 56.6258 49.7890
+S   93.3186 56.6009 49.6892
+S   93.3167 56.5745 49.5635
+S   93.2651 56.5521 49.5889
+S   93.1521 56.5234 49.6082
+S   93.1121 56.4564 49.6089
+S   93.1306 56.4732 49.5006
+S   93.1756 56.4969 49.4322
+S   93.2122 56.4142 49.3811
+S   93.2804 56.2927 49.4294
+S   93.3692 56.2176 49.5311
+S   93.4964 56.1494 49.5702
+S   93.7624 56.0873 49.6232

4xe0_ligand_native_407/MCpath25.xyz ADDED Viewed

	@@ -0,0 +1,105 @@

+103
+103
+S   89.7336 58.0916 49.8358
+S   89.7639 58.0787 49.8739
+S   89.7774 58.0431 49.8976
+S   89.8378 58.0359 49.8609
+S   89.8482 57.9674 49.7566
+S   89.8918 57.9934 49.6873
+S   89.9388 58.0246 49.7602
+S   89.9867 58.0142 49.8298
+S   90.0180 57.9329 49.8416
+S   89.9300 57.8705 49.8847
+S   89.8938 57.8944 49.9373
+S   89.8909 57.8478 49.9329
+S   89.8468 57.8528 49.9644
+S   89.8931 57.8387 49.9450
+S   89.9709 57.8776 49.8627
+S   90.0276 57.8698 49.8331
+S   90.1951 57.7537 49.8453
+S   90.4187 57.7004 49.8434
+S   90.5084 57.6564 49.7689
+S   90.5460 57.6114 49.6709
+S   90.5604 57.4469 49.6489
+S   90.5932 57.2766 49.6209
+S   90.5692 57.2959 49.5642
+S   90.5535 57.3524 49.4383
+S   90.4799 57.4008 49.4028
+S   90.4072 57.4384 49.4213
+S   90.3774 57.4081 49.4706
+S   90.4638 57.2650 49.4768
+S   90.6402 57.2037 49.5475
+S   90.7623 57.2170 49.6301
+S   90.9316 57.2312 49.5012
+S   91.1914 57.3361 49.3938
+S   91.4527 57.4840 49.4124
+S   91.5414 57.5292 49.4675
+S   91.5316 57.4745 49.5344
+S   91.5510 57.4438 49.4476
+S   91.6003 57.3943 49.3540
+S   91.6590 57.2463 49.2776
+S   91.7979 57.1660 49.2154
+S   92.0283 57.2237 49.3190
+S   92.1959 57.3238 49.4312
+S   92.1365 57.3305 49.5077
+S   92.0842 57.4279 49.5945
+S   92.0114 57.5871 49.6005
+S   91.8501 57.5127 49.5962
+S   91.6712 57.4252 49.6852
+S   91.5746 57.4944 49.6650
+S   91.5218 57.5525 49.6576
+S   91.4401 57.4946 49.6510
+S   91.4061 57.3572 49.6530
+S   91.3762 57.3641 49.7078
+S   91.3517 57.5847 49.6999
+S   91.3393 57.7163 49.6321
+S   91.3082 57.7719 49.5877
+S   91.3250 57.8627 49.5634
+S   91.2867 57.9067 49.5669
+S   91.3571 57.7750 49.6106
+S   91.4589 57.6721 49.5639
+S   91.5068 57.5536 49.4932
+S   91.5075 57.4806 49.3993
+S   91.5005 57.4262 49.3680
+S   91.4796 57.3618 49.3598
+S   91.4473 57.2094 49.4530
+S   91.4816 57.2007 49.5589
+S   91.6478 57.2260 49.5449
+S   91.8608 57.1944 49.5143
+S   92.0848 57.1707 49.4978
+S   92.2687 57.0974 49.4198
+S   92.3620 57.1173 49.2782
+S   92.4763 57.2475 49.1991
+S   92.5508 57.2780 49.2538
+S   92.7253 57.3996 49.2441
+S   92.7582 57.4784 49.2173
+S   92.6946 57.5081 49.2885
+S   92.7471 57.4828 49.3008
+S   92.7335 57.4367 49.3427
+S   92.6968 57.4092 49.4873
+S   92.6487 57.4471 49.5954
+S   92.6782 57.5267 49.5703
+S   92.8026 57.4961 49.5608
+S   92.8588 57.4338 49.5008
+S   92.9259 57.3702 49.4733
+S   93.0150 57.2936 49.5252
+S   93.1512 57.2563 49.6003
+S   93.3378 57.3071 49.6800
+S   93.4588 57.2292 49.6976
+S   93.6706 57.2466 49.6000
+S   93.8109 57.2912 49.5373
+S   93.8022 57.2096 49.5101
+S   93.7448 57.1013 49.4872
+S   93.6955 57.0829 49.4501
+S   93.7329 57.0951 49.5090
+S   93.8613 57.1277 49.5942
+S   94.0518 57.2139 49.6797
+S   94.1927 57.2540 49.6374
+S   94.3777 57.2610 49.4763
+S   94.5857 57.2958 49.4612
+S   94.6725 57.3722 49.5725
+S   94.5871 57.4401 49.8129
+S   94.4741 57.5184 49.9886
+S   94.4935 57.6233 50.0839
+S   94.5575 57.6718 50.1815
+S   94.6935 57.7147 50.2443

4xe0_ligand_native_407/MCpath26.xyz ADDED Viewed

	@@ -0,0 +1,123 @@

+121
+121
+S   89.7369 58.0154 49.7234
+S   89.7262 58.0085 49.8361
+S   89.7148 58.0355 49.8910
+S   89.6163 58.0075 49.8082
+S   89.5981 57.9547 49.7292
+S   89.7174 57.9456 49.6309
+S   89.8457 57.9203 49.6348
+S   89.9692 57.8570 49.7141
+S   90.1184 57.9341 49.7417
+S   90.1654 58.0383 49.7028
+S   90.2733 58.0514 49.6715
+S   90.3288 58.0082 49.7586
+S   90.3627 57.9079 49.7809
+S   90.4095 57.8234 49.7297
+S   90.4970 57.7222 49.6940
+S   90.5429 57.5506 49.6623
+S   90.5219 57.4817 49.5599
+S   90.4934 57.4974 49.5298
+S   90.4517 57.4282 49.5033
+S   90.4287 57.4494 49.5752
+S   90.4303 57.4660 49.5878
+S   90.4556 57.4959 49.5314
+S   90.4843 57.4672 49.4743
+S   90.4814 57.3270 49.4730
+S   90.5645 57.3114 49.5891
+S   90.5848 57.2665 49.6788
+S   90.5667 57.1857 49.5905
+S   90.5255 57.2297 49.4874
+S   90.5235 57.2579 49.4674
+S   90.5134 57.2304 49.5328
+S   90.4707 57.3259 49.6431
+S   90.4183 57.4480 49.6868
+S   90.4381 57.6268 49.8200
+S   90.4167 57.7394 49.8902
+S   90.3191 57.6047 49.8903
+S   90.3125 57.5702 49.8588
+S   90.3829 57.5444 49.8131
+S   90.4271 57.3962 49.7473
+S   90.4600 57.3188 49.6037
+S   90.5618 57.3186 49.4655
+S   90.7209 57.3684 49.4554
+S   90.8613 57.4682 49.5365
+S   91.1617 57.3595 49.5635
+S   91.4280 57.3123 49.4119
+S   91.7772 57.4163 49.2426
+S   91.9263 57.6082 49.1914
+S   91.8685 57.7085 49.2063
+S   91.7565 57.6083 49.3781
+S   91.7579 57.4664 49.6067
+S   91.8154 57.3269 49.7069
+S   91.8642 57.1485 49.7566
+S   91.8970 57.0584 49.7685
+S   91.8099 56.8966 49.7344
+S   91.7382 56.8744 49.7678
+S   91.6063 56.8094 49.6125
+S   91.5470 56.6139 49.4234
+S   91.5391 56.3627 49.2424
+S   91.6027 56.1271 49.1576
+S   91.7192 55.9113 49.0810
+S   91.5890 55.7046 49.0103
+S   91.3763 55.5556 48.9632
+S   91.1121 55.3733 48.9433
+S   90.8786 55.2759 48.9056
+S   90.6798 55.3154 48.8425
+S   90.4806 55.3655 48.8820
+S   90.3414 55.4718 48.8847
+S   90.1917 55.5294 48.8034
+S   90.0753 55.4965 48.7669
+S   89.9993 55.5358 48.7850
+S   89.9486 55.6683 48.7211
+S   89.8488 55.6566 48.6738
+S   89.7971 55.6898 48.6247
+S   89.7534 55.6583 48.5263
+S   89.6684 55.5601 48.5075
+S   89.5855 55.5014 48.5170
+S   89.4704 55.4349 48.5090
+S   89.3800 55.3580 48.6550
+S   89.3762 55.3597 48.6754
+S   89.3063 55.3031 48.6557
+S   89.2108 55.2221 48.7766
+S   89.0773 55.1788 48.8268
+S   88.9526 55.1296 48.7553
+S   88.8720 55.0646 48.6636
+S   88.8066 55.0076 48.6565
+S   88.8206 54.9306 48.6161
+S   88.9547 54.8537 48.6273
+S   89.0753 54.6602 48.6628
+S   89.1132 54.5116 48.6284
+S   89.1767 54.3470 48.4922
+S   89.2242 54.0888 48.3491
+S   89.3278 53.8870 48.2634
+S   89.3868 53.6476 48.2389
+S   89.4112 53.3983 48.4158
+S   89.5183 53.1613 48.6299
+S   89.5914 53.0141 48.6605
+S   89.6250 53.0262 48.6457
+S   89.5511 53.0597 48.6248
+S   89.4508 53.1296 48.5883
+S   89.4543 53.2983 48.5148
+S   89.5098 53.4743 48.4314
+S   89.5941 53.5045 48.3865
+S   89.6220 53.4665 48.4474
+S   89.5576 53.4400 48.4380
+S   89.4254 53.3846 48.4345
+S   89.3754 53.3420 48.4801
+S   89.4704 53.3414 48.5060
+S   89.5886 53.4047 48.4386
+S   89.6737 53.3791 48.3657
+S   89.7840 53.3139 48.2928
+S   89.8840 53.2694 48.2965
+S   90.1737 53.2027 48.3100
+S   90.5399 53.1781 48.3493
+S   90.8509 53.1801 48.5331
+S   91.1383 53.2322 48.7250
+S   91.3304 53.3188 48.6982
+S   91.4496 53.2490 48.6453
+S   91.5099 53.1345 48.5551
+S   91.5506 53.0358 48.4872
+S   91.6155 52.9595 48.4728
+S   91.7088 52.9041 48.4193
+S   91.7286 52.7833 48.3768

4xe0_ligand_native_407/MCpath27.xyz ADDED Viewed

	@@ -0,0 +1,86 @@

+84
+84
+S   89.7091 57.9835 49.9327
+S   89.7270 58.0253 49.9744
+S   89.7266 58.0464 50.0044
+S   89.7048 58.0250 49.9745
+S   89.7709 58.0000 49.8717
+S   89.8231 57.9627 49.8780
+S   89.8911 57.8622 49.9850
+S   89.9131 57.8860 49.9920
+S   89.8977 57.9021 49.9210
+S   89.9063 57.9373 49.8805
+S   89.9483 57.9307 49.8772
+S   89.9691 57.9101 49.8708
+S   89.9637 57.9810 49.8099
+S   89.9315 58.0049 49.7437
+S   89.9018 57.9301 49.7333
+S   89.9409 57.8334 49.7752
+S   90.0341 57.8133 49.8742
+S   90.1165 57.6914 49.9146
+S   90.1632 57.5595 49.9409
+S   90.1885 57.4891 49.9300
+S   90.1346 57.5390 49.8929
+S   90.0511 57.5709 49.8549
+S   90.0851 57.6226 49.8104
+S   90.1284 57.6711 49.7472
+S   90.1033 57.6133 49.7124
+S   90.1916 57.5893 49.7716
+S   90.2988 57.6408 49.8056
+S   90.4355 57.5599 49.6699
+S   90.5812 57.4444 49.5678
+S   90.6735 57.3829 49.5493
+S   90.8266 57.4274 49.5078
+S   91.0596 57.4489 49.5399
+S   91.2561 57.4239 49.6240
+S   91.4440 57.3842 49.6925
+S   91.4935 57.4793 49.7533
+S   91.5534 57.5471 49.7249
+S   91.5129 57.5770 49.5700
+S   91.4684 57.5519 49.4955
+S   91.5071 57.5900 49.6087
+S   91.4656 57.6040 49.7249
+S   91.4526 57.5498 49.7911
+S   91.5358 57.5797 49.7171
+S   91.5865 57.6157 49.6449
+S   91.5531 57.5715 49.5766
+S   91.5732 57.6410 49.5364
+S   91.6146 57.6586 49.4901
+S   91.6275 57.5994 49.4809
+S   91.6688 57.4836 49.5009
+S   91.8249 57.3706 49.5114
+S   92.0056 57.2955 49.4877
+S   92.0255 57.2294 49.5165
+S   92.0220 57.2378 49.6256
+S   91.9219 57.2707 49.6695
+S   91.8422 57.4011 49.5283
+S   91.7804 57.4418 49.4027
+S   91.7922 57.4240 49.5402
+S   91.8401 57.4760 49.6925
+S   91.8330 57.5089 49.7236
+S   91.9025 57.5965 49.5905
+S   91.8962 57.6432 49.4260
+S   91.9814 57.5515 49.3635
+S   92.1280 57.3874 49.3645
+S   92.2665 57.1662 49.3045
+S   92.3787 57.0142 49.4017
+S   92.4550 56.8912 49.5407
+S   92.4373 56.6993 49.6264
+S   92.3627 56.4402 49.7532
+S   92.2424 56.1322 49.7194
+S   92.1491 55.8947 49.5403
+S   92.0587 55.7687 49.4148
+S   91.9810 55.7603 49.2934
+S   91.9014 55.7468 49.2869
+S   91.8556 55.6780 49.3331
+S   91.8280 55.6802 49.3803
+S   91.7631 55.6708 49.3525
+S   91.8249 55.6267 49.3210
+S   91.8504 55.6511 49.3485
+S   91.7806 55.6228 49.3605
+S   91.7861 55.5132 49.3329
+S   91.9407 55.4186 49.3416
+S   92.0518 55.4211 49.3240
+S   92.1789 55.4100 49.2801
+S   92.3844 55.2570 49.3225
+S   92.6088 55.0390 49.3874

4xe0_ligand_native_407/MCpath28.xyz ADDED Viewed

	@@ -0,0 +1,88 @@

+86
+86
+S   89.7155 57.8826 49.8441
+S   89.7422 57.9353 49.8304
+S   89.7901 57.9456 49.8074
+S   89.8667 57.9320 49.7580
+S   89.8991 57.9711 49.7944
+S   89.8983 57.9811 49.9344
+S   89.8398 57.9765 49.9783
+S   89.8311 57.9086 49.9067
+S   89.9233 57.7848 49.7990
+S   89.9985 57.7025 49.8174
+S   90.1231 57.6658 49.8213
+S   90.2752 57.5458 49.7920
+S   90.3464 57.4685 49.7655
+S   90.3493 57.5242 49.7537
+S   90.3233 57.6138 49.7885
+S   90.1940 57.6805 49.8229
+S   90.0411 57.7378 49.8156
+S   89.9954 57.7800 49.7887
+S   90.0067 57.7480 49.7391
+S   90.1695 57.7543 49.7418
+S   90.3519 57.8014 49.7080
+S   90.4827 57.7558 49.6371
+S   90.5236 57.5718 49.6746
+S   90.5943 57.4988 49.7039
+S   90.6827 57.5545 49.6993
+S   90.6907 57.5275 49.7571
+S   90.6604 57.5247 49.7129
+S   90.5672 57.5720 49.6338
+S   90.5341 57.5416 49.5753
+S   90.4885 57.5333 49.5847
+S   90.4524 57.4713 49.5555
+S   90.3609 57.4278 49.5537
+S   90.2700 57.4357 49.4798
+S   90.2613 57.5468 49.3631
+S   90.1678 57.5773 49.4095
+S   90.1132 57.4910 49.6149
+S   90.1679 57.4677 49.6888
+S   90.2971 57.5609 49.6315
+S   90.4242 57.5683 49.5163
+S   90.5562 57.5670 49.3881
+S   90.6326 57.4811 49.3916
+S   90.6626 57.3559 49.3489
+S   90.6888 57.2357 49.3933
+S   90.7776 57.0366 49.4375
+S   90.9080 56.9121 49.4861
+S   90.9782 56.8421 49.5573
+S   91.1326 56.8749 49.5426
+S   91.2488 56.8803 49.5911
+S   91.3140 56.8333 49.6091
+S   91.5292 56.6909 49.5184
+S   91.6757 56.6087 49.4811
+S   91.6976 56.5010 49.4868
+S   91.6730 56.3757 49.4662
+S   91.7834 56.3658 49.4655
+S   91.8206 56.4108 49.4813
+S   91.8717 56.5339 49.5159
+S   91.9880 56.6562 49.6370
+S   91.9922 56.8036 49.7347
+S   91.8534 56.9696 49.6961
+S   91.7126 57.0291 49.6695
+S   91.6162 56.9578 49.6408
+S   91.6150 56.7319 49.6620
+S   91.6378 56.5317 49.6850
+S   91.7552 56.3508 49.6376
+S   91.8351 56.2833 49.6401
+S   91.9744 56.3486 49.5794
+S   92.0823 56.5282 49.5255
+S   92.1888 56.7489 49.5110
+S   92.2070 56.9283 49.4849
+S   92.2524 56.9630 49.5375
+S   92.3479 56.9180 49.4903
+S   92.4005 56.8495 49.4140
+S   92.3306 56.7680 49.4237
+S   92.2578 56.6725 49.5022
+S   92.2527 56.6755 49.6748
+S   92.2153 56.7108 49.7734
+S   92.2570 56.9090 49.7446
+S   92.3249 57.0433 49.7344
+S   92.3651 57.0399 49.7855
+S   92.4654 56.9981 49.8556
+S   92.5457 56.9106 49.7552
+S   92.6239 56.7731 49.6028
+S   92.5651 56.5744 49.5511
+S   92.7056 56.3856 49.4986
+S   92.7830 56.2092 49.5137
+S   92.9049 56.0285 49.5013

4xe0_ligand_native_407/MCpath29.xyz ADDED Viewed

	@@ -0,0 +1,99 @@

+97
+97
+S   89.5894 57.9008 49.8782
+S   89.6146 57.9719 49.8720
+S   89.5858 58.0060 49.8377
+S   89.5498 58.0572 49.8443
+S   89.5925 58.1112 49.8242
+S   89.6143 58.0841 49.8191
+S   89.6835 58.0498 49.7610
+S   89.6766 57.9947 49.7636
+S   89.5916 57.9864 49.7439
+S   89.5689 57.9973 49.6972
+S   89.5705 57.9637 49.7500
+S   89.6040 57.9162 49.7587
+S   89.6937 57.9858 49.8041
+S   89.7722 57.9764 49.8390
+S   89.9191 57.9632 49.8859
+S   90.0019 57.9725 49.9310
+S   90.1549 57.9522 49.9543
+S   90.2038 57.8309 50.0301
+S   90.2459 57.7509 49.9753
+S   90.2796 57.6563 49.8600
+S   90.2414 57.5759 49.7837
+S   90.3476 57.5644 49.7764
+S   90.4284 57.4842 49.8246
+S   90.5005 57.4869 49.7664
+S   90.5661 57.4783 49.6250
+S   90.6600 57.4232 49.5613
+S   90.7493 57.3974 49.5899
+S   90.8090 57.3971 49.6264
+S   90.8006 57.4055 49.6744
+S   90.8195 57.4375 49.6474
+S   90.8618 57.4690 49.5493
+S   90.9340 57.4936 49.5327
+S   91.0107 57.6097 49.6024
+S   91.0368 57.5151 49.5653
+S   91.0956 57.4079 49.4815
+S   91.2162 57.3097 49.4735
+S   91.4497 57.2520 49.4626
+S   91.5643 57.2935 49.4880
+S   91.6963 57.2426 49.5499
+S   91.7565 57.1875 49.6283
+S   91.6909 57.3006 49.7812
+S   91.5443 57.3526 49.8836
+S   91.4090 57.3598 49.8336
+S   91.3126 57.3767 49.6486
+S   91.2885 57.4971 49.5375
+S   91.3028 57.5121 49.5502
+S   91.4050 57.4312 49.6157
+S   91.5197 57.3913 49.5927
+S   91.6005 57.4011 49.4642
+S   91.7078 57.4684 49.4503
+S   91.7690 57.4293 49.6084
+S   91.8913 57.3905 49.7685
+S   91.9732 57.3208 49.8105
+S   92.0476 57.2907 49.8641
+S   92.0553 57.1881 49.8058
+S   92.0095 57.1409 49.6895
+S   91.9729 57.1151 49.6381
+S   91.8309 57.1135 49.6032
+S   91.6853 57.1772 49.6537
+S   91.5448 57.2193 49.6752
+S   91.4996 57.3452 49.6983
+S   91.4943 57.4956 49.8283
+S   91.4679 57.5203 49.7930
+S   91.3555 57.5297 49.6226
+S   91.2735 57.5781 49.5763
+S   91.1882 57.6833 49.5925
+S   91.1428 57.7603 49.6315
+S   91.0113 57.7054 49.5725
+S   90.8855 57.5830 49.5069
+S   90.9137 57.4832 49.4642
+S   91.0842 57.4681 49.5315
+S   91.1645 57.4302 49.5788
+S   91.2524 57.4572 49.4644
+S   91.3751 57.4739 49.4262
+S   91.4095 57.4635 49.5263
+S   91.5548 57.4979 49.6284
+S   91.6931 57.5747 49.5302
+S   91.7364 57.6075 49.3399
+S   91.9778 57.5707 49.3546
+S   92.3352 57.4858 49.4443
+S   92.6748 57.3547 49.6007
+S   92.8175 57.3675 49.6837
+S   92.7526 57.3231 49.6568
+S   92.6806 57.2530 49.5969
+S   92.7743 57.2069 49.6471
+S   92.8929 57.1409 49.6671
+S   92.9547 57.1030 49.7595
+S   93.1087 57.1022 49.8610
+S   93.1756 57.0049 49.9158
+S   93.1167 56.8318 49.9753
+S   93.1342 56.6164 50.0541
+S   93.1419 56.4092 50.1744
+S   93.0759 56.2443 50.2840
+S   93.1273 56.2048 50.3951
+S   93.3440 56.1983 50.4945
+S   93.5443 56.1789 50.5745
+S   93.7796 56.0741 50.6533

4xe0_ligand_native_407/MCpath3.xyz ADDED Viewed

	@@ -0,0 +1,95 @@

+93
+93
+S   89.9388 57.8570 49.9492
+S   89.8982 57.9669 49.8715
+S   89.7976 58.0691 49.8889
+S   89.6545 58.0857 49.9108
+S   89.5576 58.0779 49.8483
+S   89.5551 58.0970 49.8106
+S   89.6727 58.0858 49.7279
+S   89.7711 58.1237 49.6792
+S   89.8663 58.1310 49.7236
+S   89.9318 58.0896 49.8189
+S   90.0135 58.0275 49.8359
+S   90.1270 58.0437 49.7023
+S   90.2467 58.0402 49.5426
+S   90.3409 57.9957 49.5450
+S   90.3052 57.9436 49.5697
+S   90.2411 57.9484 49.6103
+S   90.2117 58.0030 49.7136
+S   90.1915 57.9124 49.8214
+S   90.1823 57.7101 49.9608
+S   90.1692 57.6645 49.9833
+S   90.2695 57.7663 49.8883
+S   90.3301 57.8073 49.7657
+S   90.3675 57.6989 49.6437
+S   90.4907 57.6152 49.6497
+S   90.5396 57.6411 49.6631
+S   90.5870 57.5534 49.4944
+S   90.6853 57.5031 49.4284
+S   90.7846 57.5192 49.5137
+S   90.8599 57.4805 49.5094
+S   90.9588 57.5399 49.4054
+S   91.0715 57.5772 49.4172
+S   91.2592 57.5640 49.5152
+S   91.2977 57.5905 49.6022
+S   91.3151 57.6977 49.6171
+S   91.3282 57.6563 49.6840
+S   91.4849 57.5042 49.7889
+S   91.5703 57.3658 49.7535
+S   91.5989 57.3208 49.7183
+S   91.6634 57.3502 49.8003
+S   91.6190 57.3356 49.7061
+S   91.6294 57.3435 49.6584
+S   91.6653 57.3124 49.5604
+S   91.6784 57.3013 49.4819
+S   91.6635 57.2377 49.4867
+S   91.5962 57.2250 49.5269
+S   91.6487 57.2894 49.5902
+S   91.6284 57.1925 49.5866
+S   91.6406 57.1075 49.4974
+S   91.7233 57.1335 49.4318
+S   91.7620 57.1902 49.5181
+S   91.8722 57.2518 49.6816
+S   91.9349 57.2764 49.7003
+S   91.9332 57.4134 49.7849
+S   91.9361 57.5307 49.7411
+S   92.0477 57.6683 49.5848
+S   92.1503 57.6999 49.6433
+S   92.1856 57.6416 49.7872
+S   92.1353 57.6508 49.8261
+S   92.1728 57.6489 49.7512
+S   92.2812 57.5732 49.7557
+S   92.4744 57.5067 49.7455
+S   92.4747 57.4307 49.6845
+S   92.5361 57.4790 49.6291
+S   92.6821 57.5217 49.6049
+S   92.8396 57.4955 49.7192
+S   92.9425 57.5544 49.7595
+S   93.0267 57.6482 49.7440
+S   93.0991 57.7027 49.7167
+S   93.1475 57.7719 49.7057
+S   93.0706 57.7760 49.8183
+S   93.0130 57.6813 49.8656
+S   93.0680 57.5970 49.9002
+S   93.2217 57.5405 49.8579
+S   93.3034 57.3335 49.9157
+S   93.3250 57.2278 49.9947
+S   93.4044 57.2682 50.0326
+S   93.5680 57.2450 50.0742
+S   93.6906 57.2259 50.1661
+S   93.8000 57.1945 50.3374
+S   93.7818 57.1943 50.4286
+S   93.7518 57.2970 50.3982
+S   93.6586 57.4216 50.2922
+S   93.6471 57.4580 50.2817
+S   93.6768 57.3340 50.3329
+S   93.7795 57.2318 50.4537
+S   93.9560 57.1670 50.4996
+S   94.1388 57.0736 50.5209
+S   94.2972 56.9992 50.4391
+S   94.3781 56.8251 50.3423
+S   94.4501 56.6551 50.2706
+S   94.5375 56.5075 50.2184
+S   94.6020 56.3903 50.1826
+S   94.7070 56.1737 50.1688

4xe0_ligand_native_407/MCpath30.xyz ADDED Viewed

	@@ -0,0 +1,99 @@

+97
+97
+S   89.7950 57.8266 49.9946
+S   89.8561 57.8622 49.9630
+S   89.9195 57.9259 49.9450
+S   90.0123 57.9156 49.9152
+S   90.1221 57.9493 49.9162
+S   90.1281 57.9813 49.9964
+S   90.0951 57.9871 50.0878
+S   90.0806 57.9696 50.1009
+S   90.0305 57.9112 50.1436
+S   90.0234 57.8769 50.1107
+S   90.0076 57.8018 50.1025
+S   89.9434 57.8096 50.0930
+S   89.9777 57.8065 50.0450
+S   90.0677 57.7809 50.0115
+S   90.1542 57.7551 49.9465
+S   90.2461 57.7032 49.8639
+S   90.2510 57.6155 49.7567
+S   90.2881 57.6477 49.7022
+S   90.2456 57.6527 49.6327
+S   90.1906 57.7591 49.6202
+S   90.2925 57.8916 49.5890
+S   90.3160 57.9172 49.5675
+S   90.2729 57.7955 49.6032
+S   90.2804 57.6679 49.6258
+S   90.3178 57.5685 49.6341
+S   90.3007 57.4428 49.5664
+S   90.3016 57.3609 49.4847
+S   90.4956 57.3000 49.4279
+S   90.7816 57.3177 49.3849
+S   91.0354 57.3526 49.3935
+S   91.2240 57.3965 49.3902
+S   91.3100 57.4834 49.4545
+S   91.3248 57.5448 49.5321
+S   91.3307 57.5373 49.6700
+S   91.3249 57.6112 49.7206
+S   91.2281 57.6085 49.7457
+S   91.1927 57.5333 49.7247
+S   91.1466 57.5644 49.6864
+S   91.1379 57.5497 49.6677
+S   91.3032 57.5399 49.6212
+S   91.4219 57.5752 49.5416
+S   91.4760 57.4516 49.4831
+S   91.5059 57.3384 49.4275
+S   91.5789 57.3253 49.3259
+S   91.7389 57.4521 49.3304
+S   91.9427 57.5649 49.4508
+S   91.9756 57.6397 49.5597
+S   91.7825 57.5542 49.5947
+S   91.7302 57.5449 49.6119
+S   91.8104 57.6752 49.6766
+S   91.8653 57.7183 49.8275
+S   91.8725 57.8142 49.8591
+S   91.9425 57.9658 49.8660
+S   91.9318 57.8946 49.8778
+S   91.9799 57.8402 49.8238
+S   92.0668 57.7640 49.8079
+S   92.2051 57.7403 49.7310
+S   92.2892 57.7160 49.7503
+S   92.3508 57.6339 49.8382
+S   92.3990 57.5726 49.8169
+S   92.4702 57.5532 49.7886
+S   92.5511 57.5078 49.7732
+S   92.6111 57.4594 49.8235
+S   92.7444 57.5081 49.7938
+S   92.7460 57.4631 49.7179
+S   92.7504 57.4585 49.5974
+S   92.7367 57.5366 49.6337
+S   92.7169 57.5452 49.6770
+S   92.6196 57.4829 49.7693
+S   92.5943 57.4165 49.8024
+S   92.6728 57.3666 49.7078
+S   92.7022 57.2314 49.5716
+S   92.6486 57.1951 49.4544
+S   92.6286 57.2271 49.4433
+S   92.7114 57.2968 49.4833
+S   92.7919 57.3152 49.6314
+S   92.9093 57.2672 49.7178
+S   93.1493 57.3721 49.7890
+S   93.3149 57.4265 49.7994
+S   93.4347 57.4195 49.7728
+S   93.5993 57.3615 49.7737
+S   93.7716 57.2412 49.7401
+S   93.8261 57.1957 49.7145
+S   93.9559 57.2235 49.7093
+S   93.9768 57.2851 49.7513
+S   94.0052 57.2520 49.8163
+S   94.0797 57.2334 49.8240
+S   94.2175 57.2744 49.8177
+S   94.3211 57.3539 49.8223
+S   94.5016 57.4465 49.7688
+S   94.6253 57.3773 49.8055
+S   94.6743 57.3008 49.8177
+S   94.7197 57.2521 49.8120
+S   94.7498 57.1737 49.7789
+S   94.6737 57.0609 49.7819
+S   94.6759 56.8359 49.7582
+S   94.7471 56.7560 49.8002

4xe0_ligand_native_407/MCpath31.xyz ADDED Viewed

	@@ -0,0 +1,87 @@

+85
+85
+S   89.7939 57.7671 49.9722
+S   89.8096 57.7776 49.9710
+S   89.8472 57.7751 49.9958
+S   89.8867 57.8096 49.9820
+S   89.8795 57.7607 49.9407
+S   89.8245 57.7332 49.9804
+S   89.8531 57.7530 50.0106
+S   89.9865 57.7951 49.9620
+S   90.0690 57.7676 49.9329
+S   90.0013 57.6769 49.8647
+S   89.9789 57.6604 49.8745
+S   89.9659 57.6663 49.8566
+S   90.0454 57.6784 49.8298
+S   90.1999 57.7090 49.7740
+S   90.3341 57.7750 49.7417
+S   90.3406 57.7428 49.8256
+S   90.2828 57.6752 49.8385
+S   90.3153 57.6980 49.8132
+S   90.3773 57.7448 49.7810
+S   90.4896 57.7592 49.8473
+S   90.5776 57.7310 49.9055
+S   90.4808 57.6177 49.8293
+S   90.4985 57.6188 49.6995
+S   90.6074 57.6448 49.6946
+S   90.6501 57.5524 49.5760
+S   90.7545 57.5095 49.4899
+S   90.8971 57.5333 49.5290
+S   90.9638 57.5472 49.5282
+S   90.9901 57.5990 49.4707
+S   90.8764 57.5133 49.4761
+S   90.9433 57.3512 49.5135
+S   90.9832 57.3498 49.6400
+S   91.0456 57.4349 49.6542
+S   90.9947 57.5073 49.5711
+S   90.9906 57.5600 49.5414
+S   91.1555 57.5473 49.6084
+S   91.1823 57.4503 49.5112
+S   91.1807 57.4359 49.4054
+S   91.3137 57.4693 49.4808
+S   91.3881 57.5211 49.5166
+S   91.4424 57.4959 49.4068
+S   91.6429 57.4349 49.4246
+S   91.8490 57.3947 49.4773
+S   91.9515 57.4241 49.5472
+S   92.0003 57.3687 49.6583
+S   92.1190 57.4450 49.6795
+S   92.3546 57.4930 49.6674
+S   92.6119 57.4429 49.6679
+S   92.7184 57.3710 49.7413
+S   92.7022 57.3264 49.8880
+S   92.7214 57.2866 49.8974
+S   92.7189 57.2304 49.8170
+S   92.7062 57.2971 49.7530
+S   92.6356 57.3785 49.7186
+S   92.6357 57.5016 49.7515
+S   92.6791 57.5228 49.6404
+S   92.7465 57.6021 49.5639
+S   92.7696 57.5974 49.6009
+S   92.7646 57.5583 49.6484
+S   92.7633 57.5426 49.6709
+S   92.7282 57.5952 49.7325
+S   92.6914 57.6674 49.8082
+S   92.6509 57.7721 49.8226
+S   92.6145 57.8468 49.7669
+S   92.6523 57.8956 49.7607
+S   92.6975 57.9221 49.7755
+S   92.7180 57.9248 49.7941
+S   92.7291 57.8592 49.8742
+S   92.8698 57.8095 49.9085
+S   93.1243 57.6239 49.8669
+S   93.4001 57.4875 49.8793
+S   93.6718 57.4436 49.8747
+S   93.9041 57.4082 49.9156
+S   94.0341 57.3668 49.9818
+S   94.1391 57.4123 50.0591
+S   94.3182 57.4580 50.0515
+S   94.4484 57.4966 50.0399
+S   94.5762 57.4438 50.0315
+S   94.7317 57.2910 50.0385
+S   94.7272 57.1759 49.9608
+S   94.6407 57.1611 49.8828
+S   94.6608 57.0933 49.8628
+S   94.7145 56.8918 49.7987
+S   94.6694 56.7312 49.6788
+S   94.7312 56.5934 49.6115

4xe0_ligand_native_407/MCpath32.xyz ADDED Viewed

	@@ -0,0 +1,82 @@

+80
+80
+S   89.8549 58.0236 49.9137
+S   89.9129 57.9573 49.9788
+S   89.9990 57.8683 50.0771
+S   90.0326 57.8783 50.0495
+S   90.0100 57.9280 49.9840
+S   89.9557 57.9233 49.9494
+S   89.9740 57.9615 49.9440
+S   90.0332 58.0733 49.8763
+S   90.1339 58.1511 49.7925
+S   90.1733 58.1449 49.7590
+S   90.1513 58.1302 49.8294
+S   90.0820 58.1809 49.8869
+S   89.9132 58.2885 49.8215
+S   89.8099 58.3744 49.8052
+S   89.8925 58.3550 49.8825
+S   89.9734 58.2810 49.9852
+S   90.0904 58.3422 50.0506
+S   90.2079 58.3704 49.9370
+S   90.2581 58.3213 49.7869
+S   90.2670 58.2444 49.7305
+S   90.2030 58.2825 49.7023
+S   90.1845 58.2656 49.7349
+S   90.0971 58.1824 49.6599
+S   90.0559 58.2509 49.6339
+S   90.0329 58.3222 49.7532
+S   90.0176 58.3851 49.8282
+S   90.0274 58.3982 49.6800
+S   90.0042 58.3661 49.6115
+S   90.1068 58.2742 49.6639
+S   90.1965 58.1853 49.7388
+S   90.3220 58.1804 49.6781
+S   90.3740 58.1658 49.5297
+S   90.4340 58.1352 49.5073
+S   90.5497 58.1182 49.5376
+S   90.6497 58.1400 49.5462
+S   90.7290 58.1317 49.5488
+S   90.8498 58.0121 49.6577
+S   90.9495 57.9002 49.7687
+S   91.0681 57.9045 49.7612
+S   91.1758 57.8181 49.6909
+S   91.3605 57.6877 49.6431
+S   91.5289 57.5810 49.5805
+S   91.6932 57.5091 49.6109
+S   91.8344 57.4877 49.7250
+S   91.8297 57.4940 49.7907
+S   91.7931 57.5442 49.8479
+S   91.7563 57.5343 49.7895
+S   91.7941 57.4426 49.7419
+S   91.9088 57.4199 49.7142
+S   92.0845 57.5040 49.6625
+S   92.2359 57.5062 49.6106
+S   92.3508 57.4884 49.5915
+S   92.4178 57.4735 49.6594
+S   92.5180 57.4787 49.7383
+S   92.6424 57.5052 49.7193
+S   92.6475 57.4197 49.6123
+S   92.7341 57.4433 49.5916
+S   92.8174 57.5106 49.6040
+S   92.8013 57.4315 49.6781
+S   92.7135 57.4126 49.7189
+S   92.6862 57.4602 49.6637
+S   92.6436 57.4508 49.6049
+S   92.5864 57.4670 49.5850
+S   92.5542 57.5167 49.6249
+S   92.6620 57.5158 49.6519
+S   92.7346 57.3654 49.6747
+S   92.8044 57.2620 49.7527
+S   93.0028 57.2141 49.7562
+S   93.2057 57.0567 49.8428
+S   93.4039 56.8992 49.8835
+S   93.5792 56.7978 49.8514
+S   93.7906 56.7124 49.8870
+S   93.8152 56.5945 49.9410
+S   93.8619 56.5325 49.9217
+S   93.9388 56.5658 49.7967
+S   94.0494 56.5315 49.7156
+S   94.2118 56.4061 49.6940
+S   94.4279 56.2575 49.7238
+S   94.6501 56.2001 49.6336
+S   94.9271 56.1855 49.5736

4xe0_ligand_native_407/MCpath33.xyz ADDED Viewed

	@@ -0,0 +1,81 @@

+79
+79
+S   89.7713 57.8002 49.9451
+S   89.7738 57.8387 49.9699
+S   89.8202 57.7795 49.9916
+S   89.8435 57.7742 49.9445
+S   89.8912 57.8094 49.8146
+S   90.0602 57.8098 49.8345
+S   90.1282 57.8058 49.8415
+S   90.1261 57.7147 49.8205
+S   90.1488 57.6376 49.8339
+S   90.1643 57.6173 49.8690
+S   90.1516 57.6884 49.8894
+S   90.1084 57.6991 49.8791
+S   90.0385 57.6775 49.9015
+S   90.0219 57.7430 49.9322
+S   90.0451 57.7739 49.9171
+S   90.1638 57.6899 49.7955
+S   90.3900 57.6584 49.6766
+S   90.5201 57.6814 49.6453
+S   90.4950 57.7256 49.6341
+S   90.3845 57.7402 49.5868
+S   90.2782 57.6999 49.5625
+S   90.2312 57.6162 49.6142
+S   90.1903 57.5995 49.7730
+S   90.1564 57.6266 49.8095
+S   90.1809 57.6575 49.6993
+S   90.3042 57.6124 49.6156
+S   90.3890 57.5691 49.6858
+S   90.4372 57.5229 49.7611
+S   90.4425 57.5150 49.7140
+S   90.5208 57.5449 49.6087
+S   90.5703 57.5673 49.5620
+S   90.5153 57.5979 49.5951
+S   90.4691 57.6657 49.6288
+S   90.4715 57.6543 49.6239
+S   90.4380 57.5708 49.6481
+S   90.4565 57.5152 49.6931
+S   90.5603 57.4936 49.6613
+S   90.6688 57.5312 49.6311
+S   90.7503 57.5221 49.5203
+S   90.8310 57.5774 49.5223
+S   91.0357 57.6049 49.5916
+S   91.2265 57.5650 49.6590
+S   91.3122 57.5366 49.6974
+S   91.3661 57.4800 49.6481
+S   91.4723 57.3715 49.5686
+S   91.6944 57.4253 49.5904
+S   91.8118 57.5189 49.6240
+S   91.7737 57.5395 49.6373
+S   91.7230 57.6104 49.7470
+S   91.6862 57.6087 49.7482
+S   91.6546 57.5069 49.6437
+S   91.6880 57.3898 49.5564
+S   91.7837 57.3324 49.4975
+S   91.8116 57.2828 49.5168
+S   91.7661 57.3036 49.5462
+S   91.7237 57.4177 49.6432
+S   91.7080 57.5543 49.6078
+S   91.6955 57.5075 49.5099
+S   91.7632 57.4096 49.4980
+S   91.8712 57.3249 49.4795
+S   91.9324 57.2786 49.5236
+S   92.1708 57.2818 49.5078
+S   92.3990 57.2553 49.4548
+S   92.5205 57.3292 49.4348
+S   92.6064 57.3290 49.5791
+S   92.6851 57.2541 49.7625
+S   92.7008 57.3175 49.7757
+S   92.6446 57.3829 49.6886
+S   92.5800 57.3568 49.5461
+S   92.6065 57.2086 49.4837
+S   92.7142 57.0592 49.4994
+S   92.8217 56.9707 49.5718
+S   92.7681 56.9281 49.5586
+S   92.6740 56.8978 49.6476
+S   92.5749 56.8050 49.6185
+S   92.5085 56.6276 49.6100
+S   92.5445 56.3270 49.6614
+S   92.6551 56.0577 49.6825
+S   92.7862 55.9894 49.6218

4xe0_ligand_native_407/MCpath34.xyz ADDED Viewed

	@@ -0,0 +1,130 @@

+128
+128
+S   89.7448 57.9930 49.8930
+S   89.7397 58.0252 49.8801
+S   89.7424 58.0635 49.8830
+S   89.7177 58.0840 49.8734
+S   89.6372 58.0378 49.8933
+S   89.4992 58.0333 49.9931
+S   89.4716 58.0672 49.9722
+S   89.5118 58.1212 49.9066
+S   89.4445 58.1312 49.7975
+S   89.4980 58.1906 49.6160
+S   89.5799 58.2147 49.5390
+S   89.5727 58.1825 49.5608
+S   89.4866 58.0867 49.5789
+S   89.4966 58.1371 49.6573
+S   89.5533 58.2245 49.6786
+S   89.5645 58.2451 49.6810
+S   89.5876 58.2179 49.6699
+S   89.6371 58.1971 49.7245
+S   89.6920 58.3440 49.8456
+S   89.6138 58.4447 49.8745
+S   89.6178 58.5245 49.8593
+S   89.7066 58.5914 49.8296
+S   89.6707 58.5694 49.7012
+S   89.5948 58.5397 49.6260
+S   89.5587 58.5552 49.5485
+S   89.5184 58.6240 49.4490
+S   89.5957 58.7461 49.4623
+S   89.6668 58.7209 49.5529
+S   89.7134 58.6805 49.6234
+S   89.7081 58.6131 49.6784
+S   89.6387 58.4931 49.7053
+S   89.6357 58.4204 49.8653
+S   89.6577 58.3150 49.9579
+S   89.6708 58.2714 49.9102
+S   89.6668 58.3044 49.7556
+S   89.6568 58.2278 49.6923
+S   89.6114 58.2211 49.6565
+S   89.5939 58.3042 49.5946
+S   89.5611 58.3124 49.5671
+S   89.5687 58.3459 49.5842
+S   89.5016 58.5045 49.5387
+S   89.4614 58.6299 49.6035
+S   89.4364 58.7072 49.6960
+S   89.4779 58.8129 49.7180
+S   89.5245 58.7465 49.6816
+S   89.5906 58.6426 49.7709
+S   89.5857 58.5412 49.8416
+S   89.6317 58.5076 49.7873
+S   89.6391 58.4802 49.7960
+S   89.6154 58.5571 49.8293
+S   89.6439 58.6567 49.7112
+S   89.6546 58.6710 49.6918
+S   89.7293 58.6124 49.7609
+S   89.9934 58.5076 49.8211
+S   90.4437 58.3208 49.8808
+S   90.9284 58.1432 49.8768
+S   91.3285 57.9007 49.8531
+S   91.5460 57.6494 49.7949
+S   91.5418 57.5249 49.8364
+S   91.3311 57.3927 49.7242
+S   91.2975 57.3279 49.6547
+S   91.3898 57.3862 49.6216
+S   91.5970 57.3954 49.5584
+S   91.6865 57.3927 49.5373
+S   91.6945 57.4040 49.5738
+S   91.6582 57.3062 49.5512
+S   91.6975 57.2246 49.4199
+S   91.7616 57.2494 49.3395
+S   91.7271 57.2144 49.4538
+S   91.5980 57.2011 49.5696
+S   91.5158 57.2024 49.5701
+S   91.5310 57.3000 49.5347
+S   91.5193 57.4248 49.6464
+S   91.4648 57.4370 49.7142
+S   91.4107 57.5413 49.6985
+S   91.4174 57.6447 49.6399
+S   91.4027 57.6370 49.6317
+S   91.3709 57.5715 49.6317
+S   91.4085 57.5176 49.6058
+S   91.4399 57.5077 49.5547
+S   91.5275 57.5551 49.4685
+S   91.5887 57.4742 49.3717
+S   91.6136 57.4376 49.3221
+S   91.7431 57.3286 49.2293
+S   91.8860 57.2806 49.2556
+S   92.0773 57.3439 49.3625
+S   92.2668 57.3417 49.4454
+S   92.3828 57.3949 49.5528
+S   92.4724 57.4196 49.6159
+S   92.5807 57.4532 49.4799
+S   92.6647 57.4005 49.2980
+S   92.7349 57.2332 49.3112
+S   92.7392 57.1069 49.4741
+S   92.7563 57.1659 49.6454
+S   92.7725 57.2636 49.7021
+S   92.8093 57.4254 49.6581
+S   92.7781 57.4963 49.6045
+S   92.7633 57.5128 49.6779
+S   92.7803 57.6199 49.7017
+S   92.8536 57.6647 49.6098
+S   92.8272 57.5786 49.5869
+S   92.7616 57.4571 49.6053
+S   92.6876 57.3998 49.6794
+S   92.7117 57.3907 49.8270
+S   92.7782 57.4136 49.8891
+S   92.8489 57.5118 49.9141
+S   92.9534 57.5674 49.9469
+S   93.0680 57.5241 49.9326
+S   93.2306 57.4868 49.8083
+S   93.3839 57.4117 49.7957
+S   93.5958 57.3059 49.9240
+S   93.7491 57.1585 50.0521
+S   93.8281 57.1915 50.1575
+S   93.9236 57.3607 50.1416
+S   93.9492 57.4376 50.1740
+S   93.9946 57.3904 50.2906
+S   94.0028 57.3239 50.3386
+S   94.0607 57.2547 50.3201
+S   94.2200 57.2647 50.3445
+S   94.3421 57.2785 50.3810
+S   94.4184 57.2467 50.4190
+S   94.4457 57.1990 50.5069
+S   94.3720 57.1560 50.5573
+S   94.3846 57.1786 50.5564
+S   94.4342 57.2553 50.4748
+S   94.4780 57.2640 50.4816
+S   94.5847 57.2733 50.4162
+S   94.7685 57.2647 50.3991

4xe0_ligand_native_407/MCpath35.xyz ADDED Viewed

	@@ -0,0 +1,109 @@

+107
+107
+S   89.9464 57.8028 49.8548
+S   90.0128 57.8512 49.8202
+S   90.0279 57.8921 49.8212
+S   89.9639 57.8830 49.8435
+S   89.9416 57.9265 49.8701
+S   89.9863 57.9937 49.8399
+S   90.0831 57.9711 49.7812
+S   90.0858 57.8773 49.8151
+S   90.0312 57.8235 49.8525
+S   90.0175 57.7511 49.8361
+S   90.1383 57.6373 49.7310
+S   90.2965 57.4929 49.6038
+S   90.4053 57.5025 49.5383
+S   90.4516 57.6301 49.4837
+S   90.4445 57.7096 49.5827
+S   90.4080 57.7021 49.6346
+S   90.3733 57.6440 49.7155
+S   90.3430 57.6335 49.7396
+S   90.3864 57.6176 49.6566
+S   90.3494 57.5638 49.5213
+S   90.4167 57.5220 49.3594
+S   90.5148 57.4500 49.2933
+S   90.5364 57.5221 49.3418
+S   90.4779 57.5928 49.3755
+S   90.4350 57.6191 49.3996
+S   90.3785 57.6530 49.4928
+S   90.4077 57.7456 49.6410
+S   90.4146 57.7595 49.7094
+S   90.4232 57.6912 49.6450
+S   90.4828 57.6984 49.6041
+S   90.5205 57.6047 49.5767
+S   90.4976 57.5136 49.5128
+S   90.3972 57.4694 49.4791
+S   90.3190 57.4596 49.5076
+S   90.4014 57.3967 49.6700
+S   90.5154 57.3869 49.7450
+S   90.5335 57.3529 49.7444
+S   90.5656 57.4313 49.6511
+S   90.6192 57.5414 49.5346
+S   90.6128 57.5217 49.5559
+S   90.5367 57.4220 49.5505
+S   90.5402 57.2566 49.5397
+S   90.6410 57.2881 49.5287
+S   90.7154 57.4380 49.3967
+S   90.5963 57.4975 49.3296
+S   90.5278 57.5443 49.3454
+S   90.4264 57.6508 49.4269
+S   90.4990 57.7102 49.3903
+S   90.5827 57.6930 49.3653
+S   90.7306 57.7243 49.4973
+S   90.9238 57.7354 49.5535
+S   91.1829 57.7639 49.5981
+S   91.4268 57.6612 49.6660
+S   91.6309 57.5086 49.6874
+S   91.7711 57.4855 49.5490
+S   91.7620 57.3546 49.4969
+S   91.7266 57.2904 49.6063
+S   91.7471 57.2991 49.6743
+S   91.8036 57.3438 49.5895
+S   91.8116 57.2806 49.5257
+S   91.8124 57.2137 49.5942
+S   91.8379 57.1869 49.6795
+S   91.8869 57.1832 49.6897
+S   91.9652 57.2356 49.6086
+S   92.0517 57.2473 49.5166
+S   92.0822 57.2908 49.4068
+S   92.1073 57.2024 49.4461
+S   92.1115 57.1071 49.5361
+S   92.1247 57.1357 49.6077
+S   92.1106 57.0944 49.6623
+S   92.2435 57.1342 49.7416
+S   92.4506 57.1397 49.6603
+S   92.5880 57.2206 49.5522
+S   92.6051 57.1946 49.4222
+S   92.6709 57.1960 49.3637
+S   92.7866 57.2824 49.3603
+S   92.7388 57.2973 49.3069
+S   92.6730 57.2181 49.3245
+S   92.6950 57.2129 49.3288
+S   92.7984 57.3454 49.3492
+S   92.8761 57.4994 49.5101
+S   92.9485 57.5592 49.5443
+S   92.9673 57.4984 49.5830
+S   93.0871 57.3826 49.7304
+S   93.0408 57.3513 49.8197
+S   93.0388 57.3576 49.7849
+S   93.1079 57.3384 49.7190
+S   93.2103 57.3873 49.6410
+S   93.2901 57.4164 49.6409
+S   93.4894 57.4540 49.6731
+S   93.7594 57.4763 49.6747
+S   93.9965 57.4724 49.6563
+S   94.0279 57.4836 49.6924
+S   94.0053 57.4905 49.7504
+S   94.0373 57.5484 49.8291
+S   94.0629 57.5445 49.9674
+S   94.1095 57.5521 50.0629
+S   94.2434 57.6318 50.1460
+S   94.3098 57.6411 50.2732
+S   94.3250 57.5566 50.3657
+S   94.3858 57.5359 50.3894
+S   94.4535 57.4734 50.4645
+S   94.5603 57.4614 50.4445
+S   94.5444 57.4512 50.4678
+S   94.5472 57.4928 50.4838
+S   94.5782 57.5443 50.5303
+S   94.7313 57.6089 50.5576

4xe0_ligand_native_407/MCpath36.xyz ADDED Viewed

	@@ -0,0 +1,108 @@

+106
+106
+S   89.6766 58.0421 49.9485
+S   89.7088 58.0418 49.9631
+S   89.6954 58.0543 49.9835
+S   89.5996 58.1743 49.9771
+S   89.5774 58.1797 49.9455
+S   89.5737 58.1968 49.8901
+S   89.5226 58.2400 49.8150
+S   89.5302 58.2755 49.7837
+S   89.5493 58.3200 49.7918
+S   89.5096 58.3943 49.8540
+S   89.4863 58.4388 49.9003
+S   89.6006 58.5219 49.9297
+S   89.6716 58.4586 49.9180
+S   89.7787 58.3370 49.9168
+S   89.8822 58.2580 49.9018
+S   90.0250 58.1970 49.8934
+S   90.2443 58.1120 49.8994
+S   90.4010 58.0824 49.9317
+S   90.4329 58.0842 49.9910
+S   90.3948 57.9727 49.9324
+S   90.4213 57.8739 49.7338
+S   90.4647 57.7320 49.5838
+S   90.4422 57.6268 49.5899
+S   90.4660 57.5647 49.6117
+S   90.4125 57.5367 49.6592
+S   90.4039 57.5266 49.6718
+S   90.3725 57.4976 49.6763
+S   90.3592 57.5569 49.7676
+S   90.3876 57.5682 49.7695
+S   90.3531 57.5459 49.7462
+S   90.2532 57.5842 49.6967
+S   90.1530 57.5952 49.6842
+S   90.0857 57.5245 49.6667
+S   90.1823 57.5816 49.6372
+S   90.2899 57.6367 49.6183
+S   90.4067 57.5736 49.6117
+S   90.5090 57.4432 49.6053
+S   90.5741 57.2749 49.4864
+S   90.6245 57.1538 49.4415
+S   90.6943 57.0699 49.4184
+S   90.7301 56.9137 49.3337
+S   90.8930 56.7766 49.3174
+S   91.0078 56.7364 49.4275
+S   91.0860 56.7018 49.5428
+S   91.1257 56.6348 49.7042
+S   91.2473 56.5822 49.7227
+S   91.3871 56.5930 49.5869
+S   91.4644 56.6323 49.4504
+S   91.4527 56.6182 49.3829
+S   91.3997 56.6540 49.3848
+S   91.4483 56.7848 49.4991
+S   91.4912 56.8918 49.5404
+S   91.5913 56.9807 49.5560
+S   91.6365 57.0083 49.5166
+S   91.5420 56.9546 49.4329
+S   91.5799 56.9359 49.4845
+S   91.5878 56.8735 49.5208
+S   91.6349 56.7430 49.4739
+S   91.6908 56.6196 49.3872
+S   91.6679 56.5228 49.3347
+S   91.6392 56.4770 49.2915
+S   91.6370 56.3596 49.3465
+S   91.7435 56.2295 49.4578
+S   91.8698 56.2137 49.4416
+S   92.1083 56.2564 49.4130
+S   92.2426 56.3844 49.4540
+S   92.2933 56.5027 49.4968
+S   92.2933 56.5688 49.4485
+S   92.3457 56.6713 49.3538
+S   92.3655 56.8086 49.4705
+S   92.3383 56.8404 49.5376
+S   92.3857 56.7480 49.5489
+S   92.4986 56.7196 49.5356
+S   92.5423 56.6031 49.5226
+S   92.6056 56.5309 49.4305
+S   92.6212 56.5239 49.3441
+S   92.6578 56.4870 49.3695
+S   92.7315 56.5218 49.4701
+S   92.6914 56.6079 49.5212
+S   92.6374 56.6642 49.4772
+S   92.5947 56.7250 49.4217
+S   92.5039 56.8036 49.3731
+S   92.4643 56.8438 49.3594
+S   92.5261 56.8665 49.4066
+S   92.5982 56.8360 49.4568
+S   92.6093 56.7449 49.5021
+S   92.6246 56.6815 49.6286
+S   92.6868 56.6160 49.7549
+S   92.7037 56.6374 49.6991
+S   92.6788 56.5764 49.5550
+S   92.7046 56.4709 49.4760
+S   92.8432 56.4930 49.3374
+S   93.1077 56.5779 49.2831
+S   93.3219 56.5832 49.3428
+S   93.5338 56.5424 49.4367
+S   93.8116 56.4746 49.4560
+S   93.9120 56.4904 49.4486
+S   93.9354 56.4519 49.4247
+S   94.0331 56.4151 49.4272
+S   94.1665 56.3855 49.3595
+S   94.2068 56.4474 49.4144
+S   94.2823 56.4711 49.6068
+S   94.3577 56.3934 49.6711
+S   94.4491 56.2866 49.6982
+S   94.5683 56.1446 49.7345
+S   94.6731 55.9830 49.6782

4xe0_ligand_native_407/MCpath37.xyz ADDED Viewed

	@@ -0,0 +1,91 @@

+89
+89
+S   89.7069 58.0032 49.8609
+S   89.6953 57.9903 49.8795
+S   89.7438 57.9334 49.9204
+S   89.7744 57.8730 49.9668
+S   89.7816 57.9167 49.9071
+S   89.8255 57.9143 49.8289
+S   89.8396 57.8831 49.7676
+S   89.8347 57.9821 49.6995
+S   89.8413 57.9501 49.6265
+S   89.8085 57.9366 49.6691
+S   89.8149 57.9458 49.5897
+S   89.8998 57.9271 49.5826
+S   89.9370 57.8884 49.6011
+S   90.0072 57.8373 49.6064
+S   90.1368 57.8968 49.5476
+S   90.2172 57.9133 49.5027
+S   90.2408 57.8618 49.5998
+S   90.3144 57.7157 49.7117
+S   90.3362 57.6006 49.7886
+S   90.3521 57.5465 49.7857
+S   90.3661 57.4917 49.7545
+S   90.3740 57.5393 49.7252
+S   90.3518 57.6055 49.6284
+S   90.3607 57.7175 49.5945
+S   90.3550 57.7937 49.5789
+S   90.4110 57.8047 49.4983
+S   90.4535 57.7335 49.5480
+S   90.6178 57.6734 49.6049
+S   90.7504 57.6352 49.7412
+S   90.9028 57.6158 49.8024
+S   91.0537 57.6062 49.8669
+S   91.1607 57.5672 49.7832
+S   91.2264 57.6118 49.6327
+S   91.2286 57.6261 49.5047
+S   91.2625 57.5027 49.5491
+S   91.4010 57.3971 49.5036
+S   91.4809 57.3686 49.3858
+S   91.5248 57.4086 49.3545
+S   91.4879 57.3554 49.5077
+S   91.5022 57.3300 49.5782
+S   91.6027 57.2573 49.5300
+S   91.7289 57.3055 49.5683
+S   91.8210 57.4047 49.6620
+S   91.7951 57.3417 49.8165
+S   91.8341 57.2907 49.9213
+S   91.7649 57.2655 49.8244
+S   91.5524 57.2562 49.6699
+S   91.5003 57.3258 49.5341
+S   91.6087 57.3424 49.5064
+S   91.6260 57.2597 49.6182
+S   91.7279 57.1933 49.6225
+S   91.9144 57.2842 49.6244
+S   92.0838 57.2897 49.6732
+S   92.2419 57.2912 49.7768
+S   92.3896 57.3024 49.7978
+S   92.5149 57.3056 49.8705
+S   92.5844 57.3128 49.8332
+S   92.7370 57.3323 49.6764
+S   92.9294 57.2859 49.5738
+S   92.9180 57.2693 49.5540
+S   92.8424 57.3410 49.5713
+S   92.7276 57.4020 49.6499
+S   92.6632 57.3486 49.7027
+S   92.7536 57.2923 49.7201
+S   92.8260 57.4103 49.5910
+S   92.7640 57.5114 49.5495
+S   92.6583 57.5140 49.5582
+S   92.6712 57.5284 49.4699
+S   92.7079 57.4817 49.3733
+S   92.7444 57.4231 49.3944
+S   92.8353 57.4031 49.4144
+S   92.9593 57.4276 49.4997
+S   93.0596 57.4252 49.6193
+S   93.1326 57.4475 49.6565
+S   93.2584 57.4208 49.7039
+S   93.4163 57.4230 49.7372
+S   93.5683 57.4997 49.7577
+S   93.7980 57.4963 49.8429
+S   93.9371 57.4095 49.8811
+S   93.9837 57.3236 49.9389
+S   94.0783 57.3205 49.9533
+S   94.1632 57.2520 50.0152
+S   94.2668 57.1806 50.0355
+S   94.4116 57.0912 50.0227
+S   94.5240 57.0056 49.9241
+S   94.5089 56.8185 49.8240
+S   94.5526 56.7497 49.6308
+S   94.6602 56.6736 49.4278
+S   94.7814 56.5260 49.2263

4xe0_ligand_native_407/MCpath38.xyz ADDED Viewed

	@@ -0,0 +1,94 @@

+92
+92
+S   89.6089 58.0913 49.8303
+S   89.5275 58.0787 49.9245
+S   89.5115 58.0487 49.8876
+S   89.5866 57.9672 49.8446
+S   89.7016 57.9492 49.7650
+S   89.6942 57.9279 49.6218
+S   89.6203 57.9540 49.6107
+S   89.5098 58.0320 49.6023
+S   89.4604 58.1280 49.6511
+S   89.5379 58.1618 49.8348
+S   89.5780 58.2201 49.9470
+S   89.6510 58.2798 50.0873
+S   89.7100 58.2478 50.1868
+S   89.6663 58.2836 50.2489
+S   89.6368 58.3944 50.2225
+S   89.6320 58.3387 50.1883
+S   89.6359 58.3098 50.1822
+S   89.6416 58.2022 50.2049
+S   89.6909 58.2247 50.2482
+S   89.6872 58.3035 50.2833
+S   89.6567 58.3391 50.3194
+S   89.6374 58.2873 50.3503
+S   89.7320 58.2858 50.4002
+S   89.8037 58.2947 50.4179
+S   90.0232 58.3049 50.3785
+S   90.2704 58.3295 50.3612
+S   90.4043 58.3325 50.3056
+S   90.5127 58.2660 50.2347
+S   90.6163 58.1745 50.1818
+S   90.6677 58.2122 50.0877
+S   90.6996 58.1784 49.8831
+S   90.7473 58.0617 49.7104
+S   90.7416 57.9546 49.7573
+S   90.8566 57.7869 49.6662
+S   90.8741 57.6582 49.5043
+S   90.8505 57.6248 49.5094
+S   90.8536 57.5571 49.6563
+S   90.9003 57.5028 49.7967
+S   90.9232 57.4851 49.8403
+S   90.9354 57.5169 49.7929
+S   90.8996 57.5131 49.7561
+S   90.9352 57.5322 49.6480
+S   90.8803 57.5844 49.6761
+S   90.8926 57.6147 49.6225
+S   90.9486 57.5961 49.5142
+S   90.9891 57.6130 49.4958
+S   91.0645 57.6102 49.5322
+S   91.1751 57.5252 49.4636
+S   91.3375 57.4959 49.3620
+S   91.5853 57.5476 49.3101
+S   91.8036 57.5200 49.3806
+S   91.9264 57.4921 49.5408
+S   92.0255 57.4785 49.7030
+S   92.0329 57.5173 49.8548
+S   92.0287 57.6329 49.9028
+S   91.9657 57.6871 49.8771
+S   91.8446 57.6958 49.8110
+S   91.7309 57.6264 49.7775
+S   91.7097 57.5429 49.8173
+S   91.7212 57.5003 49.7989
+S   91.7119 57.3957 49.7685
+S   91.7284 57.3935 49.6774
+S   91.7063 57.4735 49.6727
+S   91.6661 57.4416 49.6735
+S   91.6426 57.4288 49.5914
+S   91.7383 57.4311 49.4789
+S   91.8129 57.4502 49.5002
+S   91.9117 57.4431 49.5451
+S   92.1038 57.4927 49.5669
+S   92.3852 57.4578 49.5794
+S   92.5743 57.3363 49.5693
+S   92.6687 57.1950 49.7060
+S   92.7991 57.1674 49.8406
+S   92.9740 57.1304 49.9141
+S   93.1269 57.1406 49.9955
+S   93.2240 57.1256 50.1355
+S   93.2735 57.1232 50.2041
+S   93.2912 57.1979 50.2946
+S   93.2361 57.1749 50.2300
+S   93.1991 57.1106 50.1979
+S   93.2229 57.0841 50.2626
+S   93.2487 57.1142 50.4360
+S   93.3316 57.1686 50.4861
+S   93.5043 57.1671 50.4707
+S   93.7125 57.0920 50.4137
+S   93.7228 56.9884 50.4067
+S   93.7372 56.8083 50.4172
+S   93.8257 56.6939 50.3398
+S   93.9937 56.6119 50.3087
+S   94.1548 56.4396 50.3436
+S   94.4410 56.2393 50.2553
+S   94.6824 56.1103 50.2015

4xe0_ligand_native_407/MCpath39.xyz ADDED Viewed

	@@ -0,0 +1,120 @@

+118
+118
+S   89.7255 58.0706 50.1149
+S   89.7908 58.0472 50.0540
+S   89.8671 57.9703 49.9558
+S   89.8779 57.8688 49.9357
+S   89.8811 57.6991 49.8904
+S   89.9104 57.6617 49.9126
+S   90.0060 57.7372 49.9570
+S   90.0038 57.8698 49.8556
+S   89.9344 57.9617 49.8473
+S   89.8684 57.9324 49.8455
+S   89.9170 57.9725 49.7721
+S   90.0518 57.9715 49.7650
+S   90.2113 57.8436 49.6920
+S   90.3520 57.6873 49.7015
+S   90.4426 57.5887 49.7873
+S   90.5519 57.5229 49.7669
+S   90.6635 57.4796 49.7571
+S   90.7180 57.5101 49.7696
+S   90.7144 57.5715 49.7124
+S   90.6243 57.6970 49.6204
+S   90.4791 57.6718 49.6068
+S   90.3502 57.5769 49.6696
+S   90.3594 57.5589 49.7139
+S   90.3090 57.5992 49.7531
+S   90.2100 57.6109 49.7825
+S   90.1810 57.6271 49.7858
+S   90.1716 57.7347 49.6486
+S   90.1792 57.7810 49.6066
+S   90.1698 57.7216 49.6813
+S   90.2984 57.6959 49.7215
+S   90.3736 57.6396 49.7145
+S   90.4018 57.5301 49.6799
+S   90.4855 57.4620 49.5690
+S   90.5753 57.5201 49.4756
+S   90.6803 57.5274 49.4860
+S   90.7316 57.4934 49.4105
+S   90.6920 57.4265 49.4248
+S   90.5112 57.2748 49.3856
+S   90.4085 57.3196 49.4491
+S   90.4137 57.4277 49.4492
+S   90.4650 57.4819 49.5117
+S   90.4372 57.4906 49.6184
+S   90.5009 57.5807 49.7123
+S   90.5395 57.6143 49.7713
+S   90.4974 57.5961 49.6912
+S   90.4902 57.6104 49.5767
+S   90.4858 57.6240 49.4504
+S   90.4387 57.5891 49.3193
+S   90.3349 57.5672 49.2354
+S   90.2918 57.5368 49.2045
+S   90.3631 57.5285 49.3178
+S   90.4082 57.4604 49.3081
+S   90.3647 57.3490 49.2663
+S   90.3532 57.3031 49.3931
+S   90.3117 57.3831 49.5500
+S   90.3275 57.4738 49.5393
+S   90.3950 57.4909 49.4208
+S   90.5297 57.3932 49.3238
+S   90.5392 57.2973 49.2975
+S   90.5374 57.1952 49.4013
+S   90.4837 57.1290 49.4595
+S   90.4690 57.1248 49.5478
+S   90.5251 57.2391 49.5884
+S   90.5913 57.3147 49.5791
+S   90.5815 57.4310 49.5696
+S   90.5816 57.5434 49.6466
+S   90.5229 57.5562 49.6880
+S   90.5185 57.5853 49.7183
+S   90.5794 57.6381 49.6665
+S   90.5954 57.6158 49.5650
+S   90.6180 57.4658 49.4604
+S   90.6080 57.3783 49.4258
+S   90.5761 57.4272 49.4104
+S   90.5180 57.4330 49.3376
+S   90.5207 57.4862 49.3652
+S   90.6310 57.5567 49.3908
+S   90.6833 57.5788 49.3672
+S   90.7163 57.5864 49.4426
+S   90.7143 57.6859 49.5693
+S   90.6417 57.5745 49.6348
+S   90.5854 57.4089 49.6878
+S   90.5257 57.2966 49.7987
+S   90.5007 57.1721 49.8087
+S   90.5000 57.1371 49.7425
+S   90.4413 57.2383 49.5620
+S   90.5056 57.2947 49.4284
+S   90.6211 57.3107 49.3903
+S   90.7244 57.4034 49.3348
+S   91.0541 57.5033 49.3652
+S   91.7033 57.4249 49.3583
+S   92.2486 57.4059 49.3271
+S   92.5933 57.3304 49.3680
+S   92.8861 57.2447 49.3463
+S   92.8792 57.2658 49.3104
+S   92.7139 57.2763 49.2918
+S   92.6290 57.2656 49.3794
+S   92.6439 57.2447 49.4679
+S   92.8249 57.2583 49.5903
+S   92.8791 57.2914 49.8092
+S   92.7549 57.3486 49.9734
+S   92.6288 57.4192 49.9812
+S   92.6487 57.3146 49.9657
+S   92.7757 57.2729 49.9006
+S   92.7782 57.1953 49.7829
+S   92.7572 57.0624 49.6562
+S   92.6010 56.8647 49.6543
+S   92.5285 56.7156 49.6307
+S   92.5406 56.6241 49.6398
+S   92.4997 56.5598 49.6650
+S   92.4884 56.4597 49.7053
+S   92.6065 56.3723 49.6670
+S   92.8320 56.2981 49.7424
+S   93.0127 56.3050 49.8657
+S   93.0146 56.2602 49.8522
+S   92.9187 56.1682 49.8157
+S   92.8649 56.1460 49.8010
+S   92.8409 56.1293 49.7148
+S   92.8502 56.0862 49.6552

4xe0_ligand_native_407/MCpath4.xyz ADDED Viewed

	@@ -0,0 +1,89 @@

+87
+87
+S   89.8072 57.7529 49.9009
+S   89.8766 57.8044 49.9337
+S   89.8837 57.8788 49.9276
+S   89.8518 58.0417 49.9192
+S   89.8275 58.0878 49.8824
+S   89.8335 58.0515 49.8614
+S   89.9099 57.9414 49.8838
+S   89.9727 57.8735 49.8323
+S   90.0306 57.8861 49.7413
+S   90.0656 57.9265 49.7332
+S   90.1042 57.9060 49.7966
+S   90.1904 57.8558 49.9383
+S   90.3069 57.8928 49.9553
+S   90.2827 57.8572 49.8254
+S   90.2026 57.7158 49.7067
+S   90.3574 57.5680 49.6745
+S   90.5376 57.4537 49.7050
+S   90.5075 57.4056 49.6210
+S   90.4690 57.5303 49.5758
+S   90.4089 57.6039 49.5676
+S   90.3739 57.6085 49.6028
+S   90.3371 57.6407 49.6697
+S   90.2951 57.6529 49.7308
+S   90.3022 57.6394 49.6781
+S   90.3001 57.6019 49.6231
+S   90.3201 57.4768 49.6146
+S   90.3338 57.4686 49.6234
+S   90.3438 57.5299 49.7205
+S   90.4063 57.4659 49.7588
+S   90.4971 57.4488 49.8580
+S   90.5663 57.5307 49.8442
+S   90.5775 57.5911 49.7511
+S   90.5185 57.7105 49.6289
+S   90.5759 57.7901 49.6336
+S   90.6996 57.7321 49.7521
+S   90.8618 57.7129 49.7448
+S   90.9769 57.5508 49.6974
+S   91.0595 57.4521 49.6306
+S   91.1514 57.4586 49.6494
+S   91.2332 57.3931 49.6606
+S   91.3917 57.4545 49.6417
+S   91.6256 57.4330 49.6343
+S   91.8473 57.3940 49.6530
+S   91.9219 57.2589 49.6777
+S   91.9083 57.2564 49.6085
+S   91.8638 57.3062 49.6150
+S   91.7374 57.3799 49.7039
+S   91.6091 57.3470 49.7602
+S   91.6709 57.2999 49.6911
+S   91.7925 57.2699 49.6458
+S   91.8466 57.2337 49.5906
+S   91.7932 57.1356 49.5037
+S   91.7936 57.1644 49.4912
+S   91.7622 57.1456 49.4422
+S   91.8506 57.1206 49.3898
+S   91.9597 57.1344 49.4458
+S   91.9990 57.1516 49.6080
+S   92.0149 57.3704 49.8308
+S   91.9871 57.5947 49.8487
+S   91.9122 57.6383 49.7836
+S   91.9035 57.6851 49.7562
+S   92.0326 57.7907 49.8484
+S   92.1582 57.8105 49.8578
+S   92.3135 57.8146 49.8026
+S   92.3822 57.8527 49.7314
+S   92.3754 57.7449 49.6865
+S   92.4176 57.5951 49.6616
+S   92.5040 57.4618 49.7021
+S   92.5611 57.2819 49.6409
+S   92.6876 57.2269 49.6407
+S   92.8558 57.2417 49.5521
+S   93.0774 57.3119 49.6017
+S   93.3083 57.3329 49.7479
+S   93.5340 57.2274 49.8436
+S   93.7063 57.2381 49.9177
+S   93.7741 57.2559 49.9999
+S   93.8376 57.3390 50.0403
+S   93.8592 57.3856 49.9750
+S   93.9306 57.3945 49.8857
+S   93.9846 57.3386 49.9109
+S   94.0015 57.2335 49.9969
+S   94.0268 57.0888 50.0205
+S   94.1216 56.9229 50.0152
+S   94.2265 56.7430 49.9684
+S   94.3648 56.4542 49.7957
+S   94.4831 56.1695 49.7086
+S   94.4963 55.9002 49.6511

4xe0_ligand_native_407/MCpath40.xyz ADDED Viewed

	@@ -0,0 +1,100 @@

+98
+98
+S   89.8856 57.9373 49.9788
+S   89.8216 57.8495 49.9673
+S   89.7123 57.8777 49.8609
+S   89.6705 57.8500 49.8428
+S   89.6773 57.7691 49.8866
+S   89.7982 57.7379 49.8717
+S   89.8514 57.7279 49.8301
+S   89.9187 57.6969 49.8115
+S   89.9683 57.7982 49.7621
+S   89.9324 57.7885 49.8334
+S   89.9916 57.7313 49.8663
+S   90.1206 57.7576 49.8658
+S   90.2868 57.9130 49.8525
+S   90.3272 57.9874 49.8068
+S   90.2838 57.8753 49.7193
+S   90.2833 57.8099 49.7688
+S   90.2939 57.8010 49.7948
+S   90.2742 57.7369 49.6864
+S   90.2090 57.5935 49.6767
+S   90.1246 57.4972 49.7241
+S   90.1117 57.4733 49.6862
+S   90.1697 57.5132 49.6420
+S   90.2505 57.5939 49.6537
+S   90.3256 57.6505 49.7316
+S   90.3482 57.5694 49.7525
+S   90.4506 57.5925 49.7115
+S   90.6131 57.6544 49.6603
+S   90.5856 57.5517 49.5174
+S   90.5337 57.4808 49.3293
+S   90.5240 57.4994 49.2444
+S   90.4907 57.4884 49.1787
+S   90.3691 57.4806 49.2673
+S   90.3466 57.5564 49.3478
+S   90.3621 57.6287 49.4257
+S   90.4575 57.5572 49.4819
+S   90.4738 57.3872 49.5603
+S   90.5372 57.2825 49.6706
+S   90.6654 57.2846 49.6331
+S   90.6679 57.2894 49.4862
+S   90.5965 57.2467 49.4748
+S   90.5774 57.2571 49.5236
+S   90.6089 57.4555 49.5826
+S   90.6474 57.6859 49.5935
+S   90.6970 57.6665 49.6566
+S   90.7054 57.5957 49.7699
+S   90.7167 57.5020 49.8716
+S   90.6998 57.4935 49.8836
+S   90.7748 57.5501 49.7614
+S   90.9993 57.7353 49.7602
+S   91.1897 57.6756 49.8195
+S   91.4145 57.5119 49.8477
+S   91.6561 57.4219 49.8821
+S   91.8833 57.4495 49.9157
+S   91.9176 57.5487 49.8523
+S   91.8890 57.5312 49.8259
+S   91.8604 57.4776 49.7510
+S   91.8172 57.4397 49.6610
+S   91.7582 57.3988 49.5732
+S   91.6673 57.4026 49.6029
+S   91.7715 57.5164 49.6652
+S   91.8688 57.6392 49.6838
+S   91.9569 57.5341 49.6744
+S   91.9715 57.5080 49.7281
+S   92.0174 57.5215 49.7616
+S   92.0629 57.4971 49.7352
+S   92.1684 57.4875 49.6482
+S   92.2579 57.4790 49.4506
+S   92.3242 57.4317 49.3281
+S   92.4417 57.4289 49.3823
+S   92.6110 57.3577 49.3943
+S   92.8318 57.2440 49.4921
+S   92.9141 57.2638 49.6286
+S   92.8662 57.3525 49.7182
+S   92.7329 57.4955 49.6605
+S   92.6956 57.5175 49.5813
+S   92.7503 57.5074 49.5390
+S   92.8387 57.4590 49.5241
+S   92.9765 57.3463 49.6536
+S   93.0281 57.3199 49.6894
+S   93.0869 57.3064 49.6967
+S   93.1443 57.2724 49.7020
+S   93.1813 57.3189 49.7252
+S   93.3234 57.4148 49.7169
+S   93.4161 57.3850 49.8418
+S   93.4756 57.2926 49.9726
+S   93.6506 57.3145 49.9286
+S   93.7520 57.3831 49.8386
+S   93.8557 57.3984 49.7512
+S   93.8910 57.2966 49.7555
+S   93.9037 57.2048 49.7511
+S   93.9839 57.2098 49.6585
+S   94.1086 57.2029 49.6524
+S   94.2405 57.1151 49.6419
+S   94.3537 56.9984 49.5199
+S   94.4417 56.7781 49.4818
+S   94.5169 56.5018 49.4277
+S   94.6698 56.2467 49.3871
+S   94.7676 56.0610 49.3628

4xe0_ligand_native_407/MCpath41.xyz ADDED Viewed

	@@ -0,0 +1,95 @@

+93
+93
+S   89.9109 57.9095 49.9799
+S   89.8530 57.9109 49.9279
+S   89.8346 57.9056 49.9632
+S   89.7958 57.8845 49.9820
+S   89.7982 57.8203 49.9832
+S   89.9994 57.8384 49.9673
+S   90.0782 57.8227 49.9960
+S   90.1360 57.8110 50.0083
+S   90.1236 57.8636 50.0214
+S   90.0414 57.8064 49.9394
+S   89.9753 57.7135 49.8866
+S   89.9240 57.6800 49.8707
+S   89.9258 57.7295 49.8560
+S   90.0296 57.7679 49.8859
+S   90.1843 57.8068 49.8526
+S   90.3110 57.7853 49.7258
+S   90.4202 57.7743 49.6467
+S   90.5064 57.7928 49.6790
+S   90.5383 57.7063 49.6642
+S   90.4427 57.5879 49.6847
+S   90.2922 57.4286 49.7294
+S   90.2921 57.4151 49.7195
+S   90.4360 57.4016 49.7191
+S   90.5738 57.3987 49.6509
+S   90.6453 57.3806 49.6128
+S   90.6845 57.3549 49.5072
+S   90.6511 57.3050 49.5593
+S   90.5837 57.2419 49.6744
+S   90.6562 57.2708 49.6799
+S   90.7279 57.3335 49.5345
+S   90.7569 57.3911 49.4760
+S   90.9147 57.5386 49.6011
+S   91.0381 57.5745 49.7807
+S   91.0534 57.5468 49.9506
+S   91.1472 57.5896 49.9353
+S   91.3078 57.6679 49.7749
+S   91.4552 57.6859 49.6918
+S   91.6212 57.6076 49.6358
+S   91.7474 57.6318 49.5456
+S   91.7357 57.6820 49.3673
+S   91.7088 57.6575 49.3528
+S   91.7671 57.5669 49.5112
+S   91.8105 57.4236 49.6910
+S   91.8280 57.3818 49.8106
+S   91.7832 57.4774 49.8049
+S   91.6890 57.5945 49.7693
+S   91.6583 57.7105 49.8203
+S   91.6277 57.7385 49.7862
+S   91.6225 57.6053 49.6953
+S   91.5571 57.4843 49.6401
+S   91.6110 57.3516 49.5787
+S   91.7173 57.3024 49.5615
+S   91.8389 57.2897 49.5752
+S   91.9787 57.2812 49.6652
+S   92.1257 57.2584 49.6354
+S   92.1554 57.2596 49.6201
+S   92.2995 57.2962 49.7080
+S   92.4134 57.3046 49.7747
+S   92.5340 57.2905 49.7760
+S   92.6463 57.3573 49.7426
+S   92.7363 57.3269 49.6814
+S   92.8609 57.2897 49.6380
+S   92.8966 57.2193 49.6156
+S   92.8393 57.1971 49.6889
+S   92.7762 57.2370 49.7306
+S   92.7667 57.3445 49.7308
+S   92.8008 57.2837 49.6487
+S   92.8748 57.1566 49.5885
+S   92.8993 57.0959 49.5222
+S   92.9895 57.1281 49.4372
+S   93.1517 57.2433 49.4574
+S   93.3638 57.3772 49.4996
+S   93.5236 57.3010 49.6594
+S   93.7203 57.1701 49.7709
+S   93.8146 57.1415 49.7757
+S   93.8669 57.0533 49.7850
+S   93.8451 56.9396 49.7760
+S   93.7440 56.8315 49.7635
+S   93.7219 56.8168 49.8528
+S   93.7093 56.7620 49.9507
+S   93.8272 56.7439 50.0450
+S   93.9538 56.6877 50.0681
+S   94.0378 56.5555 50.1157
+S   94.1328 56.4423 50.1549
+S   94.1762 56.3020 50.1754
+S   94.2296 56.2807 50.3182
+S   94.2970 56.2967 50.4166
+S   94.4004 56.4023 50.4319
+S   94.4091 56.4187 50.4592
+S   94.4244 56.4439 50.5016
+S   94.4889 56.4030 50.5581
+S   94.6068 56.3633 50.5005
+S   94.7208 56.3678 50.4772

4xe0_ligand_native_407/MCpath42.xyz ADDED Viewed

	@@ -0,0 +1,97 @@

+95
+95
+S   89.6764 57.8359 49.8288
+S   89.6731 57.8313 49.9037
+S   89.5686 57.8696 49.9906
+S   89.5841 57.9164 50.0015
+S   89.6172 57.8920 49.9787
+S   89.6000 57.7721 49.9414
+S   89.6679 57.7417 49.9296
+S   89.7749 57.7503 49.9033
+S   89.8265 57.7766 49.8318
+S   89.7760 57.7672 49.7329
+S   89.7858 57.8357 49.6444
+S   89.8814 57.9229 49.6498
+S   89.9761 57.9035 49.7411
+S   90.0424 57.8884 49.7437
+S   90.2686 57.9380 49.7246
+S   90.4487 57.9325 49.7539
+S   90.5947 57.9094 49.7276
+S   90.7561 57.7828 49.7210
+S   90.8355 57.6168 49.7652
+S   90.8450 57.5917 49.7871
+S   90.7554 57.5235 49.7648
+S   90.6836 57.4516 49.7458
+S   90.6089 57.3691 49.6040
+S   90.5224 57.2951 49.3913
+S   90.5041 57.2926 49.2508
+S   90.5462 57.3388 49.1912
+S   90.6138 57.3746 49.3160
+S   90.6809 57.3818 49.4704
+S   90.7013 57.3868 49.5870
+S   90.7075 57.4409 49.5562
+S   90.5883 57.4827 49.4451
+S   90.4667 57.4825 49.4630
+S   90.4516 57.6598 49.5612
+S   90.4171 57.7451 49.6035
+S   90.3991 57.7095 49.5671
+S   90.3460 57.7181 49.5372
+S   90.3567 57.7390 49.5211
+S   90.4600 57.6638 49.4594
+S   90.5104 57.5886 49.3655
+S   90.4741 57.5142 49.3201
+S   90.3589 57.4697 49.3906
+S   90.2375 57.5284 49.5165
+S   90.1419 57.5445 49.6704
+S   90.0543 57.5060 49.7271
+S   90.0877 57.4606 49.7250
+S   90.1985 57.4092 49.6210
+S   90.2900 57.3674 49.4862
+S   90.4194 57.3446 49.4408
+S   90.4972 57.3444 49.3862
+S   90.5325 57.3265 49.3630
+S   90.5297 57.3642 49.2781
+S   90.5145 57.5298 49.3449
+S   90.4487 57.4424 49.4556
+S   90.4355 57.4233 49.5199
+S   90.3919 57.2950 49.4988
+S   90.3478 57.3099 49.6353
+S   90.3945 57.4241 49.7146
+S   90.4419 57.5248 49.7525
+S   90.5101 57.6580 49.7025
+S   90.5178 57.7598 49.6450
+S   90.5581 57.8506 49.5536
+S   90.5698 57.8696 49.4114
+S   90.5605 57.7252 49.3804
+S   90.5321 57.6813 49.3904
+S   90.6352 57.5509 49.3575
+S   90.8012 57.3887 49.3558
+S   91.2425 57.3723 49.4210
+S   91.8055 57.3026 49.5691
+S   92.1814 57.1441 49.6267
+S   92.3929 57.0819 49.6388
+S   92.5182 57.1053 49.7535
+S   92.6760 57.1083 49.7752
+S   92.7192 57.1579 49.7348
+S   92.7022 57.1748 49.8009
+S   92.6716 57.1957 49.8867
+S   92.7301 57.1692 49.8614
+S   92.8124 57.1273 49.9044
+S   92.9401 57.1568 49.9195
+S   92.9865 57.1729 49.9893
+S   92.9469 57.1276 50.0593
+S   92.8927 57.1082 50.0381
+S   92.8144 57.1088 50.0305
+S   92.7069 57.1278 49.9453
+S   92.6116 57.1522 49.8344
+S   92.6675 57.1846 49.7345
+S   92.7916 57.1296 49.7820
+S   92.8935 57.1753 49.8418
+S   93.0230 57.1321 49.8321
+S   93.0529 57.0858 49.7222
+S   93.0313 56.9878 49.6770
+S   93.1254 56.8622 49.6705
+S   93.2357 56.6370 49.5491
+S   93.4306 56.4223 49.4958
+S   93.5219 56.2130 49.5111
+S   93.5965 55.9449 49.5419

4xe0_ligand_native_407/MCpath43.xyz ADDED Viewed

	@@ -0,0 +1,90 @@

+88
+88
+S   89.8040 57.8344 49.8669
+S   89.7219 57.8311 49.8698
+S   89.6706 57.7659 49.8589
+S   89.7136 57.8342 49.9500
+S   89.7214 57.9512 49.9634
+S   89.6789 57.9003 49.9107
+S   89.6985 57.8254 49.8203
+S   89.7400 57.8416 49.7469
+S   89.7559 57.8752 49.7341
+S   89.8749 57.8179 49.7381
+S   90.0223 57.7478 49.7762
+S   90.0705 57.7177 49.7692
+S   90.1463 57.7063 49.6885
+S   90.1275 57.6316 49.7343
+S   90.1583 57.5613 49.7976
+S   90.1868 57.5471 49.8860
+S   90.2754 57.5446 49.9630
+S   90.4236 57.5024 50.0225
+S   90.4116 57.5738 49.9535
+S   90.2393 57.7430 49.7112
+S   90.1332 57.7976 49.4905
+S   90.1638 57.7399 49.4528
+S   90.1736 57.7489 49.4906
+S   90.3139 57.7825 49.5764
+S   90.4339 57.6696 49.6640
+S   90.4084 57.5161 49.6010
+S   90.3714 57.4715 49.5227
+S   90.3934 57.4857 49.5693
+S   90.4212 57.4805 49.6603
+S   90.5443 57.4196 49.6902
+S   90.6039 57.4365 49.6289
+S   90.6300 57.4648 49.5549
+S   90.6393 57.4658 49.5013
+S   90.6487 57.5280 49.4911
+S   90.5354 57.5622 49.4915
+S   90.4058 57.6294 49.5642
+S   90.3111 57.5961 49.5641
+S   90.2968 57.5263 49.6079
+S   90.3789 57.4902 49.6313
+S   90.4470 57.4356 49.6073
+S   90.5337 57.3420 49.5957
+S   90.7086 57.3636 49.5536
+S   90.9335 57.4395 49.4828
+S   91.3002 57.4098 49.5454
+S   91.6160 57.3604 49.6937
+S   91.8061 57.3310 49.7727
+S   91.7962 57.2994 49.7820
+S   91.7171 57.3066 49.7683
+S   91.6793 57.3835 49.7352
+S   91.7796 57.3613 49.6677
+S   91.8722 57.3053 49.6709
+S   91.9586 57.3272 49.7658
+S   91.9369 57.3248 49.7873
+S   91.9472 57.4278 49.8219
+S   92.0315 57.5035 49.8223
+S   92.1508 57.4594 49.8027
+S   92.3279 57.4041 49.7655
+S   92.5543 57.4205 49.6324
+S   92.7182 57.3582 49.4945
+S   92.7384 57.2033 49.4333
+S   92.6984 57.1719 49.4061
+S   92.6200 57.2291 49.4668
+S   92.5058 57.2915 49.5155
+S   92.4382 57.3815 49.5543
+S   92.4011 57.4229 49.5826
+S   92.3938 57.4639 49.5180
+S   92.5017 57.4774 49.5751
+S   92.5901 57.4259 49.7161
+S   92.6597 57.3984 49.6983
+S   92.8985 57.3900 49.5684
+S   93.1069 57.3300 49.5590
+S   93.2332 57.3183 49.6663
+S   93.2608 57.3246 49.7178
+S   93.2098 57.3658 49.7940
+S   93.1999 57.3893 49.7796
+S   93.1720 57.2915 49.7460
+S   93.1342 57.2471 49.7229
+S   93.2007 57.2651 49.7499
+S   93.3614 57.3635 49.7679
+S   93.5299 57.4102 49.8476
+S   93.6906 57.4022 49.9551
+S   93.7744 57.4116 49.9655
+S   93.8285 57.3668 49.9411
+S   93.9132 57.2847 49.9464
+S   94.0036 57.2012 49.9090
+S   94.2868 57.1624 49.8421
+S   94.5202 57.1001 49.8158
+S   94.7955 57.0060 49.8507

4xe0_ligand_native_407/MCpath44.xyz ADDED Viewed

	@@ -0,0 +1,101 @@

+99
+99
+S   89.5185 57.9081 49.9296
+S   89.5393 57.9170 49.9793
+S   89.5579 57.9404 49.9887
+S   89.5544 57.9442 49.9025
+S   89.5512 57.9268 49.8185
+S   89.6591 57.8440 49.8606
+S   89.7086 57.8602 49.9425
+S   89.6415 57.8683 49.9432
+S   89.5419 57.9574 49.9371
+S   89.5541 57.9145 49.8575
+S   89.5924 57.8619 49.8083
+S   89.7084 57.9016 49.8050
+S   89.7912 57.8308 49.7614
+S   89.8505 57.6378 49.7294
+S   89.9048 57.5831 49.7455
+S   89.9649 57.6545 49.8126
+S   90.0159 57.6285 49.8658
+S   90.0090 57.5093 49.8642
+S   90.0055 57.4719 49.8019
+S   90.1110 57.5403 49.7890
+S   90.1126 57.5378 49.7534
+S   90.0995 57.5690 49.7424
+S   90.1413 57.6372 49.6872
+S   90.1113 57.5621 49.5731
+S   90.2265 57.5556 49.5591
+S   90.3746 57.6189 49.5403
+S   90.4506 57.6488 49.5342
+S   90.4235 57.5991 49.6575
+S   90.4735 57.6089 49.6936
+S   90.4734 57.4887 49.7348
+S   90.5133 57.4424 49.7637
+S   90.6381 57.4841 49.7041
+S   90.7573 57.5027 49.6337
+S   90.8935 57.4998 49.4944
+S   90.9789 57.4854 49.4014
+S   91.2213 57.3975 49.4678
+S   91.4068 57.3376 49.5575
+S   91.4218 57.3605 49.5582
+S   91.4802 57.3933 49.6200
+S   91.5112 57.4880 49.6331
+S   91.5377 57.5127 49.6576
+S   91.4996 57.5635 49.6874
+S   91.5051 57.5463 49.6320
+S   91.5677 57.4676 49.6047
+S   91.6305 57.3033 49.6023
+S   91.7335 57.2824 49.5469
+S   91.7322 57.4187 49.5048
+S   91.6838 57.4448 49.4523
+S   91.6936 57.3753 49.5332
+S   91.6179 57.3852 49.6725
+S   91.5750 57.3937 49.7048
+S   91.5394 57.3746 49.6043
+S   91.6080 57.4227 49.4795
+S   91.6959 57.4565 49.5115
+S   91.7575 57.4137 49.6975
+S   91.8672 57.4693 49.7514
+S   91.9447 57.5251 49.6546
+S   92.0112 57.5344 49.5287
+S   92.0821 57.5809 49.4884
+S   92.0934 57.5694 49.4679
+S   92.0564 57.4023 49.5226
+S   91.9920 57.3427 49.6369
+S   91.9442 57.2577 49.6525
+S   91.9163 57.2005 49.5294
+S   91.8396 57.2480 49.4449
+S   91.9048 57.4055 49.4591
+S   91.9716 57.4462 49.3208
+S   92.0264 57.4248 49.2410
+S   92.1524 57.5064 49.2650
+S   92.2408 57.5411 49.3267
+S   92.2824 57.5264 49.4628
+S   92.4248 57.5449 49.5126
+S   92.5238 57.4656 49.4838
+S   92.5985 57.4479 49.5276
+S   92.7727 57.4912 49.6178
+S   92.9537 57.4928 49.6968
+S   93.0026 57.4033 49.7518
+S   92.9907 57.2911 49.7724
+S   92.9317 57.2711 49.6622
+S   93.0265 57.2718 49.5772
+S   93.0706 57.2306 49.5761
+S   93.1589 57.1849 49.6034
+S   93.2148 57.1560 49.6091
+S   93.2391 57.0923 49.5823
+S   93.3624 57.1673 49.6249
+S   93.4878 57.1906 49.6010
+S   93.5997 57.2502 49.4811
+S   93.6747 57.2174 49.5289
+S   93.7496 57.2239 49.6406
+S   93.7803 57.2217 49.6419
+S   93.7198 57.2879 49.6383
+S   93.6893 57.3773 49.7264
+S   93.7472 57.3973 49.8353
+S   93.8507 57.3338 49.9374
+S   93.9751 57.3387 50.0074
+S   94.1940 57.3921 50.1026
+S   94.4055 57.3379 50.3339
+S   94.5946 57.2314 50.6341
+S   94.7875 57.1745 50.9041

4xe0_ligand_native_407/MCpath45.xyz ADDED Viewed

	@@ -0,0 +1,102 @@

+100
+100
+S   89.7755 57.9987 49.9357
+S   89.7105 57.9666 49.9508
+S   89.7073 57.8961 49.9392
+S   89.7292 57.8867 49.9358
+S   89.8523 57.9351 49.8864
+S   89.9377 57.9183 49.8227
+S   90.0042 57.8437 49.7874
+S   90.0946 57.8378 49.8715
+S   90.0404 57.8378 49.8954
+S   89.8656 57.8461 49.8131
+S   89.8017 57.9670 49.8157
+S   89.8660 57.9714 49.8984
+S   89.9143 57.9400 49.8490
+S   89.9413 57.8750 49.8464
+S   89.9095 57.8173 49.9182
+S   89.9251 57.7935 49.9425
+S   90.0166 57.8615 49.9669
+S   90.0400 57.8696 49.9352
+S   90.0626 57.8777 49.8861
+S   90.0896 57.8689 49.7840
+S   90.1133 57.8809 49.7934
+S   90.1363 57.9214 49.8056
+S   90.1509 57.9068 49.7840
+S   90.1586 57.8476 49.9353
+S   90.1105 57.8216 50.0267
+S   90.1566 57.8491 49.8972
+S   90.2820 57.9064 49.8222
+S   90.4100 57.8576 49.8751
+S   90.5738 57.7537 49.8960
+S   90.7075 57.6656 49.8401
+S   90.8689 57.6742 49.8208
+S   91.0288 57.6382 49.8394
+S   91.1273 57.6594 49.8908
+S   91.1210 57.5482 49.7877
+S   91.1161 57.4644 49.7370
+S   91.1359 57.5407 49.7324
+S   91.0890 57.4919 49.8139
+S   91.0050 57.3745 49.8488
+S   90.9295 57.4057 49.8081
+S   90.9478 57.4159 49.7144
+S   90.9911 57.4544 49.6127
+S   91.1277 57.5462 49.5954
+S   91.2321 57.6244 49.5650
+S   91.2969 57.5941 49.5416
+S   91.4446 57.5086 49.5240
+S   91.6004 57.3886 49.5166
+S   91.7521 57.2874 49.5540
+S   91.8655 57.3074 49.6049
+S   91.9241 57.3225 49.5668
+S   91.9068 57.2549 49.4568
+S   91.8537 57.0874 49.4997
+S   91.7994 56.9900 49.6455
+S   91.7430 56.9495 49.7374
+S   91.6520 57.0187 49.8317
+S   91.5701 56.9376 49.8510
+S   91.4380 56.8724 49.6707
+S   91.4108 56.7873 49.4866
+S   91.4456 56.5894 49.4089
+S   91.4305 56.3502 49.3496
+S   91.3779 56.0696 49.2766
+S   91.3405 55.8438 49.3568
+S   91.1958 55.6116 49.3593
+S   91.0547 55.4914 49.2603
+S   90.9528 55.2681 49.1736
+S   90.8925 55.0788 49.0904
+S   90.9071 55.1167 48.9447
+S   90.9402 55.2440 48.7734
+S   90.9749 55.4877 48.5808
+S   91.0058 55.8060 48.4396
+S   90.9810 56.0235 48.4891
+S   90.9333 56.0906 48.7050
+S   90.9108 56.2551 48.8494
+S   90.9633 56.5240 48.8442
+S   91.0012 56.7685 48.8696
+S   91.0168 57.0207 48.8699
+S   90.9743 57.1871 48.8740
+S   90.9357 57.2768 48.8180
+S   91.0344 57.4356 48.8134
+S   91.0767 57.5551 48.8352
+S   91.1197 57.5635 48.8610
+S   91.2163 57.6080 48.8610
+S   91.4319 57.6512 48.8564
+S   91.5522 57.6351 48.7734
+S   91.6232 57.6819 48.6399
+S   91.7120 57.7634 48.6102
+S   91.8258 57.6810 48.7791
+S   91.9808 57.5790 49.0109
+S   92.2081 57.6045 49.2237
+S   92.4715 57.6484 49.5130
+S   92.6598 57.4852 49.6640
+S   92.8911 57.3536 49.6892
+S   93.0018 57.3159 49.7336
+S   93.0452 57.1873 49.8047
+S   93.0411 57.0397 49.8712
+S   93.0845 56.9098 49.8718
+S   93.0983 56.7267 49.7434
+S   93.0860 56.5355 49.6385
+S   93.0961 56.3474 49.6422
+S   93.1158 56.1875 49.5683
+S   93.1023 56.0882 49.4077

4xe0_ligand_native_407/MCpath46.xyz ADDED Viewed

	@@ -0,0 +1,104 @@

+102
+102
+S   89.7899 58.0757 50.0019
+S   89.6669 58.1019 50.0139
+S   89.6121 58.1330 49.9360
+S   89.5557 58.1194 49.8648
+S   89.5206 58.0871 49.8205
+S   89.6218 58.1703 49.7523
+S   89.7171 58.2796 49.7209
+S   89.8326 58.3271 49.7710
+S   89.8329 58.2926 49.7888
+S   89.8358 58.2645 49.7660
+S   89.9682 58.2057 49.8370
+S   90.1315 58.1282 49.8924
+S   90.2288 58.0449 49.8997
+S   90.2944 58.0530 49.8760
+S   90.2740 57.9995 49.7980
+S   90.2185 58.0033 49.7592
+S   90.2101 58.1111 49.7657
+S   90.3195 58.1463 49.7211
+S   90.4769 58.0791 49.6909
+S   90.5495 58.1136 49.6493
+S   90.5235 58.2093 49.5688
+S   90.4736 58.3321 49.5681
+S   90.3881 58.3550 49.5892
+S   90.2965 58.3674 49.6761
+S   90.3047 58.4095 49.7038
+S   90.2760 58.3193 49.6301
+S   90.1307 58.2163 49.6669
+S   90.1677 58.1623 49.7459
+S   90.3293 58.1228 49.8410
+S   90.3830 57.9958 49.7991
+S   90.4124 57.8444 49.7470
+S   90.3970 57.7463 49.6939
+S   90.3040 57.6213 49.7076
+S   90.3295 57.5240 49.6422
+S   90.4435 57.4144 49.5993
+S   90.5000 57.3352 49.5443
+S   90.5818 57.2813 49.4992
+S   90.6949 57.1194 49.4552
+S   90.8131 56.9834 49.4580
+S   90.8913 57.0772 49.5479
+S   90.9363 57.2140 49.6713
+S   91.1171 57.3367 49.7716
+S   91.3938 57.4156 49.7318
+S   91.6009 57.4255 49.6461
+S   91.7379 57.4301 49.6924
+S   91.7848 57.4215 49.7036
+S   91.7719 57.4202 49.6706
+S   91.7320 57.4079 49.6509
+S   91.7345 57.4665 49.5965
+S   91.7387 57.5676 49.5766
+S   91.6651 57.5860 49.5148
+S   91.7235 57.4982 49.5677
+S   91.8385 57.4795 49.5921
+S   91.8647 57.5474 49.7058
+S   91.8306 57.6383 49.8381
+S   91.7607 57.8659 49.8109
+S   91.7032 57.9050 49.6874
+S   91.6877 57.8606 49.6350
+S   91.7869 57.7797 49.6228
+S   91.9374 57.6822 49.6933
+S   92.0820 57.5979 49.8344
+S   92.2565 57.6221 49.8562
+S   92.3682 57.6397 49.7708
+S   92.5013 57.6805 49.7579
+S   92.5321 57.7426 49.7102
+S   92.5927 57.6412 49.6899
+S   92.7655 57.5776 49.6985
+S   92.7580 57.5288 49.7668
+S   92.7433 57.4484 49.8276
+S   92.7175 57.3376 49.8330
+S   92.7357 57.1961 49.7967
+S   92.8753 57.2037 49.7650
+S   93.1474 57.2963 49.7494
+S   93.2975 57.2970 49.6085
+S   93.3434 57.2947 49.5473
+S   93.3991 57.3354 49.5905
+S   93.4341 57.3645 49.6902
+S   93.5507 57.3769 49.7547
+S   93.7469 57.3319 49.7761
+S   93.7842 57.2292 49.7976
+S   93.8313 57.1838 49.8459
+S   93.8345 57.1574 49.9224
+S   93.7650 57.2533 49.9283
+S   93.6574 57.4386 49.8236
+S   93.5837 57.6179 49.6895
+S   93.5599 57.7407 49.5509
+S   93.5603 57.7356 49.4461
+S   93.7213 57.7307 49.4642
+S   93.8865 57.6890 49.5867
+S   94.0992 57.5607 49.7249
+S   94.3335 57.4977 49.8451
+S   94.5448 57.4627 49.9508
+S   94.6576 57.4151 49.9573
+S   94.7866 57.3618 49.9565
+S   94.8626 57.3137 49.8742
+S   94.9464 57.3061 49.6913
+S   94.9600 57.2055 49.5118
+S   95.0298 57.1716 49.3886
+S   95.1406 57.2155 49.3089
+S   95.1919 57.1758 49.3720
+S   95.2207 57.1147 49.4651
+S   95.2520 57.0242 49.5787

4xe0_ligand_native_407/MCpath47.xyz ADDED Viewed

	@@ -0,0 +1,98 @@

+96
+96
+S   89.6787 57.7926 49.8165
+S   89.6493 57.9489 49.8292
+S   89.6534 58.0948 49.7914
+S   89.6521 58.1797 49.8073
+S   89.6417 58.2318 49.8234
+S   89.6324 58.2994 49.8186
+S   89.6192 58.2820 49.7941
+S   89.5532 58.1826 49.8148
+S   89.4700 58.0750 49.8723
+S   89.4473 57.9319 49.9916
+S   89.4346 57.9262 50.0120
+S   89.3974 58.0264 49.9211
+S   89.4206 58.1163 49.8528
+S   89.5124 58.1761 49.8042
+S   89.6358 58.1605 49.8280
+S   89.7312 58.2133 49.7519
+S   89.8425 58.2157 49.6928
+S   89.9747 58.2718 49.6410
+S   90.1616 58.3612 49.6286
+S   90.2591 58.3304 49.7184
+S   90.3509 58.3660 49.8853
+S   90.3563 58.3709 49.9815
+S   90.3808 58.4123 49.9545
+S   90.4687 58.4025 49.8807
+S   90.5166 58.3128 49.7693
+S   90.5722 58.1887 49.7025
+S   90.5914 58.1673 49.7475
+S   90.6233 58.1209 49.7945
+S   90.7464 58.0653 49.8332
+S   90.7633 57.9959 49.8202
+S   90.6441 57.7839 49.7614
+S   90.4911 57.4910 49.7081
+S   90.4693 57.3613 49.6477
+S   90.5115 57.2759 49.6467
+S   90.6030 57.2338 49.6344
+S   90.6488 57.1368 49.5658
+S   90.6348 56.9200 49.4446
+S   90.5187 56.7299 49.3315
+S   90.4471 56.6887 49.3488
+S   90.4028 56.7012 49.4069
+S   90.3420 56.7836 49.3884
+S   90.3390 57.0182 49.4046
+S   90.4399 57.2315 49.4537
+S   90.5490 57.3622 49.4757
+S   90.7182 57.3007 49.4403
+S   90.8425 57.3918 49.3838
+S   91.0735 57.4325 49.4002
+S   91.2653 57.3818 49.4259
+S   91.3309 57.3374 49.4837
+S   91.3080 57.3137 49.5083
+S   91.3230 57.3374 49.6032
+S   91.4870 57.3356 49.7111
+S   91.6739 57.3858 49.7075
+S   91.8074 57.4235 49.6311
+S   91.7813 57.4131 49.6411
+S   91.6883 57.4395 49.7268
+S   91.6961 57.5094 49.8246
+S   91.7561 57.5167 49.7780
+S   91.8081 57.5383 49.7241
+S   91.8761 57.5157 49.7183
+S   91.9046 57.5337 49.7856
+S   91.8707 57.5136 49.8165
+S   91.8087 57.5915 49.7744
+S   91.7609 57.5811 49.6711
+S   91.8317 57.6228 49.5834
+S   91.9646 57.6428 49.7336
+S   91.9810 57.5847 49.9210
+S   91.9927 57.4957 50.0050
+S   92.0228 57.6034 50.0630
+S   92.1023 57.6491 50.0405
+S   92.3000 57.5771 50.0116
+S   92.6680 57.4928 50.0228
+S   92.8684 57.3919 49.8486
+S   92.9033 57.3100 49.7385
+S   92.8622 57.2494 49.7694
+S   92.8950 57.3002 49.8618
+S   92.8923 57.2495 49.8565
+S   92.8090 57.2761 49.7246
+S   92.8265 57.3395 49.6978
+S   92.9548 57.3718 49.6917
+S   93.0162 57.3628 49.5999
+S   92.9902 57.3514 49.4752
+S   93.0523 57.4183 49.4702
+S   93.0397 57.4189 49.5288
+S   93.1358 57.3726 49.5925
+S   93.2755 57.4112 49.7022
+S   93.4685 57.5173 49.7392
+S   93.6378 57.5974 49.8191
+S   93.8042 57.5273 49.8654
+S   93.8535 57.4304 49.9026
+S   93.9067 57.4033 49.9466
+S   94.0301 57.4582 49.9105
+S   94.2343 57.4237 49.9624
+S   94.4276 57.3380 50.0229
+S   94.5951 57.2134 50.1459
+S   94.7637 57.0632 50.2627

4xe0_ligand_native_407/MCpath48.xyz ADDED Viewed

	@@ -0,0 +1,86 @@

+84
+84
+S   89.8345 57.8758 50.0133
+S   89.8617 57.9070 50.0145
+S   89.8378 57.8107 49.9439
+S   89.7893 57.8103 49.9017
+S   89.8519 57.8250 49.8546
+S   89.9565 57.7670 49.8481
+S   90.0214 57.7486 49.8073
+S   90.0476 57.7818 49.7564
+S   90.0989 57.6268 49.7622
+S   90.1860 57.5343 49.7668
+S   90.3321 57.6273 49.6459
+S   90.3862 57.7061 49.5856
+S   90.3854 57.7269 49.7268
+S   90.4151 57.7309 49.8570
+S   90.3764 57.6771 49.8235
+S   90.2743 57.6480 49.7769
+S   90.1686 57.7307 49.7368
+S   90.1278 57.7547 49.7399
+S   90.1201 57.8009 49.7761
+S   90.1409 57.7981 49.7915
+S   90.2315 57.8601 49.7744
+S   90.2931 57.8795 49.6902
+S   90.4140 57.7763 49.6517
+S   90.4849 57.6846 49.6252
+S   90.5770 57.5265 49.6858
+S   90.6210 57.4766 49.8090
+S   90.5933 57.4956 49.8657
+S   90.5356 57.4049 49.8530
+S   90.5058 57.3653 49.7941
+S   90.6005 57.4833 49.6489
+S   90.7818 57.6177 49.4606
+S   91.0162 57.6158 49.4332
+S   91.2310 57.5897 49.5260
+S   91.3721 57.6579 49.5792
+S   91.3670 57.6624 49.5814
+S   91.3012 57.6240 49.5195
+S   91.3331 57.6615 49.4946
+S   91.3981 57.6618 49.5036
+S   91.5652 57.6159 49.5608
+S   91.6067 57.4960 49.5539
+S   91.6489 57.4972 49.6014
+S   91.7333 57.5138 49.6800
+S   91.6934 57.3909 49.6988
+S   91.6152 57.2807 49.6835
+S   91.5214 57.2703 49.6082
+S   91.5617 57.2925 49.6002
+S   91.6033 57.3462 49.6732
+S   91.6272 57.3554 49.7245
+S   91.6383 57.2934 49.6247
+S   91.6656 57.2384 49.5998
+S   91.7275 57.1681 49.6002
+S   91.9085 57.1541 49.5452
+S   92.0490 57.2381 49.4300
+S   92.0876 57.2692 49.4103
+S   92.0861 57.2841 49.5164
+S   92.1013 57.3648 49.6732
+S   92.1671 57.2965 49.6349
+S   92.2525 57.3091 49.6263
+S   92.4705 57.3402 49.7939
+S   92.6459 57.3595 49.8603
+S   92.8710 57.4292 49.8003
+S   92.9084 57.5038 49.5958
+S   92.8608 57.4790 49.5265
+S   92.9108 57.3791 49.5591
+S   93.0035 57.3204 49.7024
+S   92.9916 57.2823 49.8513
+S   92.9352 57.2286 49.9788
+S   92.9457 57.1069 50.0271
+S   93.0244 56.9767 50.0485
+S   93.1441 56.8691 50.0845
+S   93.1622 56.6833 50.2014
+S   93.0873 56.5141 50.2535
+S   93.0174 56.4386 50.2126
+S   93.0325 56.5742 50.0985
+S   93.0680 56.6846 50.0007
+S   93.0890 56.6976 49.8970
+S   93.0154 56.6315 49.9409
+S   92.9563 56.5526 50.0412
+S   92.9260 56.4372 50.1477
+S   92.9628 56.3309 50.1892
+S   93.0289 56.2269 50.1916
+S   93.0865 56.1610 50.2258
+S   93.3224 56.1136 50.3062
+S   93.5464 55.9709 50.3704

4xe0_ligand_native_407/MCpath49.xyz ADDED Viewed

	@@ -0,0 +1,93 @@

+91
+91
+S   89.7590 57.9531 49.9370
+S   89.7634 57.8768 49.9162
+S   89.7487 57.7599 49.8918
+S   89.8518 57.7628 49.9032
+S   89.8970 57.8850 49.8922
+S   89.8566 57.8929 49.8023
+S   89.8802 57.8994 49.8149
+S   89.9578 57.9884 49.9301
+S   89.9817 58.0408 49.9534
+S   90.0323 58.1081 49.9380
+S   90.0503 58.1168 49.9215
+S   90.1089 58.1373 49.8086
+S   90.1920 58.1764 49.7355
+S   90.1188 58.2544 49.7035
+S   90.0302 58.2642 49.6947
+S   89.8981 58.2521 49.6886
+S   89.9066 58.3240 49.7184
+S   89.8733 58.3097 49.6958
+S   89.8379 58.2736 49.6480
+S   89.9776 58.2063 49.6128
+S   90.2210 58.2336 49.5267
+S   90.2841 58.2856 49.4975
+S   90.2946 58.1970 49.5726
+S   90.4975 58.2301 49.7368
+S   90.6990 58.2869 49.8081
+S   90.7862 58.1928 49.7739
+S   90.8144 58.1642 49.6662
+S   90.7664 58.0881 49.5706
+S   90.7731 57.9017 49.4783
+S   90.7583 57.7284 49.4332
+S   90.7831 57.5974 49.4622
+S   90.8695 57.4456 49.5518
+S   90.9596 57.4172 49.5527
+S   91.0952 57.3763 49.5763
+S   91.1706 57.3608 49.6335
+S   91.2533 57.3808 49.6450
+S   91.3522 57.3589 49.6833
+S   91.4424 57.2923 49.7106
+S   91.5152 57.1263 49.5792
+S   91.5467 57.0131 49.5073
+S   91.4702 56.8520 49.4648
+S   91.3184 56.8483 49.4843
+S   91.2002 56.8132 49.5300
+S   91.1816 56.7484 49.6097
+S   91.2040 56.6516 49.6153
+S   91.2261 56.6541 49.4429
+S   91.1395 56.6310 49.4053
+S   91.1175 56.4924 49.4798
+S   91.0910 56.3683 49.5451
+S   91.2051 56.3736 49.6156
+S   91.4178 56.4550 49.6358
+S   91.4897 56.4732 49.5915
+S   91.6134 56.4673 49.4673
+S   91.7275 56.3743 49.3503
+S   91.8482 56.3486 49.3750
+S   91.9238 56.4399 49.4621
+S   91.9554 56.5069 49.4345
+S   92.0111 56.5865 49.4265
+S   91.9690 56.6101 49.2663
+S   92.0554 56.7496 49.2506
+S   92.1603 56.9146 49.3323
+S   92.1186 56.8603 49.3817
+S   92.2080 56.7828 49.5763
+S   92.3161 56.7449 49.6457
+S   92.4815 56.6864 49.5872
+S   92.6664 56.5883 49.5361
+S   92.8397 56.4650 49.5045
+S   92.9508 56.3536 49.5410
+S   93.0707 56.3934 49.6178
+S   93.0651 56.4009 49.7133
+S   93.0563 56.3533 49.8189
+S   93.1790 56.3709 49.8299
+S   93.3565 56.4156 49.7646
+S   93.4419 56.3715 49.6312
+S   93.5237 56.3272 49.6642
+S   93.6434 56.2838 49.7244
+S   93.8121 56.2617 49.7166
+S   93.9494 56.2043 49.7873
+S   93.9650 56.2428 49.8817
+S   93.8920 56.3413 49.9338
+S   93.8092 56.5218 49.9273
+S   93.6949 56.5826 49.8778
+S   93.7241 56.5307 49.7804
+S   93.8616 56.5787 49.6830
+S   94.0317 56.6610 49.6517
+S   94.1610 56.5995 49.6464
+S   94.3377 56.4602 49.6563
+S   94.5868 56.4319 49.6793
+S   94.7016 56.4016 49.6723
+S   94.6200 56.3332 49.6976
+S   94.7225 56.4022 49.7463

4xe0_ligand_native_407/MCpath5.xyz ADDED Viewed

	@@ -0,0 +1,87 @@

+85
+85
+S   89.8889 57.9216 49.8557
+S   89.8436 58.0202 49.8735
+S   89.7708 58.1725 49.9423
+S   89.6773 58.2022 50.0751
+S   89.6611 58.1676 50.1186
+S   89.7633 58.2523 50.0300
+S   89.8113 58.3423 49.9731
+S   89.8706 58.2689 49.9351
+S   89.9899 58.1640 49.8440
+S   90.0774 58.1515 49.8099
+S   90.1780 58.1885 49.8118
+S   90.1020 58.2973 49.8101
+S   90.0058 58.3036 49.8664
+S   90.0543 58.2656 49.9636
+S   90.1117 58.3064 50.0047
+S   90.1314 58.3471 49.9220
+S   90.1601 58.3792 49.7704
+S   90.0976 58.4089 49.7086
+S   90.0679 58.4107 49.7618
+S   90.1247 58.3363 49.7573
+S   90.1712 58.2405 49.7189
+S   90.2403 58.1915 49.6763
+S   90.2637 58.0975 49.6324
+S   90.2885 58.0222 49.6772
+S   90.3610 57.8656 49.6736
+S   90.3489 57.6520 49.5875
+S   90.3015 57.5408 49.5038
+S   90.2506 57.4116 49.5076
+S   90.2649 57.2577 49.5489
+S   90.4330 57.1749 49.5322
+S   90.5584 57.2049 49.6321
+S   90.6113 57.1790 49.6238
+S   90.6816 57.1191 49.5419
+S   90.7906 57.1294 49.5052
+S   90.9694 57.2503 49.5467
+S   91.1360 57.3211 49.6039
+S   91.2343 57.3422 49.6434
+S   91.3503 57.4183 49.6898
+S   91.4604 57.4528 49.6747
+S   91.4933 57.2800 49.6709
+S   91.4929 57.2092 49.6372
+S   91.5581 57.2367 49.5614
+S   91.6203 57.2706 49.5134
+S   91.6382 57.3764 49.6504
+S   91.5474 57.4439 49.7271
+S   91.5190 57.3647 49.6353
+S   91.5963 57.2645 49.5930
+S   91.6616 57.0775 49.5862
+S   91.6676 56.9444 49.5821
+S   91.5706 56.8361 49.6287
+S   91.4200 56.6927 49.6274
+S   91.3623 56.4768 49.5125
+S   91.4200 56.3019 49.4800
+S   91.4502 56.1267 49.5140
+S   91.3848 56.0653 49.5600
+S   91.2185 56.0307 49.6359
+S   91.1565 56.1310 49.7708
+S   91.1480 56.3257 49.7260
+S   91.2260 56.4393 49.6078
+S   91.3665 56.4482 49.5418
+S   91.4727 56.4414 49.5352
+S   91.4482 56.4357 49.5869
+S   91.4475 56.5000 49.6381
+S   91.4292 56.5661 49.6328
+S   91.4445 56.4906 49.5711
+S   91.5043 56.3779 49.6081
+S   91.4928 56.3448 49.5922
+S   91.5270 56.3007 49.6064
+S   91.6317 56.2279 49.7755
+S   91.8218 56.3118 49.8352
+S   92.0617 56.4871 49.8149
+S   92.1964 56.5819 49.7205
+S   92.3520 56.6752 49.5619
+S   92.4636 56.7859 49.3519
+S   92.6352 56.7804 49.3295
+S   92.9047 56.7127 49.3594
+S   93.1335 56.6709 49.3617
+S   93.3099 56.5596 49.3464
+S   93.3989 56.4111 49.3118
+S   93.5879 56.2893 49.2769
+S   93.7643 56.2010 49.3294
+S   93.8911 56.1208 49.3190
+S   93.9492 56.0682 49.3127
+S   93.9009 56.1320 49.3276
+S   93.7939 56.0874 49.3549

4xe0_ligand_native_407/MCpath50.xyz ADDED Viewed

	@@ -0,0 +1,90 @@

+88
+88
+S   89.8583 57.8672 49.9209
+S   89.8618 57.9452 49.9139
+S   89.8206 57.8980 49.8827
+S   89.8104 57.8592 49.9111
+S   89.8853 57.9221 49.9175
+S   89.9971 58.0252 49.9481
+S   89.9549 57.9658 49.9738
+S   89.9109 57.9538 50.0353
+S   89.8931 57.9413 50.0313
+S   89.9239 57.8666 50.0184
+S   90.0175 57.8785 50.0488
+S   90.0662 57.9756 50.0371
+S   89.9699 57.9591 49.8669
+S   89.9031 58.0279 49.7329
+S   89.9944 58.1096 49.7754
+S   90.1074 58.1302 49.8931
+S   90.1426 58.2031 49.9457
+S   90.1137 58.2518 49.8800
+S   90.1812 58.2842 49.8945
+S   90.3466 58.3925 49.9187
+S   90.3434 58.3843 49.8838
+S   90.2913 58.2757 49.7826
+S   90.2883 58.2250 49.7216
+S   90.3577 58.2404 49.6952
+S   90.5285 58.2276 49.6743
+S   90.6428 58.2699 49.7042
+S   90.7175 58.2433 49.7534
+S   90.7909 58.2419 49.7941
+S   90.9185 58.2078 49.8823
+S   90.9508 58.0361 49.8727
+S   90.9513 57.7870 49.7891
+S   90.9822 57.6539 49.7678
+S   91.0934 57.4730 49.7089
+S   91.2167 57.2635 49.6571
+S   91.3215 57.1317 49.5818
+S   91.4395 57.0862 49.4948
+S   91.4247 56.9447 49.4740
+S   91.3344 56.7941 49.6177
+S   91.1811 56.7186 49.6327
+S   91.0084 56.6320 49.5423
+S   90.9314 56.6208 49.4801
+S   90.9209 56.6499 49.4932
+S   90.8862 56.7523 49.6223
+S   90.8391 56.7073 49.7852
+S   90.7833 56.7338 49.8993
+S   90.7761 56.7328 49.8822
+S   90.7973 56.7711 49.8466
+S   90.8274 56.7856 49.7395
+S   90.9112 56.8323 49.7045
+S   90.9979 56.8447 49.5942
+S   91.0795 56.8393 49.4503
+S   91.1216 56.8887 49.3260
+S   91.0827 56.9462 49.2829
+S   90.9698 56.8980 49.3186
+S   90.9118 56.8056 49.3149
+S   90.9869 56.7240 49.3433
+S   91.1368 56.7035 49.3118
+S   91.3018 56.6655 49.3948
+S   91.3817 56.6695 49.5007
+S   91.3965 56.6098 49.5909
+S   91.3559 56.5402 49.5750
+S   91.4503 56.4393 49.6193
+S   91.5734 56.3677 49.5857
+S   91.6272 56.3910 49.4926
+S   91.6723 56.5270 49.5127
+S   91.6205 56.5850 49.6114
+S   91.6046 56.5119 49.5568
+S   91.6519 56.4791 49.4045
+S   91.7452 56.4535 49.2496
+S   91.8236 56.4165 49.2669
+S   91.9500 56.5103 49.2478
+S   92.0176 56.6838 49.1374
+S   92.1521 56.7999 49.2370
+S   92.3952 56.8309 49.4145
+S   92.5212 56.7796 49.6442
+S   92.6868 56.7162 49.7008
+S   92.8558 56.7630 49.6171
+S   92.8516 56.8769 49.5376
+S   92.5993 56.7943 49.5802
+S   92.3688 56.7372 49.6717
+S   92.3392 56.6820 49.7430
+S   92.3231 56.5744 49.7225
+S   92.3441 56.4917 49.6931
+S   92.5106 56.4120 49.6646
+S   92.7301 56.2522 49.5604
+S   92.9098 56.1492 49.3636
+S   93.0637 56.1215 49.1850
+S   93.2066 56.0740 49.0923

4xe0_ligand_native_407/MCpath6.xyz ADDED Viewed

	@@ -0,0 +1,84 @@

+82
+82
+S   89.7442 57.9915 50.1085
+S   89.7705 58.0196 50.0704
+S   89.7248 57.9157 50.0200
+S   89.7206 57.8557 49.9795
+S   89.7661 57.9011 49.9494
+S   89.8500 57.9398 49.9542
+S   90.0029 57.9443 49.9919
+S   90.0594 57.9752 50.0981
+S   89.9678 57.9355 50.1203
+S   89.9855 57.9301 50.1047
+S   90.0109 57.9133 50.1350
+S   90.0045 57.8917 50.1456
+S   89.9684 57.8409 50.1576
+S   90.0287 57.7915 50.1958
+S   90.1371 57.7461 50.2104
+S   90.1583 57.7284 50.2281
+S   90.1463 57.7035 50.2505
+S   90.0642 57.7644 50.3445
+S   89.9862 57.7785 50.3083
+S   90.0472 57.8125 50.2128
+S   90.1684 57.7810 50.1549
+S   90.3104 57.8020 50.1216
+S   90.3975 57.8173 50.0348
+S   90.5130 57.8850 49.9101
+S   90.4939 57.9098 49.8065
+S   90.4013 57.8375 49.6886
+S   90.3875 57.7624 49.6706
+S   90.4326 57.6587 49.6271
+S   90.5243 57.5789 49.5437
+S   90.6207 57.4719 49.4328
+S   90.7305 57.3687 49.3437
+S   90.8117 57.3549 49.3390
+S   90.9652 57.3853 49.5346
+S   91.1316 57.3814 49.6878
+S   91.2068 57.3860 49.7244
+S   91.2736 57.5252 49.6672
+S   91.2693 57.4768 49.7056
+S   91.4097 57.4617 49.7554
+S   91.5352 57.4955 49.7540
+S   91.5707 57.5882 49.6264
+S   91.4511 57.6155 49.4715
+S   91.2921 57.6019 49.4498
+S   91.1453 57.6119 49.4826
+S   91.1685 57.7565 49.6260
+S   91.2441 57.8147 49.6566
+S   91.3729 57.7946 49.6934
+S   91.5575 57.7678 49.7246
+S   91.6921 57.6787 49.7384
+S   91.7389 57.5902 49.6871
+S   91.7309 57.6008 49.6963
+S   91.7562 57.7310 49.7272
+S   91.7793 57.6818 49.7354
+S   91.8428 57.5761 49.6925
+S   91.9063 57.5427 49.6535
+S   92.0042 57.5573 49.6204
+S   92.0829 57.5146 49.6001
+S   92.1451 57.5016 49.5979
+S   92.1358 57.4576 49.6862
+S   92.2749 57.5032 49.7833
+S   92.3844 57.4677 49.8112
+S   92.5271 57.4110 49.7916
+S   92.7072 57.3043 49.8137
+S   92.8338 57.2484 49.8564
+S   92.8297 57.2342 49.8765
+S   92.8168 57.1812 49.8327
+S   92.8021 57.1962 49.7842
+S   92.7651 57.2821 49.6647
+S   92.8251 57.3161 49.4985
+S   92.9386 57.2226 49.4347
+S   92.9153 57.0958 49.5059
+S   92.8836 56.9121 49.6323
+S   92.9213 56.7516 49.6168
+S   92.9916 56.6029 49.5614
+S   93.0063 56.4847 49.5521
+S   93.0839 56.4759 49.5361
+S   93.1403 56.4930 49.4907
+S   93.1494 56.4708 49.5204
+S   93.2081 56.4145 49.5859
+S   93.3267 56.3400 49.5062
+S   93.3718 56.2903 49.3691
+S   93.5420 56.1595 49.3621
+S   93.7149 55.9756 49.5090

4xe0_ligand_native_407/MCpath7.xyz ADDED Viewed

	@@ -0,0 +1,84 @@

+82
+82
+S   89.8093 57.9324 49.9515
+S   89.8563 58.0618 49.9734
+S   89.8297 58.1441 49.9539
+S   89.7856 58.0964 49.9293
+S   89.8436 58.0471 49.9383
+S   89.9396 58.0344 49.9353
+S   90.0324 58.0561 49.9388
+S   90.1272 58.0039 49.9781
+S   90.1602 57.9056 49.9771
+S   90.0388 57.8558 49.9221
+S   89.9700 57.8240 49.8934
+S   90.0495 57.7549 49.8938
+S   90.1319 57.7211 49.8484
+S   90.1682 57.6636 49.7084
+S   90.2716 57.6299 49.6559
+S   90.4386 57.6388 49.6843
+S   90.5597 57.6902 49.7209
+S   90.5831 57.7903 49.6803
+S   90.4898 57.8022 49.6520
+S   90.4303 57.8009 49.6587
+S   90.4075 57.7108 49.7425
+S   90.4018 57.6422 49.7537
+S   90.4342 57.5064 49.6283
+S   90.4801 57.4559 49.5224
+S   90.3940 57.4741 49.5372
+S   90.2654 57.4830 49.5737
+S   90.1611 57.5304 49.6076
+S   90.2331 57.6261 49.6459
+S   90.3888 57.7426 49.6413
+S   90.5439 57.8096 49.6260
+S   90.6600 57.6571 49.6323
+S   90.7206 57.5563 49.6408
+S   90.8939 57.5466 49.5445
+S   91.0724 57.5829 49.4830
+S   91.3516 57.5606 49.4218
+S   91.5980 57.5865 49.4395
+S   91.8122 57.5325 49.4029
+S   91.8063 57.4556 49.4217
+S   91.7046 57.5272 49.5109
+S   91.6761 57.5853 49.5595
+S   91.6263 57.6097 49.5536
+S   91.5770 57.4926 49.5201
+S   91.6060 57.3441 49.5276
+S   91.6864 57.3269 49.5914
+S   91.7241 57.2886 49.7063
+S   91.7627 57.1649 49.7757
+S   91.8168 57.0826 49.8261
+S   91.8138 57.1026 49.8169
+S   91.8406 57.2166 49.6753
+S   91.8534 57.3803 49.5580
+S   91.8693 57.4222 49.5010
+S   91.9136 57.4524 49.5732
+S   91.9839 57.4734 49.5655
+S   92.0742 57.4213 49.5420
+S   92.1391 57.4280 49.5634
+S   92.2009 57.4224 49.6635
+S   92.2331 57.3572 49.6205
+S   92.2635 57.3109 49.5089
+S   92.2671 57.2520 49.4793
+S   92.3082 57.2141 49.5029
+S   92.3796 57.1569 49.5435
+S   92.5293 57.0807 49.5527
+S   92.6558 56.8922 49.6169
+S   92.7326 56.6523 49.6909
+S   92.7934 56.5672 49.6825
+S   92.7662 56.5813 49.6697
+S   92.8337 56.5589 49.7350
+S   92.9966 56.5681 49.8189
+S   93.1068 56.5582 49.7339
+S   93.1178 56.4630 49.7038
+S   93.1218 56.4123 49.7373
+S   93.2239 56.3565 49.7547
+S   93.3545 56.3192 49.7294
+S   93.5346 56.2957 49.6058
+S   93.6826 56.3120 49.6710
+S   93.7232 56.2488 49.7020
+S   93.7772 56.1906 49.6652
+S   93.8671 56.2513 49.5795
+S   94.0424 56.2972 49.4920
+S   94.2077 56.2993 49.5050
+S   94.4749 56.2310 49.6264
+S   94.7481 56.1300 49.7110

4xe0_ligand_native_407/MCpath8.xyz ADDED Viewed

	@@ -0,0 +1,69 @@

+67
+67
+S   89.8929 57.7657 49.9627
+S   89.8491 57.8492 49.9757
+S   89.7673 57.9591 49.9136
+S   89.6764 57.9112 49.8873
+S   89.7325 57.8529 49.8624
+S   89.8885 57.9050 49.8289
+S   90.0388 57.9433 49.8022
+S   90.1361 57.8973 49.8391
+S   90.2179 57.8402 49.8422
+S   90.2761 57.7963 49.8184
+S   90.3786 57.7836 49.8007
+S   90.3370 57.7293 49.8322
+S   90.2213 57.6922 49.8536
+S   90.2554 57.8315 49.8309
+S   90.2887 57.9745 49.8546
+S   90.2603 57.9911 49.8808
+S   90.1417 57.8554 49.7834
+S   90.1709 57.7744 49.6528
+S   90.3590 57.7213 49.6371
+S   90.4886 57.6287 49.5861
+S   90.6128 57.5366 49.6238
+S   90.6190 57.3998 49.7408
+S   90.5399 57.3674 49.7070
+S   90.4638 57.4581 49.5601
+S   90.5037 57.5404 49.4918
+S   90.5304 57.5175 49.4481
+S   90.5730 57.4890 49.3456
+S   90.6860 57.5305 49.3898
+S   90.8004 57.5847 49.4821
+S   91.0483 57.5771 49.6810
+S   91.2828 57.4955 49.7914
+S   91.4431 57.5406 49.6894
+S   91.6543 57.6059 49.6382
+S   91.8637 57.6233 49.7520
+S   91.8640 57.6129 49.8170
+S   91.7762 57.6171 49.7302
+S   91.7255 57.5439 49.6541
+S   91.7009 57.4034 49.6422
+S   91.6422 57.2693 49.5785
+S   91.6508 57.1882 49.5827
+S   91.7206 57.1255 49.6239
+S   91.8358 57.1419 49.6656
+S   91.8423 57.1227 49.6034
+S   91.9364 57.1632 49.5642
+S   92.0770 57.1912 49.6029
+S   92.1642 57.1450 49.7030
+S   92.1736 57.0742 49.7195
+S   92.1129 57.0053 49.6340
+S   91.9410 56.8687 49.5265
+S   91.7752 56.7699 49.5127
+S   91.6425 56.7001 49.6353
+S   91.4836 56.5368 49.7284
+S   91.3988 56.4127 49.7168
+S   91.2784 56.2402 49.5832
+S   91.1518 56.0542 49.5089
+S   91.0725 55.9055 49.4794
+S   91.0916 55.7971 49.4733
+S   91.1207 55.7197 49.4454
+S   91.2030 55.6528 49.4969
+S   91.2934 55.6596 49.5439
+S   91.3454 55.7178 49.6061
+S   91.3878 55.6984 49.5918
+S   91.4920 55.6230 49.6263
+S   91.4892 55.5077 49.6527
+S   91.4867 55.3116 49.5794
+S   91.6363 55.0826 49.4638
+S   91.7620 54.9776 49.3454