Upload folder using huggingface_hub

.gitattributes

@@ -7356,3 +7356,53 @@
 1g35_ligand_a021_777_dock/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
 1g35_ligand_a021_777_dock/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
 1g35_ligand_a021_777_dock/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig1.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig10.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig11.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig12.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig13.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig14.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig15.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig16.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig17.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig18.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig19.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig2.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig20.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig21.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig22.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig23.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig24.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig25.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig26.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig27.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig28.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig29.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig3.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig30.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig31.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig32.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig33.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig34.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig35.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig36.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig37.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig38.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig39.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig4.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig40.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig41.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig42.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig43.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig44.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig45.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig47.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig50.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
+1lf5_ligand_GppNHp_197_dock1/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text

1lf5_ligand_GppNHp_197_dock1/MCpath1.xyz

@@ -0,0 +1,141 @@
+139
+139
+S   34.9697 35.0903 38.9684
+S   35.0157 35.1146 38.9660
+S   35.0124 35.1151 38.9062
+S   35.0403 35.1181 38.8292
+S   35.0461 35.1324 38.7414
+S   35.0030 35.1007 38.7216
+S   34.9358 35.0575 38.7570
+S   34.9905 35.0418 38.8038
+S   35.0381 35.0828 38.8240
+S   35.0231 35.1462 38.8585
+S   34.9893 35.2274 38.8918
+S   34.9537 35.2600 38.8179
+S   34.8658 35.3223 38.8586
+S   34.7952 35.3920 38.7936
+S   34.7126 35.4290 38.7787
+S   34.7775 35.4381 38.7648
+S   34.7541 35.4153 38.6916
+S   34.7347 35.4664 38.6873
+S   34.6951 35.5364 38.6822
+S   34.6537 35.6221 38.7266
+S   34.6872 35.6651 38.7985
+S   34.6059 35.6992 38.8362
+S   34.5909 35.6763 38.8215
+S   34.5706 35.7160 38.7430
+S   34.4959 35.5681 38.7014
+S   34.4863 35.4805 38.7613
+S   34.5509 35.5798 38.7110
+S   34.7219 35.6102 38.6398
+S   34.8107 35.6128 38.6585
+S   34.8779 35.5567 38.6584
+S   34.8846 35.5827 38.6495
+S   34.8415 35.5708 38.7347
+S   34.7290 35.6075 38.7943
+S   34.5740 35.5077 38.7549
+S   34.5093 35.4510 38.7811
+S   34.3607 35.4426 38.8168
+S   34.2453 35.3986 38.8018
+S   34.1810 35.3286 38.7894
+S   34.1438 35.1528 38.7506
+S   34.0751 35.0533 38.6826
+S   33.9433 35.0057 38.6386
+S   33.8397 34.9143 38.6530
+S   33.8387 34.8035 38.6474
+S   33.8537 34.5976 38.6305
+S   33.8771 34.4703 38.6772
+S   33.9106 34.2927 38.7170
+S   33.8336 34.1526 38.6874
+S   33.8026 34.0907 38.6254
+S   33.8183 34.0459 38.5817
+S   33.8873 34.0120 38.6866
+S   33.8792 34.0205 38.7341
+S   33.8720 34.0459 38.7659
+S   33.8982 34.0105 38.8919
+S   33.9657 34.0953 39.0764
+S   34.0148 34.1609 39.2106
+S   34.0948 34.1412 39.3057
+S   34.1434 34.0941 39.3286
+S   34.2220 34.0693 39.3266
+S   34.2732 34.0308 39.3862
+S   34.3734 33.9282 39.4115
+S   34.4008 33.8258 39.5183
+S   34.4016 33.7381 39.5382
+S   34.4068 33.7458 39.6442
+S   34.4480 33.7003 39.7720
+S   34.5059 33.5785 39.8687
+S   34.5801 33.4167 39.9360
+S   34.5890 33.2894 39.9951
+S   34.6389 33.1891 40.0397
+S   34.5718 33.2439 40.0116
+S   34.5747 33.2198 40.0022
+S   34.6051 33.2227 39.9983
+S   34.6449 33.2124 40.0279
+S   34.7142 33.2067 40.0305
+S   34.8119 33.1031 39.9571
+S   34.7884 32.9477 39.9045
+S   34.6022 32.7790 39.7088
+S   34.4084 32.6214 39.6508
+S   34.3012 32.5165 39.7037
+S   34.1780 32.5003 39.6835
+S   34.1720 32.5053 39.6179
+S   34.0144 32.5118 39.5499
+S   33.8814 32.4415 39.4557
+S   33.7317 32.3596 39.4322
+S   33.5277 32.3436 39.5171
+S   33.4393 32.4613 39.5894
+S   33.4501 32.5613 39.6525
+S   33.4754 32.5981 39.6530
+S   33.4207 32.4801 39.6530
+S   33.3640 32.4443 39.6388
+S   33.1826 32.3745 39.6362
+S   32.9946 32.3711 39.6614
+S   32.8539 32.3839 39.6776
+S   32.7457 32.4258 39.7502
+S   32.7345 32.3935 39.8255
+S   32.7256 32.3810 39.7469
+S   32.6719 32.4234 39.6063
+S   32.5706 32.5037 39.5570
+S   32.5562 32.5430 39.4751
+S   32.6702 32.5187 39.4161
+S   32.7284 32.4936 39.4009
+S   32.5946 32.4006 39.5025
+S   32.3993 32.3036 39.6309
+S   32.2584 32.1634 39.6682
+S   32.3449 32.0061 39.6325
+S   32.4139 31.8462 39.6349
+S   32.4710 31.7202 39.6807
+S   32.5374 31.6329 39.7809
+S   32.5441 31.5147 39.8465
+S   32.4706 31.3668 39.9010
+S   32.4884 31.3046 39.9382
+S   32.5077 31.2561 39.8543
+S   32.4147 31.2190 39.7610
+S   32.4626 31.1618 39.6422
+S   32.4974 31.1224 39.5134
+S   32.5742 31.1526 39.3363
+S   32.6495 31.1982 39.2151
+S   32.7545 31.1941 39.2127
+S   32.7933 31.1792 39.3074
+S   32.7985 31.1040 39.3674
+S   32.8141 31.0102 39.3621
+S   32.7351 30.8461 39.2988
+S   32.7336 30.6824 39.1926
+S   32.7675 30.4965 39.2505
+S   32.7594 30.2593 39.3035
+S   32.7337 30.1556 39.3095
+S   32.6390 30.0891 39.3800
+S   32.5718 30.0611 39.3501
+S   32.5543 29.9962 39.3134
+S   32.5563 29.9292 39.3256
+S   32.5749 29.9200 39.2814
+S   32.5188 29.9465 39.3302
+S   32.4413 29.8834 39.3943
+S   32.3970 29.8099 39.4666
+S   32.3589 29.7823 39.4993
+S   32.3849 29.7130 39.6159
+S   32.3591 29.6257 39.6783
+S   32.2977 29.5004 39.6970
+S   32.2773 29.4150 39.7082
+S   32.2152 29.2281 39.7977

1lf5_ligand_GppNHp_197_dock1/MCpath10.xyz

@@ -0,0 +1,212 @@
+210
+210
+S   34.9998 35.2418 38.8659
+S   34.9719 35.1855 38.8458
+S   34.9513 35.1619 38.8119
+S   34.9584 35.1985 38.6992
+S   34.9836 35.1758 38.6488
+S   34.9603 35.1321 38.7223
+S   34.9798 35.1538 38.7863
+S   34.9473 35.1314 38.8372
+S   34.8744 35.1030 38.8745
+S   34.7746 35.0638 38.8331
+S   34.7981 34.9891 38.7304
+S   34.7825 34.9470 38.6799
+S   34.7193 34.9352 38.6658
+S   34.6507 34.8907 38.6395
+S   34.6560 34.8266 38.7113
+S   34.8116 34.7649 38.7472
+S   34.8970 34.8142 38.7646
+S   34.9475 34.8967 38.6357
+S   34.9962 34.8651 38.5536
+S   35.0135 34.8170 38.5682
+S   34.9992 34.7878 38.6346
+S   34.8950 34.8592 38.6370
+S   34.7982 34.8258 38.6731
+S   34.7081 34.7320 38.6870
+S   34.6571 34.7903 38.6854
+S   34.5917 34.7683 38.6728
+S   34.4952 34.7025 38.6974
+S   34.4230 34.5875 38.7541
+S   34.3683 34.4428 38.7201
+S   34.3999 34.4705 38.7627
+S   34.4853 34.5055 38.8097
+S   34.4875 34.4767 38.7324
+S   34.4691 34.4251 38.6477
+S   34.4581 34.3781 38.6603
+S   34.4020 34.3467 38.7387
+S   34.3673 34.2812 38.8037
+S   34.4285 34.2188 38.8308
+S   34.5387 34.2128 38.8827
+S   34.6059 34.1243 38.8264
+S   34.5344 34.0195 38.7793
+S   34.4177 33.8805 38.7582
+S   34.4167 33.6447 38.7080
+S   34.5065 33.4057 38.7211
+S   34.5932 33.2548 38.9067
+S   34.5915 33.1434 39.1057
+S   34.6092 33.1380 39.2194
+S   34.6621 33.1925 39.3981
+S   34.6531 33.1827 39.5250
+S   34.6835 33.1390 39.6301
+S   34.7403 33.1387 39.7926
+S   34.6700 33.0960 39.7698
+S   34.6584 33.0939 39.8198
+S   34.6217 33.0822 39.8033
+S   34.5891 33.1110 39.7327
+S   34.4243 33.1055 39.6893
+S   34.3694 33.0772 39.6765
+S   34.4176 33.0559 39.7447
+S   34.4127 33.0174 39.6566
+S   34.4376 32.9160 39.6470
+S   34.4485 32.7989 39.5843
+S   34.5018 32.6354 39.5643
+S   34.5997 32.5418 39.5199
+S   34.6296 32.4723 39.5449
+S   34.6274 32.3811 39.4739
+S   34.6052 32.2110 39.4490
+S   34.6250 32.0790 39.5721
+S   34.6629 31.9593 39.6693
+S   34.6211 31.8237 39.7003
+S   34.5036 31.7243 39.6934
+S   34.3739 31.6828 39.7177
+S   34.4571 31.7251 39.7474
+S   34.5947 31.7590 39.7790
+S   34.6695 31.7512 39.8152
+S   34.7283 31.7233 39.7559
+S   34.9171 31.6534 39.7822
+S   35.0352 31.6300 39.7774
+S   35.0534 31.5636 39.6826
+S   35.0257 31.4821 39.6580
+S   34.9173 31.4550 39.5627
+S   34.7552 31.4250 39.5456
+S   34.6648 31.4096 39.5662
+S   34.5104 31.4440 39.6714
+S   34.4630 31.5386 39.7170
+S   34.4125 31.5254 39.7045
+S   34.4267 31.5309 39.7613
+S   34.4489 31.5720 39.7490
+S   34.4439 31.5762 39.7191
+S   34.4814 31.5302 39.6716
+S   34.4825 31.5319 39.6140
+S   34.3966 31.4855 39.5692
+S   34.2958 31.3987 39.5223
+S   34.3262 31.3993 39.5778
+S   34.3101 31.3963 39.6278
+S   34.2375 31.3573 39.6478
+S   34.1955 31.3547 39.6300
+S   34.1581 31.3373 39.6142
+S   34.0967 31.3182 39.5932
+S   33.9270 31.3849 39.5315
+S   33.6405 31.4296 39.6520
+S   33.3170 31.4252 39.7065
+S   33.0305 31.3937 39.7849
+S   32.9114 31.4311 39.9026
+S   32.9307 31.5868 39.9833
+S   32.9165 31.7976 39.9409
+S   32.8735 31.9955 39.9743
+S   32.8331 32.1622 39.9905
+S   32.8504 32.3313 40.0412
+S   32.7560 32.4378 39.9979
+S   32.6289 32.5216 40.0003
+S   32.5228 32.5316 39.9531
+S   32.4587 32.4864 39.9268
+S   32.4163 32.5309 39.9538
+S   32.4096 32.5994 40.0288
+S   32.2771 32.6982 39.9449
+S   32.1354 32.8566 39.8460
+S   32.0148 32.9007 39.7815
+S   31.9332 32.8863 39.7591
+S   31.9865 32.9081 39.7183
+S   32.0693 32.8543 39.7706
+S   32.1564 32.7250 39.8403
+S   32.0913 32.6497 39.9441
+S   32.0685 32.6027 39.9484
+S   32.0609 32.5462 39.9836
+S   32.0632 32.5523 40.1152
+S   32.0257 32.6678 40.1672
+S   31.9813 32.5825 40.2404
+S   31.9405 32.6012 40.3832
+S   31.9082 32.5860 40.5675
+S   31.8117 32.5442 40.7106
+S   31.8178 32.5851 40.8022
+S   31.8826 32.5595 40.7747
+S   31.8840 32.5199 40.7593
+S   31.8455 32.3727 40.7417
+S   31.8775 32.2995 40.8048
+S   31.8286 32.3056 40.8911
+S   31.6731 32.2956 40.9064
+S   31.5508 32.1825 40.9650
+S   31.5429 32.0029 40.8965
+S   31.5375 31.8429 40.8843
+S   31.5181 31.7533 40.8765
+S   31.5035 31.6954 40.8773
+S   31.5181 31.6258 40.8660
+S   31.5134 31.5122 40.8855
+S   31.4913 31.4621 40.8637
+S   31.4525 31.3275 40.7898
+S   31.4648 31.2431 40.8084
+S   31.4590 31.2472 40.7657
+S   31.4734 31.1976 40.7564
+S   31.5180 31.1604 40.7230
+S   31.6300 31.1806 40.7723
+S   31.6868 31.1497 40.6965
+S   31.7571 30.9604 40.7120
+S   31.8632 30.7158 40.6882
+S   31.9438 30.4088 40.7144
+S   31.9481 30.1518 40.6636
+S   31.9305 30.0121 40.6114
+S   31.9396 29.8950 40.5433
+S   31.9418 29.8479 40.5211
+S   32.0253 29.8034 40.5794
+S   32.0747 29.8811 40.5401
+S   32.1660 29.9406 40.4275
+S   32.1963 29.9637 40.5062
+S   32.3453 29.9731 40.6175
+S   32.4819 30.0082 40.6822
+S   32.6666 29.9916 40.6865
+S   32.7909 30.0033 40.5411
+S   32.8867 29.9740 40.4193
+S   32.9632 29.9413 40.4735
+S   33.0334 29.9652 40.5041
+S   33.1872 29.8598 40.5001
+S   33.2768 29.7053 40.4611
+S   33.3499 29.6206 40.5314
+S   33.4209 29.5380 40.6149
+S   33.5163 29.5059 40.7093
+S   33.6034 29.5156 40.8072
+S   33.5959 29.5268 40.8911
+S   33.6259 29.4770 41.0016
+S   33.6739 29.4068 41.0473
+S   33.7911 29.3820 41.0125
+S   33.7950 29.3755 40.9389
+S   33.8496 29.3023 40.8561
+S   33.8558 29.2503 40.8107
+S   33.8124 29.2169 40.7677
+S   33.8006 29.1756 40.7523
+S   33.8044 28.9401 40.6857
+S   33.7490 28.8000 40.6481
+S   33.6984 28.6446 40.6407
+S   33.6493 28.3859 40.6599
+S   33.5400 28.3153 40.6924
+S   33.5374 28.3047 40.7821
+S   33.6259 28.3107 40.8290
+S   33.6249 28.3313 40.8291
+S   33.6528 28.2874 40.7699
+S   33.6506 28.2233 40.6894
+S   33.6253 28.1947 40.7316
+S   33.6949 28.1399 40.7513
+S   33.5770 28.0558 40.7452
+S   33.4937 28.0040 40.7531
+S   33.5368 27.9911 40.7877
+S   33.6016 27.9732 40.7502
+S   33.6807 27.8885 40.7492
+S   33.6496 27.7890 40.7514
+S   33.5375 27.7947 40.7359
+S   33.5221 27.8377 40.6859
+S   33.4694 27.8249 40.6958
+S   33.3980 27.7496 40.7057
+S   33.4263 27.6233 40.7397
+S   33.4678 27.5062 40.7795
+S   33.4648 27.3865 40.7869
+S   33.4920 27.2004 40.8150

1lf5_ligand_GppNHp_197_dock1/MCpath11.xyz

@@ -0,0 +1,317 @@
+315
+315
+S   35.0545 35.2393 39.0108
+S   35.0183 35.2061 38.9863
+S   34.9774 35.2098 38.9713
+S   34.9659 35.2667 38.9590
+S   34.9972 35.2591 38.9322
+S   35.0238 35.2585 38.9083
+S   34.9545 35.2096 38.8987
+S   34.8203 35.2353 38.8313
+S   34.8879 35.3093 38.8196
+S   34.9756 35.4310 38.8658
+S   34.9817 35.5058 38.8248
+S   34.8460 35.4771 38.8442
+S   34.8050 35.3849 38.8120
+S   34.8193 35.3732 38.6574
+S   34.8136 35.4141 38.6024
+S   34.7442 35.4006 38.6161
+S   34.7295 35.3825 38.6945
+S   34.6520 35.4422 38.7729
+S   34.6028 35.5150 38.8951
+S   34.5369 35.5269 38.9675
+S   34.5639 35.5513 38.9960
+S   34.6118 35.6202 38.9611
+S   34.5861 35.7524 38.9152
+S   34.5336 35.7858 38.8521
+S   34.5173 35.7101 38.7661
+S   34.5937 35.7026 38.7368
+S   34.6597 35.7606 38.7165
+S   34.7330 35.7105 38.6452
+S   34.7469 35.6244 38.5058
+S   34.8443 35.5137 38.3730
+S   34.8939 35.4686 38.3482
+S   34.8924 35.4475 38.4323
+S   34.8776 35.4162 38.4909
+S   34.8403 35.3469 38.5346
+S   34.8085 35.2375 38.5237
+S   34.8625 35.2533 38.5807
+S   34.7810 35.3442 38.7048
+S   34.7456 35.4403 38.7194
+S   34.7197 35.4783 38.6460
+S   34.7781 35.4852 38.6494
+S   34.7826 35.5368 38.6784
+S   34.7402 35.5460 38.5785
+S   34.7561 35.5691 38.5345
+S   34.7482 35.6177 38.5232
+S   34.7565 35.5909 38.5458
+S   34.7810 35.5222 38.5321
+S   34.7345 35.4770 38.5202
+S   34.6261 35.4847 38.5098
+S   34.6268 35.5088 38.5648
+S   34.6179 35.5548 38.6117
+S   34.6629 35.5443 38.5218
+S   34.6311 35.6588 38.5083
+S   34.5716 35.7423 38.5735
+S   34.5208 35.7554 38.6116
+S   34.4382 35.7868 38.5773
+S   34.4093 35.7512 38.5506
+S   34.3831 35.6903 38.5811
+S   34.3770 35.6532 38.5209
+S   34.4205 35.6519 38.5075
+S   34.3732 35.6782 38.4718
+S   34.4640 35.6556 38.4530
+S   34.5009 35.7605 38.5077
+S   34.4834 35.7791 38.5305
+S   34.4616 35.7109 38.5118
+S   34.3733 35.6260 38.4997
+S   34.2927 35.6251 38.4538
+S   34.2787 35.6284 38.5150
+S   34.2464 35.6186 38.5628
+S   34.2133 35.5243 38.5705
+S   34.2791 35.4360 38.5110
+S   34.3058 35.3586 38.4861
+S   34.2797 35.3512 38.4601
+S   34.3599 35.3370 38.5210
+S   34.4382 35.2838 38.4870
+S   34.4159 35.2521 38.4403
+S   34.4328 35.2181 38.5210
+S   34.4652 35.3051 38.5060
+S   34.5265 35.4236 38.4935
+S   34.5445 35.4148 38.4948
+S   34.6237 35.4075 38.4221
+S   34.6239 35.3989 38.4389
+S   34.6183 35.3435 38.4598
+S   34.5729 35.3215 38.4679
+S   34.5723 35.2419 38.5198
+S   34.6655 35.2590 38.5467
+S   34.7251 35.4531 38.5762
+S   34.6028 35.5987 38.6459
+S   34.5471 35.7000 38.7110
+S   34.5958 35.6455 38.8055
+S   34.5833 35.5369 38.7823
+S   34.4973 35.5000 38.6681
+S   34.4119 35.4746 38.5980
+S   34.4369 35.5686 38.5721
+S   34.4454 35.5976 38.5548
+S   34.4236 35.5339 38.6611
+S   34.4531 35.4039 38.6885
+S   34.5417 35.4358 38.5675
+S   34.5215 35.4355 38.4861
+S   34.4024 35.3792 38.5000
+S   34.3423 35.3365 38.4560
+S   34.3118 35.1861 38.3569
+S   34.3664 35.2242 38.3001
+S   34.4649 35.2474 38.3029
+S   34.6014 35.1928 38.3911
+S   34.6523 35.1863 38.4916
+S   34.4923 35.2324 38.6154
+S   34.4038 35.2844 38.6757
+S   34.4092 35.3713 38.5891
+S   34.3705 35.4260 38.4815
+S   34.3285 35.3227 38.4994
+S   34.2972 35.2867 38.4319
+S   34.3490 35.4325 38.3507
+S   34.3576 35.5412 38.3323
+S   34.3686 35.5907 38.3657
+S   34.3782 35.5833 38.3846
+S   34.4780 35.6177 38.3527
+S   34.5971 35.6829 38.3785
+S   34.6794 35.6707 38.4057
+S   34.6805 35.6604 38.2924
+S   34.7141 35.6258 38.1949
+S   34.6744 35.6836 38.1661
+S   34.6312 35.5800 38.1387
+S   34.5989 35.5326 38.2235
+S   34.5182 35.5580 38.3233
+S   34.4686 35.5331 38.2958
+S   34.5562 35.5397 38.3590
+S   34.5642 35.5679 38.3647
+S   34.5684 35.4445 38.3614
+S   34.5056 35.3346 38.4664
+S   34.4364 35.3640 38.4415
+S   34.4685 35.3929 38.4759
+S   34.5365 35.4299 38.5515
+S   34.4883 35.5002 38.5456
+S   34.4342 35.6079 38.5910
+S   34.4315 35.6204 38.6241
+S   34.3816 35.6367 38.6698
+S   34.2853 35.6285 38.6464
+S   34.2213 35.7108 38.6502
+S   34.1645 35.7172 38.5943
+S   33.9026 35.6964 38.5499
+S   33.4622 35.5525 38.6118
+S   32.9968 35.4596 38.7044
+S   32.7759 35.3974 38.8178
+S   32.6284 35.3780 38.8632
+S   32.5182 35.3541 38.9253
+S   32.4028 35.3392 38.9030
+S   32.3270 35.2841 38.9150
+S   32.3333 35.2015 39.0454
+S   32.1812 35.3047 39.1682
+S   32.2300 35.4245 39.2059
+S   32.3333 35.3976 39.2978
+S   32.4248 35.3672 39.4324
+S   32.3947 35.2803 39.6732
+S   32.4526 35.2855 39.7946
+S   32.5509 35.3619 39.8741
+S   32.5974 35.3847 39.9665
+S   32.5130 35.3501 40.0859
+S   32.4212 35.3405 40.2224
+S   32.5424 35.2880 40.3282
+S   32.7276 35.1768 40.3385
+S   32.9503 35.1037 40.3342
+S   33.1180 35.0679 40.3981
+S   33.3129 35.0766 40.4632
+S   33.4800 34.9767 40.6783
+S   33.5355 34.7696 40.8740
+S   33.5629 34.5499 41.0579
+S   33.5589 34.4549 41.2233
+S   33.6404 34.4748 41.2678
+S   33.7140 34.5807 41.1904
+S   33.6901 34.6459 41.0300
+S   33.7610 34.5529 41.0289
+S   33.7946 34.4641 41.1488
+S   33.7816 34.4592 41.1801
+S   33.7340 34.4617 41.1355
+S   33.6451 34.4081 41.1287
+S   33.6622 34.3808 41.1555
+S   33.7447 34.4183 41.1110
+S   33.8151 34.5310 41.1599
+S   33.7965 34.5603 41.1399
+S   33.7819 34.5109 41.0523
+S   33.6840 34.4464 41.1175
+S   33.5934 34.4576 41.2673
+S   33.5265 34.5473 41.3870
+S   33.3764 34.5330 41.4946
+S   33.4238 34.4380 41.6469
+S   33.4434 34.4765 41.7149
+S   33.4559 34.5182 41.7877
+S   33.4906 34.4990 41.8188
+S   33.5008 34.4032 41.8425
+S   33.4479 34.3626 41.8488
+S   33.3350 34.2885 41.8594
+S   33.1805 34.1924 41.8474
+S   33.2005 34.1176 41.7753
+S   33.2697 33.9503 41.6491
+S   33.3629 33.7496 41.5828
+S   33.3197 33.5240 41.6087
+S   33.2495 33.3099 41.5294
+S   33.1915 33.1436 41.3476
+S   33.2126 33.0459 41.2547
+S   33.2828 32.9282 41.1546
+S   33.2939 32.8430 41.0813
+S   33.2389 32.7926 41.1643
+S   33.2379 32.8187 41.1617
+S   33.2424 32.8304 41.2326
+S   33.2036 32.7507 41.3222
+S   33.1509 32.7403 41.2905
+S   33.1194 32.7614 41.3691
+S   33.0339 32.7541 41.4366
+S   32.8879 32.8554 41.3598
+S   32.6844 32.9987 41.3362
+S   32.5922 33.0545 41.2961
+S   32.5168 33.0453 41.3801
+S   32.4283 32.9782 41.4186
+S   32.3353 32.8821 41.5123
+S   32.2463 32.6995 41.4738
+S   32.1412 32.6117 41.4486
+S   32.0600 32.6235 41.4819
+S   31.9990 32.7376 41.5310
+S   31.9107 32.7994 41.5052
+S   31.8890 32.8218 41.6605
+S   31.8198 32.8555 41.7434
+S   31.8112 32.8526 41.8386
+S   31.8323 32.8085 41.8925
+S   31.8333 32.8024 41.8482
+S   31.7279 32.7628 41.7973
+S   31.5931 32.6877 41.6430
+S   31.5558 32.6788 41.5744
+S   31.5909 32.6849 41.6217
+S   31.5927 32.7455 41.6583
+S   31.6352 32.7873 41.6756
+S   31.6611 32.7828 41.7686
+S   31.6636 32.7754 41.8038
+S   31.5788 32.7382 41.6960
+S   31.4436 32.7123 41.6081
+S   31.3349 32.5914 41.5951
+S   31.3190 32.4685 41.6245
+S   31.2808 32.4552 41.6563
+S   31.2657 32.3777 41.7195
+S   31.1762 32.3342 41.8756
+S   31.0875 32.2753 42.0275
+S   31.0701 32.2213 42.1159
+S   31.0861 32.1924 42.2767
+S   31.0200 32.2026 42.5018
+S   31.0116 32.1877 42.6253
+S   30.9949 32.1296 42.6911
+S   30.9068 32.1112 42.7770
+S   30.8732 32.1301 42.8670
+S   30.8466 32.0675 42.8704
+S   30.8492 32.0244 42.8976
+S   30.8435 31.9567 42.8955
+S   30.8722 31.9099 42.9529
+S   30.8865 31.8501 42.9842
+S   30.8367 31.7636 42.9851
+S   30.7390 31.6409 42.9022
+S   30.5556 31.5098 42.9625
+S   30.3668 31.3996 42.9646
+S   30.2834 31.2312 42.9120
+S   30.3640 31.0854 42.7951
+S   30.5300 31.0286 42.7202
+S   30.6389 30.9699 42.6722
+S   30.6799 30.9462 42.6258
+S   30.8368 30.9555 42.5845
+S   30.9138 30.9230 42.5049
+S   30.9583 30.8585 42.4252
+S   30.9315 30.8537 42.2986
+S   30.9665 30.8557 42.3049
+S   31.0193 30.8181 42.3024
+S   31.0600 30.7236 42.2998
+S   30.9986 30.6217 42.2888
+S   30.9523 30.4866 42.2954
+S   30.8366 30.4347 42.2901
+S   30.6623 30.3836 42.2589
+S   30.6362 30.3347 42.3084
+S   30.6790 30.2863 42.3719
+S   30.6313 30.2833 42.3074
+S   30.6365 30.2124 42.2847
+S   30.7180 30.1573 42.2397
+S   30.8407 30.1579 42.2507
+S   30.9274 30.1689 42.2569
+S   30.9602 30.2216 42.2538
+S   30.9863 30.1499 42.3111
+S   30.9777 30.0548 42.3951
+S   31.0050 29.9645 42.4497
+S   30.9927 29.8197 42.4354
+S   31.0634 29.7029 42.4766
+S   31.0627 29.6352 42.5333
+S   30.9375 29.5146 42.5783
+S   30.7711 29.3560 42.6256
+S   30.6806 29.2333 42.7261
+S   30.6309 29.1677 42.7755
+S   30.6344 29.0784 42.7797
+S   30.6107 29.0121 42.7468
+S   30.5590 29.0791 42.7699
+S   30.5628 29.0760 42.8934
+S   30.6201 28.9377 42.9064
+S   30.5702 28.8316 42.7302
+S   30.5710 28.6419 42.6048
+S   30.5129 28.4337 42.5183
+S   30.3521 28.2575 42.4941
+S   30.1754 28.1011 42.4375
+S   30.0997 27.9941 42.3335
+S   30.1073 27.8956 42.3267
+S   30.1217 27.8353 42.3951
+S   30.0376 27.8237 42.5292
+S   30.0141 27.8492 42.6631
+S   29.9210 27.8794 42.6556
+S   29.8300 27.9030 42.6622
+S   29.8021 27.9072 42.6331
+S   29.8022 27.8623 42.6195
+S   29.7048 27.7542 42.5739
+S   29.6745 27.7485 42.5214
+S   29.6391 27.6881 42.5333
+S   29.4932 27.7021 42.5561
+S   29.3338 27.7236 42.6049
+S   29.2032 27.7545 42.6921

1lf5_ligand_GppNHp_197_dock1/MCpath12.xyz

@@ -0,0 +1,202 @@
+200
+200
+S   35.1044 35.2417 38.8773
+S   35.1194 35.2393 38.8922
+S   35.1748 35.2682 38.8990
+S   35.2393 35.3310 38.8840
+S   35.2896 35.4297 38.8416
+S   35.2551 35.4353 38.8080
+S   35.2282 35.3255 38.7919
+S   35.2476 35.2754 38.7272
+S   35.2243 35.2873 38.7589
+S   35.2538 35.2646 38.7963
+S   35.2206 35.2698 38.7629
+S   35.2255 35.2975 38.7563
+S   35.1700 35.3255 38.7625
+S   35.2563 35.3030 38.7264
+S   35.3573 35.3037 38.8015
+S   35.3863 35.3714 38.8983
+S   35.4313 35.4118 38.9371
+S   35.5152 35.4192 38.9453
+S   35.5633 35.4436 38.9753
+S   35.5939 35.5963 38.8490
+S   35.5901 35.6581 38.6621
+S   35.5829 35.6369 38.5469
+S   35.6120 35.5424 38.5584
+S   35.7135 35.4534 38.6771
+S   35.6808 35.3679 38.7780
+S   35.4979 35.2889 38.6616
+S   35.3725 35.2294 38.5717
+S   35.4594 35.0972 38.5118
+S   35.5470 34.7690 38.4855
+S   35.5394 34.5264 38.5567
+S   35.5349 34.2367 38.5774
+S   35.4859 34.0517 38.6752
+S   35.4369 34.0540 38.7637
+S   35.4342 34.0495 38.7505
+S   35.4124 34.0999 38.7902
+S   35.4074 34.2203 38.7661
+S   35.3641 34.2485 38.7035
+S   35.3366 34.2778 38.6106
+S   35.4748 34.2435 38.4769
+S   35.5714 34.3071 38.4222
+S   35.6094 34.2538 38.5130
+S   35.6192 34.1961 38.4751
+S   35.5911 34.0821 38.4097
+S   35.5929 33.9722 38.4055
+S   35.5900 33.9104 38.4461
+S   35.6278 33.7944 38.3777
+S   35.6595 33.7019 38.4127
+S   35.6090 33.5812 38.4674
+S   35.5743 33.3537 38.4410
+S   35.5848 33.2452 38.4623
+S   35.6218 33.1825 38.5107
+S   35.6261 33.2347 38.5204
+S   35.6034 33.2587 38.4717
+S   35.6114 33.1188 38.4772
+S   35.5900 33.0239 38.4439
+S   35.5405 33.0336 38.4165
+S   35.5216 32.9869 38.3366
+S   35.4063 32.8521 38.3348
+S   35.3786 32.7777 38.3540
+S   35.3266 32.6832 38.5253
+S   35.3515 32.6164 38.5508
+S   35.3134 32.4625 38.5553
+S   35.2872 32.2741 38.5575
+S   35.2065 32.1087 38.5098
+S   35.1346 32.0690 38.4724
+S   35.0356 32.1011 38.5269
+S   34.8635 32.2047 38.5697
+S   34.8337 32.2425 38.6818
+S   34.7607 32.2838 38.7579
+S   34.5639 32.2788 38.6602
+S   34.5197 32.2288 38.5426
+S   34.5626 32.1798 38.4893
+S   34.6210 32.0946 38.4805
+S   34.6437 31.9497 38.5975
+S   34.6630 31.8922 38.7626
+S   34.6573 31.7922 38.7876
+S   34.6823 31.6767 38.7909
+S   34.6356 31.6675 38.7798
+S   34.5832 31.6673 38.7875
+S   34.5805 31.6004 38.8710
+S   34.4564 31.5192 38.8784
+S   34.3211 31.4521 38.8289
+S   34.2429 31.4061 38.7789
+S   34.1231 31.4753 38.6929
+S   34.1380 31.5210 38.6700
+S   34.1277 31.6461 38.7974
+S   34.0835 31.7655 38.9049
+S   33.9825 31.8080 39.0153
+S   33.9535 31.7704 39.0596
+S   33.9416 31.7913 39.0634
+S   33.8128 31.7982 39.0176
+S   33.7585 31.8556 38.9940
+S   33.7531 31.8255 39.0687
+S   33.6604 31.7283 39.1676
+S   33.5984 31.6668 39.2980
+S   33.5180 31.5711 39.3941
+S   33.3902 31.5459 39.5506
+S   33.3342 31.4622 39.7200
+S   33.2420 31.5403 39.9503
+S   33.2340 31.6181 40.0284
+S   33.1001 31.6555 40.0434
+S   33.1103 31.7043 40.0939
+S   33.2086 31.7372 40.0990
+S   33.2828 31.8025 40.1813
+S   33.3264 31.8380 40.3169
+S   33.3421 31.9078 40.4744
+S   33.3945 31.9400 40.6113
+S   33.4533 31.9718 40.6965
+S   33.5020 32.0671 40.7833
+S   33.5320 32.0205 40.9223
+S   33.4433 31.9781 40.9498
+S   33.3706 31.8194 40.9729
+S   33.4328 31.6330 40.9478
+S   33.5488 31.4806 40.9747
+S   33.5222 31.4407 41.0425
+S   33.4307 31.4181 41.0544
+S   33.3785 31.3741 41.1258
+S   33.4661 31.3544 41.1948
+S   33.5203 31.3152 41.2426
+S   33.6054 31.3095 41.3083
+S   33.6589 31.2994 41.4603
+S   33.6875 31.1699 41.5440
+S   33.7192 30.9746 41.4365
+S   33.7300 30.7994 41.4409
+S   33.7289 30.6051 41.4676
+S   33.7817 30.5345 41.5013
+S   33.7873 30.5552 41.5869
+S   33.7686 30.4581 41.5935
+S   33.7196 30.3379 41.6212
+S   33.6589 30.1969 41.6696
+S   33.5725 30.0836 41.7157
+S   33.6040 30.0397 41.6598
+S   33.6873 29.9484 41.6319
+S   33.6914 29.8496 41.6462
+S   33.6953 29.7933 41.6967
+S   33.6284 29.7646 41.7699
+S   33.5898 29.7813 41.7603
+S   33.5778 29.7841 41.7417
+S   33.6659 29.6923 41.6992
+S   33.7399 29.5950 41.5806
+S   33.7857 29.6714 41.4941
+S   33.7689 29.7191 41.3981
+S   33.7595 29.7179 41.4209
+S   33.7953 29.7330 41.4011
+S   33.9147 29.7409 41.4123
+S   33.9495 29.6290 41.3832
+S   33.9333 29.4213 41.3812
+S   33.8619 29.2985 41.3122
+S   33.8600 29.2351 41.3099
+S   33.8985 29.1158 41.3566
+S   33.9926 29.0343 41.3859
+S   34.0699 28.9696 41.2999
+S   34.2026 28.9924 41.2129
+S   34.2449 28.9415 41.1662
+S   34.2611 28.9638 41.1735
+S   34.2192 29.0337 41.1742
+S   34.2013 29.0979 41.1816
+S   34.1865 29.1310 41.1952
+S   34.2643 29.0608 41.1800
+S   34.3428 29.0300 41.1287
+S   34.4640 28.9460 41.1582
+S   34.4980 28.8815 41.1821
+S   34.5307 28.7508 41.2385
+S   34.5446 28.6187 41.2773
+S   34.4907 28.5484 41.2636
+S   34.4390 28.4767 41.3433
+S   34.3918 28.3355 41.3999
+S   34.3815 28.1877 41.4941
+S   34.3048 28.1342 41.4864
+S   34.2651 28.1697 41.5093
+S   34.3091 28.1905 41.5788
+S   34.2861 28.1613 41.5126
+S   34.2723 28.1523 41.4726
+S   34.2744 28.1046 41.5403
+S   34.3002 28.0005 41.5944
+S   34.3834 27.8520 41.5594
+S   34.3511 27.6776 41.4655
+S   34.2617 27.5135 41.4325
+S   34.2014 27.3813 41.4633
+S   34.2074 27.2872 41.4522
+S   34.1882 27.3016 41.3810
+S   34.2764 27.3337 41.4847
+S   34.3876 27.3075 41.5370
+S   34.5026 27.3011 41.5239
+S   34.5998 27.2667 41.4868
+S   34.5947 27.1558 41.5317
+S   34.6200 27.0907 41.5766
+S   34.6200 27.0963 41.6371
+S   34.6268 27.1853 41.6482
+S   34.6928 27.1781 41.5761
+S   34.7560 27.1982 41.5262
+S   34.7495 27.1162 41.4962
+S   34.5951 27.0167 41.5228
+S   34.4482 26.9049 41.5840
+S   34.3896 26.8809 41.6536
+S   34.3667 26.8335 41.7006
+S   34.3821 26.8052 41.6437
+S   34.2808 26.7443 41.6429
+S   34.2138 26.5582 41.6883
+S   34.1594 26.3306 41.6469

1lf5_ligand_GppNHp_197_dock1/MCpath13.xyz

@@ -0,0 +1,250 @@
+248
+248
+S   35.1463 35.2739 38.9382
+S   35.2077 35.2778 38.8870
+S   35.2829 35.2658 38.8741
+S   35.3195 35.2769 38.9007
+S   35.3806 35.3071 38.9023
+S   35.4714 35.3302 38.8504
+S   35.4448 35.3802 38.8158
+S   35.3592 35.4631 38.7188
+S   35.2394 35.4427 38.6730
+S   35.2398 35.4483 38.6051
+S   35.2674 35.5027 38.6416
+S   35.2971 35.5570 38.7192
+S   35.2982 35.5348 38.8471
+S   35.3213 35.5078 38.9584
+S   35.3209 35.5478 38.9604
+S   35.4252 35.5630 38.9322
+S   35.5036 35.5913 38.8996
+S   35.5098 35.5828 38.8369
+S   35.3962 35.5657 38.7079
+S   35.1830 35.5092 38.6825
+S   35.0329 35.4802 38.7185
+S   34.9921 35.5447 38.7774
+S   34.8699 35.5537 38.8012
+S   34.8368 35.5134 38.7644
+S   34.7431 35.4710 38.7632
+S   34.7351 35.4724 38.7214
+S   34.7274 35.4657 38.6912
+S   34.6278 35.5019 38.5889
+S   34.4689 35.5800 38.4904
+S   34.4304 35.6269 38.4548
+S   34.4662 35.4866 38.4378
+S   34.4244 35.4021 38.4769
+S   34.4140 35.4563 38.4904
+S   34.3554 35.4462 38.5128
+S   34.3310 35.3551 38.4989
+S   34.2582 35.3150 38.4370
+S   34.1954 35.4210 38.4200
+S   34.2099 35.3819 38.4973
+S   34.2430 35.3188 38.5631
+S   34.3188 35.3748 38.5435
+S   34.3185 35.5376 38.5210
+S   34.3580 35.5378 38.5045
+S   34.3634 35.5290 38.5092
+S   34.3298 35.5141 38.5498
+S   34.3010 35.4401 38.5647
+S   34.2622 35.4043 38.5894
+S   34.2558 35.3687 38.5596
+S   34.2607 35.3015 38.4715
+S   34.2597 35.3097 38.3387
+S   34.3606 35.2526 38.3063
+S   34.4838 35.3174 38.3251
+S   34.5192 35.4759 38.4015
+S   34.5770 35.6278 38.4689
+S   34.6353 35.7355 38.5091
+S   34.6096 35.8025 38.5179
+S   34.5295 35.8549 38.5513
+S   34.5438 35.8646 38.5903
+S   34.5097 35.8410 38.6078
+S   34.5223 35.8134 38.6533
+S   34.5153 35.8407 38.5813
+S   34.5415 35.7871 38.5613
+S   34.5348 35.7032 38.4892
+S   34.5272 35.5553 38.3758
+S   34.5782 35.4415 38.4098
+S   34.5166 35.3877 38.4444
+S   34.3849 35.4525 38.5070
+S   34.2579 35.4729 38.5066
+S   34.2107 35.3924 38.5181
+S   34.1054 35.4002 38.4729
+S   33.8312 35.5449 38.4413
+S   33.6414 35.6275 38.4996
+S   33.5402 35.6192 38.5411
+S   33.4006 35.6056 38.5679
+S   33.2276 35.6079 38.6957
+S   33.0999 35.5335 38.8576
+S   33.1197 35.4314 38.9005
+S   33.1740 35.3889 38.8247
+S   33.1939 35.3978 38.7422
+S   33.1410 35.4143 38.7224
+S   33.1919 35.3445 38.8083
+S   33.1598 35.2948 38.8297
+S   33.1291 35.1750 38.9867
+S   33.0980 35.0503 39.1388
+S   33.2241 34.9228 39.3700
+S   33.2745 34.7802 39.5742
+S   33.2306 34.5470 39.7719
+S   33.1866 34.2679 39.9722
+S   33.2720 34.0259 40.1940
+S   33.4443 33.9874 40.2338
+S   33.6926 34.0570 40.2251
+S   33.8912 34.1183 40.1815
+S   34.0848 34.1321 40.1009
+S   34.1910 34.1148 39.9908
+S   34.1583 34.0194 39.9473
+S   34.1106 33.8741 39.9688
+S   33.9644 33.6327 39.8642
+S   33.7506 33.4594 39.8625
+S   33.7028 33.2204 39.9368
+S   33.6808 33.0735 39.9201
+S   33.5863 33.1036 39.7835
+S   33.4824 33.1407 39.6665
+S   33.5256 33.2486 39.5219
+S   33.5703 33.2896 39.5556
+S   33.7232 33.2840 39.5626
+S   33.8670 33.2891 39.5015
+S   33.9763 33.2727 39.4599
+S   33.9816 33.2383 39.3938
+S   33.9713 33.1785 39.3209
+S   34.0100 33.0738 39.2941
+S   34.0379 33.0344 39.3410
+S   33.9702 33.0404 39.4145
+S   33.9549 33.0877 39.5781
+S   34.0430 33.0673 39.7363
+S   34.0970 33.0178 39.8328
+S   34.0170 33.0317 39.8627
+S   34.0064 32.9586 39.8219
+S   33.9579 32.9508 39.7382
+S   33.9287 32.8886 39.6848
+S   33.8868 32.7442 39.5316
+S   33.8724 32.4852 39.4548
+S   33.7830 32.2268 39.4254
+S   33.6128 32.0231 39.5505
+S   33.5178 31.8858 39.6553
+S   33.3503 31.8178 39.7229
+S   33.3537 31.8225 39.8478
+S   33.4526 31.7757 40.0087
+S   33.5083 31.6634 40.1113
+S   33.5025 31.5547 40.2751
+S   33.4670 31.4448 40.4056
+S   33.4222 31.3736 40.5877
+S   33.3512 31.3611 40.7588
+S   33.3770 31.3089 40.8383
+S   33.3427 31.2864 40.8943
+S   33.3661 31.3341 40.9810
+S   33.3585 31.4095 40.9739
+S   33.2950 31.4587 41.0391
+S   33.2006 31.4358 41.1095
+S   33.1425 31.4571 41.2126
+S   33.0309 31.5893 41.1635
+S   32.9602 31.6968 41.1567
+S   32.8386 31.8225 41.1341
+S   32.7053 31.9373 41.1832
+S   32.6319 32.0986 41.2704
+S   32.5539 32.2218 41.3265
+S   32.4240 32.2964 41.3132
+S   32.2939 32.3633 41.3092
+S   32.1189 32.4412 41.4057
+S   32.0899 32.5915 41.3662
+S   32.1225 32.6910 41.2954
+S   32.1232 32.7664 41.2886
+S   32.1892 32.7600 41.2865
+S   32.2633 32.6721 41.3419
+S   32.2630 32.6620 41.4369
+S   32.2261 32.7077 41.4947
+S   32.1912 32.7109 41.6212
+S   32.0843 32.6545 41.6740
+S   31.9440 32.6786 41.7513
+S   31.6817 32.6585 41.7929
+S   31.4954 32.6748 41.8410
+S   31.3748 32.6699 41.8342
+S   31.2911 32.5941 41.6838
+S   31.2336 32.6668 41.6417
+S   31.1595 32.6980 41.5936
+S   31.0788 32.6597 41.5128
+S   31.1086 32.5630 41.4695
+S   31.1676 32.6246 41.3222
+S   31.2372 32.6293 41.2096
+S   31.3358 32.6822 41.1139
+S   31.3975 32.6628 41.0047
+S   31.3573 32.6365 40.8375
+S   31.3143 32.5944 40.6289
+S   31.1996 32.5277 40.4298
+S   31.0277 32.4206 40.4466
+S   31.0741 32.4730 40.4257
+S   31.0948 32.5038 40.4214
+S   31.0215 32.4646 40.3743
+S   30.9763 32.4620 40.3072
+S   31.0063 32.4931 40.3512
+S   31.0571 32.5248 40.4073
+S   31.0910 32.6064 40.5165
+S   31.1597 32.6768 40.4718
+S   31.1138 32.6972 40.3449
+S   30.9520 32.7975 40.3183
+S   30.7883 32.7566 40.2320
+S   30.6946 32.6994 40.2123
+S   30.6374 32.6629 40.2226
+S   30.5638 32.6842 40.2061
+S   30.3889 32.6619 40.2099
+S   30.2756 32.6139 40.2404
+S   30.1682 32.5303 40.2999
+S   30.1304 32.4664 40.3972
+S   30.0396 32.4403 40.3779
+S   29.9766 32.3681 40.4200
+S   29.9554 32.4041 40.4765
+S   29.9381 32.2591 40.7220
+S   29.9617 32.0571 40.8779
+S   30.0370 31.9753 40.8439
+S   30.0721 31.8843 40.8869
+S   30.0390 31.8128 40.9294
+S   30.0750 31.7891 40.8674
+S   30.0688 31.7565 40.7827
+S   30.1113 31.7293 40.7345
+S   30.1225 31.6764 40.7363
+S   30.1477 31.5904 40.7105
+S   30.1693 31.4803 40.6708
+S   30.0534 31.3738 40.6029
+S   29.8674 31.2922 40.5812
+S   29.7429 31.2280 40.6339
+S   29.6916 31.1653 40.5648
+S   29.7264 31.1549 40.4779
+S   29.8185 31.1906 40.4952
+S   29.9708 31.2500 40.5687
+S   30.0690 31.3304 40.5574
+S   30.1650 31.2864 40.6152
+S   30.2369 31.2009 40.6299
+S   30.3407 31.0906 40.5800
+S   30.5265 30.9482 40.5595
+S   30.6950 30.8397 40.4966
+S   30.8353 30.6912 40.4439
+S   30.8584 30.5529 40.3120
+S   30.9221 30.3536 40.2354
+S   31.0412 30.1583 40.2508
+S   31.2368 30.0708 40.2722
+S   31.4102 30.1077 40.2670
+S   31.6517 30.2135 40.3175
+S   31.7182 30.2829 40.5315
+S   31.7819 30.2774 40.6186
+S   31.8691 30.2732 40.6007
+S   31.9656 30.2760 40.5041
+S   32.0250 30.2897 40.4105
+S   32.0162 30.2277 40.3724
+S   31.9018 30.1361 40.4195
+S   31.8231 30.1218 40.4526
+S   31.8127 30.1150 40.4540
+S   31.8594 30.0959 40.4874
+S   31.8986 30.1056 40.5298
+S   31.9621 30.0654 40.5520
+S   31.9579 29.9925 40.5542
+S   31.9671 29.8829 40.5164
+S   32.0536 29.8625 40.4973
+S   32.0666 29.7425 40.5211
+S   31.9948 29.6777 40.6023
+S   31.8634 29.6652 40.5925
+S   31.8337 29.6498 40.5893
+S   31.8781 29.6310 40.5608
+S   31.8514 29.5435 40.5593
+S   31.8068 29.3999 40.5784
+S   31.7595 29.2124 40.5997

1lf5_ligand_GppNHp_197_dock1/MCpath14.xyz

@@ -0,0 +1,107 @@
+105
+105
+S   35.0318 35.1192 39.0184
+S   34.9617 35.0775 39.0503
+S   34.9320 35.0535 39.0287
+S   34.9317 35.0766 39.0226
+S   35.0598 35.1336 38.9577
+S   35.0376 35.1108 38.8497
+S   34.9732 35.0506 38.7935
+S   34.9441 35.0158 38.7565
+S   34.8686 34.9812 38.7612
+S   34.8238 34.9270 38.7396
+S   34.8157 34.9013 38.7711
+S   34.7883 34.8527 38.8050
+S   34.7860 34.7508 38.8025
+S   34.8246 34.6873 38.7226
+S   34.7538 34.6277 38.6749
+S   34.7338 34.6479 38.6446
+S   34.7514 34.6919 38.7534
+S   34.7948 34.7473 38.8137
+S   34.8248 34.8298 38.7647
+S   34.8404 34.8610 38.7372
+S   34.7767 34.9184 38.6881
+S   34.7114 34.9551 38.7138
+S   34.7634 35.0032 38.6665
+S   34.7434 35.0672 38.6460
+S   34.6579 34.9830 38.6517
+S   34.5216 34.8574 38.6088
+S   34.4824 34.6897 38.6141
+S   34.4799 34.6148 38.6209
+S   34.5792 34.5991 38.4972
+S   34.5615 34.6079 38.4223
+S   34.5229 34.5864 38.4368
+S   34.4320 34.5692 38.4602
+S   34.4141 34.4917 38.4363
+S   34.3679 34.5184 38.4307
+S   34.3175 34.5579 38.3871
+S   34.3169 34.5582 38.4047
+S   34.2459 34.6249 38.4099
+S   34.3065 34.5843 38.4462
+S   34.3160 34.5526 38.5421
+S   34.3422 34.4964 38.4795
+S   34.3833 34.3914 38.4562
+S   34.4282 34.3228 38.4348
+S   34.4499 34.3108 38.4799
+S   34.4214 34.2962 38.4736
+S   34.3543 34.3383 38.4442
+S   34.3129 34.3241 38.4561
+S   34.3254 34.3144 38.4710
+S   34.3155 34.2891 38.5271
+S   34.2696 34.2370 38.4895
+S   34.2771 34.1002 38.3665
+S   34.2685 33.8663 38.3070
+S   34.3185 33.5620 38.3183
+S   34.3555 33.2053 38.3605
+S   34.2629 33.0469 38.4520
+S   34.2092 32.9354 38.4971
+S   34.1822 32.8651 38.5989
+S   34.1189 32.8199 38.7114
+S   33.9713 32.8364 38.8254
+S   33.8626 32.9511 38.8503
+S   33.8189 33.0238 38.9043
+S   33.7778 33.0183 38.9139
+S   33.7101 33.0475 38.9227
+S   33.6206 33.1599 38.9568
+S   33.6233 33.1922 38.8855
+S   33.7641 33.0893 38.7919
+S   33.8063 33.0650 38.6658
+S   33.9202 33.0798 38.6206
+S   33.9206 33.1973 38.5901
+S   33.8949 33.1649 38.5227
+S   33.8602 33.0410 38.4860
+S   33.7654 32.9931 38.5098
+S   33.7867 32.8563 38.5265
+S   33.7948 32.7381 38.5202
+S   33.8089 32.5539 38.5783
+S   33.7767 32.3424 38.5137
+S   33.6161 32.2300 38.5344
+S   33.4550 32.1643 38.5926
+S   33.4577 32.1816 38.6206
+S   33.5246 32.1573 38.6271
+S   33.6064 32.1144 38.6315
+S   33.6514 32.0519 38.6148
+S   33.7424 32.0314 38.5577
+S   33.8178 31.9799 38.6109
+S   33.8466 31.9426 38.5840
+S   33.8152 31.8582 38.5835
+S   33.7025 31.8194 38.5782
+S   33.6898 31.7683 38.5715
+S   33.7357 31.5875 38.5757
+S   33.6494 31.4364 38.6204
+S   33.5802 31.2396 38.6698
+S   33.5705 31.0869 38.7131
+S   33.5387 30.9946 38.7829
+S   33.5500 30.8783 38.8537
+S   33.5938 30.8444 38.8685
+S   33.5685 30.8447 38.8872
+S   33.5919 30.8643 38.9344
+S   33.7517 30.8542 38.9817
+S   33.8066 30.8066 38.8796
+S   33.7940 30.6821 38.7578
+S   33.7316 30.5822 38.6785
+S   33.6360 30.4694 38.5647
+S   33.6625 30.4377 38.4216
+S   33.8417 30.4403 38.3963
+S   33.9794 30.3511 38.4613
+S   33.9929 30.2621 38.4558

1lf5_ligand_GppNHp_197_dock1/MCpath15.xyz

@@ -0,0 +1,222 @@
+220
+220
+S   34.7662 34.9900 38.8313
+S   34.7611 34.9539 38.8164
+S   34.7390 34.8905 38.8494
+S   34.7916 34.8597 38.8049
+S   34.8331 34.7860 38.7426
+S   34.8022 34.8147 38.6823
+S   34.7575 34.8019 38.7473
+S   34.7667 34.7532 38.7775
+S   34.8119 34.7613 38.8003
+S   34.8096 34.7163 38.8044
+S   34.8267 34.6834 38.7812
+S   34.8431 34.6836 38.8419
+S   34.8552 34.7057 38.8447
+S   34.9062 34.6945 38.8672
+S   34.9313 34.6330 38.8366
+S   34.9765 34.5923 38.8868
+S   34.9390 34.6477 38.8437
+S   34.8461 34.5911 38.7108
+S   34.7890 34.6031 38.6406
+S   34.7530 34.5374 38.7160
+S   34.7116 34.5304 38.7331
+S   34.6510 34.5569 38.7886
+S   34.7295 34.5222 38.8151
+S   34.8242 34.5316 38.8146
+S   34.8317 34.5813 38.8345
+S   34.9033 34.5403 38.7863
+S   34.9500 34.5512 38.6861
+S   34.8700 34.6529 38.6934
+S   34.7516 34.6605 38.6830
+S   34.6830 34.6806 38.5843
+S   34.5813 34.6199 38.6009
+S   34.4487 34.5327 38.5663
+S   34.3556 34.5293 38.5290
+S   34.2724 34.4747 38.5634
+S   34.2528 34.3372 38.6512
+S   34.2272 34.2004 38.6883
+S   34.2602 34.0711 38.6227
+S   34.3605 33.7900 38.6338
+S   34.4176 33.4891 38.5984
+S   34.5239 33.3200 38.6070
+S   34.6120 33.1795 38.6117
+S   34.6597 33.1799 38.5386
+S   34.7395 33.2075 38.3899
+S   34.8149 33.2266 38.2666
+S   34.8602 33.1967 38.2880
+S   34.8896 33.2053 38.3188
+S   34.9796 33.1675 38.3250
+S   34.9765 33.1901 38.3664
+S   35.0614 33.1931 38.3493
+S   35.0914 33.1370 38.3522
+S   35.1192 33.1004 38.3748
+S   35.1522 32.9983 38.4134
+S   35.2299 32.9777 38.4918
+S   35.2885 32.9437 38.6020
+S   35.4607 32.9470 38.6608
+S   35.4883 32.9485 38.7012
+S   35.4810 32.8353 38.6636
+S   35.4503 32.8086 38.6620
+S   35.4813 32.7102 38.6554
+S   35.5048 32.6303 38.6763
+S   35.4387 32.5430 38.6738
+S   35.3439 32.5014 38.5609
+S   35.2483 32.4671 38.4471
+S   35.2601 32.4148 38.4215
+S   35.3836 32.4069 38.3892
+S   35.4588 32.4063 38.3586
+S   35.4709 32.3778 38.3544
+S   35.4553 32.3482 38.3876
+S   35.4435 32.3201 38.4259
+S   35.4371 32.2674 38.3561
+S   35.4619 32.1982 38.3481
+S   35.4987 32.1801 38.3917
+S   35.4654 32.0972 38.4372
+S   35.4335 32.1017 38.5478
+S   35.4080 32.0018 38.5978
+S   35.4417 31.7903 38.6491
+S   35.4383 31.5453 38.7525
+S   35.4610 31.3155 38.7098
+S   35.5708 31.1970 38.6596
+S   35.5597 31.1477 38.5756
+S   35.5214 31.1005 38.5281
+S   35.5453 31.0993 38.4880
+S   35.5346 31.0813 38.4270
+S   35.5333 31.0009 38.3977
+S   35.4738 30.9833 38.4294
+S   35.3982 30.9980 38.4335
+S   35.3346 30.9482 38.4643
+S   35.3298 30.8812 38.4900
+S   35.3314 30.7415 38.4581
+S   35.2542 30.6180 38.4557
+S   35.2269 30.4660 38.4752
+S   35.1859 30.3751 38.4632
+S   35.2141 30.2519 38.5251
+S   35.1867 30.1483 38.5722
+S   35.1026 30.1475 38.5379
+S   35.0078 30.2996 38.5655
+S   34.8797 30.3944 38.6305
+S   34.7515 30.3703 38.7343
+S   34.5775 30.3759 38.8202
+S   34.4018 30.4239 38.9265
+S   34.2529 30.4239 38.9615
+S   34.1169 30.4519 39.0801
+S   34.0755 30.5567 39.2383
+S   34.0076 30.5974 39.3316
+S   33.9323 30.6728 39.5207
+S   33.9101 30.7931 39.6954
+S   33.8529 30.8752 39.8486
+S   33.7235 31.0167 39.9368
+S   33.6444 31.1781 39.9053
+S   33.5453 31.3826 39.8328
+S   33.5462 31.5558 39.9241
+S   33.5754 31.6737 39.8644
+S   33.5981 31.6829 39.7968
+S   33.5547 31.7408 39.8260
+S   33.4493 31.8403 39.8427
+S   33.3357 31.8899 39.9517
+S   33.2610 31.7843 39.9627
+S   33.0417 31.7089 39.9536
+S   32.8683 31.8056 40.0155
+S   32.8378 31.9206 40.1847
+S   32.8810 31.9208 40.2484
+S   32.9023 31.8130 40.2755
+S   32.9322 31.6695 40.3431
+S   32.9135 31.5665 40.4044
+S   32.9252 31.5358 40.4669
+S   32.9185 31.5002 40.5704
+S   32.8392 31.5000 40.6965
+S   32.8360 31.5358 40.9102
+S   32.8506 31.5753 41.0332
+S   32.8339 31.5812 41.1234
+S   32.8235 31.6669 41.1776
+S   32.9066 31.7679 41.2074
+S   32.9001 31.7934 41.2673
+S   32.8143 31.7551 41.3800
+S   32.6912 31.6334 41.5355
+S   32.5522 31.6653 41.5930
+S   32.4568 31.6900 41.6199
+S   32.3965 31.7573 41.5637
+S   32.4697 31.8615 41.5912
+S   32.5733 31.9154 41.6462
+S   32.5864 31.9991 41.6479
+S   32.5617 32.0335 41.6872
+S   32.5127 32.0817 41.6922
+S   32.5263 32.1648 41.7139
+S   32.3940 32.1514 41.6920
+S   32.3517 32.0677 41.7154
+S   32.3597 31.9521 41.8051
+S   32.3268 31.8869 41.8974
+S   32.3029 31.7921 41.9172
+S   32.2227 31.5952 41.9474
+S   32.0989 31.4583 41.9117
+S   31.9644 31.3942 41.8455
+S   31.7915 31.3463 41.7694
+S   31.7045 31.3521 41.6927
+S   31.6058 31.3144 41.6428
+S   31.5218 31.2630 41.5215
+S   31.4701 31.1407 41.4267
+S   31.4641 30.9996 41.3824
+S   31.4177 30.9326 41.3283
+S   31.3760 30.7862 41.3090
+S   31.2865 30.6823 41.3186
+S   31.2679 30.6545 41.2623
+S   31.3495 30.5560 41.2805
+S   31.4700 30.4967 41.3386
+S   31.5109 30.4544 41.2878
+S   31.4608 30.3582 41.2270
+S   31.4331 30.2847 41.1898
+S   31.4345 30.1523 41.1986
+S   31.4036 30.0423 41.1344
+S   31.3884 29.9484 41.0881
+S   31.3542 29.8392 41.1356
+S   31.4011 29.7533 41.2253
+S   31.5534 29.7744 41.2234
+S   31.5714 29.7374 41.1890
+S   31.5385 29.6654 41.1875
+S   31.4558 29.6766 41.2366
+S   31.4232 29.6796 41.2266
+S   31.3807 29.7204 41.2639
+S   31.4035 29.7677 41.3108
+S   31.4536 29.7795 41.3104
+S   31.5410 29.7231 41.3357
+S   31.6451 29.5885 41.3962
+S   31.7354 29.5635 41.3375
+S   31.7219 29.5162 41.2507
+S   31.7551 29.4076 41.2775
+S   31.8330 29.2684 41.3704
+S   31.9144 29.1658 41.4536
+S   31.9170 29.1241 41.3693
+S   31.9278 29.0940 41.3410
+S   31.9280 29.0638 41.3233
+S   31.9753 29.0898 41.3486
+S   32.0450 29.1358 41.3444
+S   32.0141 29.0727 41.2526
+S   31.9931 28.9440 41.2549
+S   31.9869 28.8111 41.1949
+S   32.0522 28.6807 41.1362
+S   32.1600 28.5505 41.0788
+S   32.1753 28.3702 41.1042
+S   32.1109 28.2348 41.1092
+S   32.0514 28.1892 41.1342
+S   32.0766 28.1536 41.1625
+S   32.1152 28.1482 41.1467
+S   32.1346 28.1049 41.1480
+S   32.0761 27.9966 41.1131
+S   32.0595 27.9488 41.1882
+S   32.0236 27.9035 41.2128
+S   32.0550 27.9080 41.3048
+S   31.9729 27.9514 41.3196
+S   31.9051 27.9495 41.2439
+S   31.8137 27.9535 41.2424
+S   31.7470 27.9576 41.2243
+S   31.7046 27.9866 41.1986
+S   31.6746 28.0163 41.2650
+S   31.6057 28.0126 41.3098
+S   31.5370 27.9037 41.3128
+S   31.4559 27.7817 41.3501
+S   31.3858 27.6769 41.3263
+S   31.3742 27.5481 41.3555
+S   31.3609 27.4056 41.3333
+S   31.2990 27.2645 41.3216

1lf5_ligand_GppNHp_197_dock1/MCpath16.xyz

@@ -0,0 +1,149 @@
+147
+147
+S   34.9383 35.1962 39.1355
+S   35.0499 35.1378 39.0581
+S   35.1585 35.1147 38.9844
+S   35.1172 35.1419 38.8589
+S   35.0899 35.1797 38.8467
+S   35.0786 35.0942 38.8270
+S   35.0320 34.9634 38.8580
+S   34.9443 34.9699 38.9557
+S   34.8158 34.9597 38.9825
+S   34.7318 34.9499 38.9711
+S   34.7338 34.9488 38.9113
+S   34.8076 34.9463 38.8522
+S   34.9341 34.8722 38.8103
+S   34.9695 34.7815 38.7923
+S   34.9592 34.7781 38.7674
+S   34.9508 34.8421 38.7828
+S   34.9442 34.9791 38.8025
+S   35.0018 35.0259 38.7168
+S   35.0202 34.9163 38.5928
+S   34.9160 34.8562 38.5910
+S   34.8871 34.7517 38.5415
+S   34.8139 34.6462 38.5304
+S   34.7520 34.5428 38.4869
+S   34.6832 34.4289 38.4639
+S   34.6042 34.3297 38.4903
+S   34.5973 34.2095 38.3737
+S   34.7058 34.0979 38.3280
+S   34.7967 34.1146 38.3494
+S   34.7568 34.1120 38.2924
+S   34.7026 34.1090 38.4119
+S   34.7189 34.0818 38.5695
+S   34.7880 34.1561 38.5314
+S   34.8157 34.0775 38.5101
+S   34.7778 33.9835 38.5167
+S   34.7741 33.8330 38.5499
+S   34.7923 33.6915 38.5501
+S   34.7097 33.5835 38.5333
+S   34.5666 33.4211 38.5268
+S   34.4027 33.3710 38.5566
+S   34.3290 33.3377 38.6174
+S   34.2102 33.2126 38.6502
+S   34.0852 33.1373 38.5895
+S   34.0351 33.0896 38.6152
+S   33.9432 33.0956 38.7573
+S   33.9411 33.1304 38.8763
+S   33.9264 33.0841 39.0122
+S   33.8855 33.1558 39.1624
+S   33.7810 33.2237 39.2174
+S   33.6703 33.2729 39.3393
+S   33.6107 33.4134 39.4303
+S   33.4712 33.6487 39.5106
+S   33.3328 33.7288 39.5497
+S   33.2540 33.8020 39.6237
+S   33.3264 33.8203 39.6803
+S   33.3709 33.8225 39.6999
+S   33.4480 33.8124 39.5960
+S   33.4115 33.7423 39.4853
+S   33.4737 33.5922 39.5142
+S   33.4436 33.5068 39.5613
+S   33.4176 33.5046 39.6123
+S   33.4579 33.4642 39.5982
+S   33.3643 33.3525 39.5544
+S   33.2337 33.2497 39.5024
+S   33.2048 33.0924 39.4935
+S   33.1765 32.9634 39.5384
+S   33.2832 32.8425 39.5965
+S   33.3278 32.6724 39.6173
+S   33.3347 32.5474 39.4911
+S   33.3930 32.3600 39.4829
+S   33.3783 32.1479 39.4727
+S   33.4164 31.9808 39.4885
+S   33.4938 31.9419 39.4567
+S   33.6312 32.0026 39.5118
+S   33.8652 31.9632 39.4723
+S   33.9107 31.9839 39.4404
+S   33.9681 31.9471 39.3669
+S   34.0722 31.9258 39.3392
+S   34.1235 31.8862 39.3004
+S   34.0664 31.8856 39.2443
+S   34.0655 31.9144 39.2518
+S   34.0697 31.9646 39.2544
+S   34.0666 32.0182 39.3401
+S   34.0103 32.0608 39.3092
+S   33.9651 32.0918 39.2745
+S   33.9768 32.0011 39.3284
+S   34.0104 31.8270 39.4479
+S   33.9765 31.6904 39.5639
+S   33.8282 31.5774 39.7535
+S   33.7811 31.4643 39.8528
+S   33.6911 31.3570 39.8568
+S   33.6153 31.2660 39.8817
+S   33.5669 31.2758 39.9013
+S   33.4465 31.2981 39.8778
+S   33.2648 31.2485 39.9338
+S   33.2233 31.2529 39.8927
+S   33.2293 31.1805 39.8728
+S   33.2869 31.1751 39.8947
+S   33.2865 31.1106 39.8940
+S   33.3899 31.0784 39.9353
+S   33.3913 31.0206 39.9446
+S   33.4271 30.9767 39.9054
+S   33.4300 30.9435 39.8297
+S   33.4525 30.8511 39.7145
+S   33.4392 30.6837 39.5979
+S   33.4508 30.5194 39.5032
+S   33.4243 30.3791 39.4345
+S   33.3972 30.2819 39.4338
+S   33.2726 30.2388 39.4851
+S   33.2555 30.1899 39.6271
+S   33.2847 30.1981 39.7078
+S   33.3483 30.2569 39.6674
+S   33.4428 30.3665 39.5972
+S   33.4300 30.3255 39.4334
+S   33.4573 30.2020 39.3233
+S   33.5151 30.1653 39.3258
+S   33.5991 30.1465 39.4783
+S   33.7192 30.1978 39.5647
+S   33.7800 30.1828 39.6147
+S   33.7987 30.0880 39.6809
+S   33.7599 30.0017 39.7064
+S   33.7439 29.9314 39.7155
+S   33.7251 29.9192 39.6636
+S   33.6811 29.8651 39.6152
+S   33.6547 29.8201 39.5888
+S   33.5916 29.6572 39.5777
+S   33.5600 29.5181 39.5853
+S   33.5592 29.3123 39.6471
+S   33.5304 29.1566 39.6896
+S   33.6019 29.1486 39.7143
+S   33.6109 29.2346 39.6993
+S   33.6701 29.2936 39.7146
+S   33.7355 29.3021 39.7229
+S   33.7355 29.2779 39.7306
+S   33.7645 29.2882 39.6623
+S   33.8289 29.3161 39.6299
+S   33.8741 29.2855 39.6647
+S   33.8161 29.2858 39.6275
+S   33.7886 29.3300 39.6648
+S   33.6813 29.3087 39.6871
+S   33.5552 29.3539 39.6622
+S   33.4689 29.2685 39.6597
+S   33.3930 29.1223 39.6444
+S   33.3670 28.9378 39.5223
+S   33.4505 28.7075 39.4223
+S   33.4882 28.5211 39.3345
+S   33.4143 28.3419 39.2085
+S   33.3886 28.2043 39.1935

1lf5_ligand_GppNHp_197_dock1/MCpath17.xyz

@@ -0,0 +1,105 @@
+103
+103
+S   35.1091 35.1229 39.0141
+S   35.0964 35.0944 38.9414
+S   35.0072 35.1209 38.9247
+S   34.9587 35.1190 38.9631
+S   34.9794 35.0477 39.0434
+S   34.9887 35.1020 39.0635
+S   35.0067 35.0515 39.0176
+S   35.0090 34.9671 39.0611
+S   34.9622 34.9408 39.0795
+S   34.9220 34.9835 39.0556
+S   34.9156 35.0432 38.9778
+S   34.9496 35.0805 38.8530
+S   35.0392 35.0631 38.7869
+S   35.0231 35.0282 38.7628
+S   34.9040 34.9616 38.7497
+S   34.8592 34.9198 38.7423
+S   34.8012 34.9601 38.7714
+S   34.6826 34.9777 38.7871
+S   34.6201 35.0514 38.7883
+S   34.5817 34.9925 38.7542
+S   34.5450 34.8420 38.7117
+S   34.5040 34.7253 38.7226
+S   34.5382 34.6271 38.7171
+S   34.5566 34.6357 38.6583
+S   34.5740 34.6460 38.5566
+S   34.6272 34.6826 38.4556
+S   34.5952 34.6241 38.4881
+S   34.5608 34.5250 38.5792
+S   34.6430 34.5361 38.5769
+S   34.7215 34.5538 38.5528
+S   34.7137 34.5286 38.5257
+S   34.7261 34.5105 38.5511
+S   34.7064 34.6403 38.5163
+S   34.6798 34.6620 38.4596
+S   34.7231 34.7008 38.3485
+S   34.7333 34.7252 38.2450
+S   34.7762 34.7700 38.2408
+S   34.7401 34.8359 38.2919
+S   34.6064 34.7638 38.3591
+S   34.5532 34.6447 38.5051
+S   34.5217 34.4548 38.5728
+S   34.4550 34.4361 38.5896
+S   34.3437 34.5304 38.5402
+S   34.3036 34.6226 38.4358
+S   34.3140 34.5333 38.3714
+S   34.2733 34.4068 38.3564
+S   34.2700 34.2925 38.2981
+S   34.3563 34.3033 38.3489
+S   34.4280 34.2464 38.4181
+S   34.4110 34.0207 38.4414
+S   34.2702 33.7191 38.4631
+S   34.3161 33.3228 38.4784
+S   34.3263 33.0379 38.5646
+S   34.4098 32.8728 38.6359
+S   34.5105 32.7825 38.7209
+S   34.5851 32.8049 38.8670
+S   34.6382 32.8123 38.9618
+S   34.5972 32.8274 38.9840
+S   34.5147 32.8089 38.9688
+S   34.4709 32.7269 38.8966
+S   34.5256 32.6729 38.8315
+S   34.5759 32.5861 38.7212
+S   34.5338 32.6018 38.5422
+S   34.3789 32.6015 38.5230
+S   34.2870 32.6358 38.5269
+S   34.3456 32.6109 38.5829
+S   34.4576 32.5864 38.6413
+S   34.5319 32.6672 38.5833
+S   34.6090 32.6933 38.5144
+S   34.7154 32.7016 38.4489
+S   34.8328 32.6855 38.3325
+S   34.8868 32.6631 38.2911
+S   34.9055 32.6298 38.3236
+S   34.8446 32.5583 38.3717
+S   34.7918 32.5099 38.3649
+S   34.7049 32.3590 38.4023
+S   34.5685 32.3332 38.4707
+S   34.5369 32.2681 38.5082
+S   34.5010 32.2165 38.5291
+S   34.5232 32.1735 38.5180
+S   34.5878 32.1014 38.4514
+S   34.6382 31.9657 38.3410
+S   34.6304 31.8762 38.2881
+S   34.6177 31.7571 38.2347
+S   34.5636 31.7108 38.2422
+S   34.4985 31.6563 38.2445
+S   34.5338 31.6088 38.3472
+S   34.5511 31.5822 38.4049
+S   34.5484 31.6053 38.5400
+S   34.5129 31.6581 38.5820
+S   34.5830 31.6875 38.6403
+S   34.5601 31.6709 38.6978
+S   34.4995 31.5547 38.6924
+S   34.3990 31.4753 38.5941
+S   34.2176 31.4510 38.5493
+S   34.0560 31.4144 38.5103
+S   33.8758 31.3824 38.4422
+S   33.6415 31.3561 38.4959
+S   33.5127 31.3905 38.5383
+S   33.3755 31.4947 38.5127
+S   33.2920 31.6230 38.5095
+S   33.2263 31.7164 38.4949
+S   33.1582 31.7292 38.6125

1lf5_ligand_GppNHp_197_dock1/MCpath18.xyz

@@ -0,0 +1,193 @@
+191
+191
+S   35.0050 35.1326 39.0681
+S   35.0246 35.1109 39.0842
+S   35.1165 35.1585 39.1195
+S   35.1149 35.2488 39.0609
+S   35.1018 35.3444 38.9714
+S   35.0549 35.3595 38.9383
+S   34.9426 35.3016 38.9290
+S   34.8186 35.2895 38.9361
+S   34.7987 35.3072 38.9110
+S   34.8305 35.2908 38.9632
+S   34.8370 35.2749 38.9732
+S   34.9091 35.2493 38.9495
+S   34.9665 35.2725 38.8918
+S   35.0243 35.3255 38.8261
+S   35.0641 35.3510 38.7948
+S   35.0241 35.4027 38.8175
+S   34.9588 35.4962 38.8222
+S   34.8468 35.5566 38.7689
+S   34.8534 35.5713 38.6885
+S   34.8217 35.5107 38.6369
+S   34.7642 35.4065 38.5222
+S   34.6647 35.4373 38.5185
+S   34.5961 35.4894 38.5382
+S   34.6375 35.4650 38.5748
+S   34.6562 35.4796 38.7006
+S   34.5776 35.5276 38.8571
+S   34.5597 35.6052 38.9832
+S   34.6300 35.6757 39.0921
+S   34.8113 35.7124 39.0000
+S   34.8441 35.6824 38.9560
+S   34.7767 35.6387 38.9289
+S   34.6998 35.5565 38.7843
+S   34.7224 35.4979 38.7054
+S   34.7991 35.5104 38.6297
+S   34.7345 35.4763 38.5486
+S   34.6563 35.4483 38.4229
+S   34.6203 35.4553 38.4483
+S   34.5466 35.4551 38.4444
+S   34.4603 35.4401 38.4261
+S   34.3262 35.5291 38.4673
+S   34.2722 35.5559 38.5858
+S   34.3087 35.3707 38.5607
+S   34.3611 35.3201 38.4447
+S   34.4571 35.3487 38.3937
+S   34.4694 35.3155 38.4118
+S   34.5003 35.2966 38.4378
+S   34.5279 35.3408 38.4399
+S   34.5282 35.4790 38.4476
+S   34.5335 35.5434 38.4631
+S   34.5036 35.5861 38.5195
+S   34.6160 35.4914 38.5678
+S   34.6817 35.4757 38.6107
+S   34.6813 35.5686 38.6414
+S   34.6482 35.6419 38.6131
+S   34.7355 35.6723 38.5517
+S   34.7384 35.6685 38.5487
+S   34.7548 35.6825 38.5523
+S   34.7620 35.6711 38.5740
+S   34.6969 35.6062 38.5091
+S   34.6890 35.5485 38.4518
+S   34.6574 35.4471 38.3631
+S   34.6287 35.4508 38.2466
+S   34.5742 35.5736 38.2493
+S   34.4930 35.6371 38.3104
+S   34.3827 35.6175 38.3355
+S   34.4250 35.5822 38.3173
+S   34.4367 35.5809 38.3474
+S   34.4163 35.4880 38.3113
+S   34.3505 35.4496 38.3145
+S   34.3906 35.4433 38.3222
+S   34.3956 35.4399 38.3651
+S   34.3918 35.4159 38.4300
+S   34.4247 35.4750 38.4385
+S   34.4597 35.4969 38.4778
+S   34.5309 35.4307 38.5347
+S   34.4611 35.4284 38.6320
+S   34.4298 35.4394 38.7365
+S   34.4030 35.4505 38.7978
+S   34.4143 35.5137 38.7081
+S   34.4787 35.4536 38.5483
+S   34.5386 35.4747 38.4412
+S   34.5167 35.5473 38.3687
+S   34.5231 35.6524 38.3987
+S   34.4782 35.6518 38.4576
+S   34.4346 35.6567 38.4543
+S   34.4518 35.6321 38.4049
+S   34.3995 35.6199 38.3896
+S   34.3188 35.5834 38.3922
+S   34.2721 35.5660 38.4580
+S   34.2508 35.5608 38.5687
+S   34.4093 35.6085 38.6271
+S   34.5606 35.5860 38.6931
+S   34.5614 35.5944 38.7630
+S   34.5972 35.5738 38.6802
+S   34.5062 35.5474 38.5856
+S   34.4618 35.5023 38.5713
+S   34.3415 35.4702 38.5013
+S   34.2773 35.4289 38.3976
+S   34.2658 35.3721 38.3864
+S   34.2327 35.4229 38.3780
+S   34.2227 35.4935 38.3486
+S   34.0693 35.4439 38.3166
+S   33.5987 35.3487 38.4326
+S   33.2154 35.2699 38.5027
+S   32.9684 35.1892 38.6063
+S   32.9137 35.1246 38.7135
+S   32.9439 35.0537 38.6691
+S   32.9242 35.0477 38.6442
+S   32.9005 35.0021 38.6628
+S   32.9176 34.9314 38.7533
+S   33.0190 34.8119 38.7578
+S   33.0659 34.6435 38.7012
+S   33.0782 34.5501 38.7137
+S   33.1959 34.4930 38.7602
+S   33.2934 34.2059 38.7453
+S   33.2821 33.8092 38.8529
+S   33.2412 33.5927 38.8889
+S   33.2695 33.3840 38.8807
+S   33.2933 33.1853 38.9722
+S   33.4538 33.1348 39.0885
+S   33.5984 33.3327 39.2279
+S   33.7011 33.4405 39.3766
+S   33.7593 33.4951 39.5524
+S   33.7969 33.5272 39.6126
+S   33.7497 33.3954 39.6958
+S   33.6330 33.2954 39.7945
+S   33.5965 33.2594 39.9273
+S   33.6137 33.2443 40.0154
+S   33.6428 33.1796 40.1184
+S   33.6593 33.1295 40.0972
+S   33.6310 33.1526 39.9074
+S   33.6064 33.2297 39.9005
+S   33.6949 33.2581 39.9388
+S   33.6512 33.2294 39.9871
+S   33.5624 33.2727 39.9273
+S   33.4512 33.2918 39.9756
+S   33.4334 33.2249 39.9220
+S   33.4572 33.2401 39.8609
+S   33.4244 33.3405 39.8370
+S   33.4428 33.4114 39.8573
+S   33.4509 33.4591 39.9949
+S   33.4818 33.4520 40.0239
+S   33.4667 33.4407 39.8353
+S   33.4986 33.3999 39.8249
+S   33.4687 33.3956 39.7630
+S   33.5018 33.4214 39.6322
+S   33.5210 33.3781 39.4815
+S   33.4037 33.2641 39.4552
+S   33.3799 33.1802 39.4579
+S   33.4032 32.9890 39.4457
+S   33.4040 32.6499 39.4690
+S   33.3557 32.3348 39.4394
+S   33.2984 32.0970 39.4825
+S   33.2192 31.9845 39.5135
+S   33.1691 31.9008 39.5249
+S   33.1075 31.9577 39.4978
+S   33.0764 31.9954 39.5475
+S   32.9977 32.0364 39.6092
+S   32.9682 32.1080 39.6690
+S   32.8949 32.0913 39.6966
+S   32.9464 32.0074 39.6796
+S   32.9592 32.0567 39.7772
+S   33.0311 32.0716 39.8224
+S   32.9646 32.1251 39.9392
+S   32.8707 32.1617 39.9979
+S   32.7508 32.1198 39.9582
+S   32.6022 32.0456 39.9346
+S   32.4260 31.9375 39.8299
+S   32.3804 31.7995 39.7851
+S   32.5006 31.6138 39.7799
+S   32.4855 31.4592 39.7609
+S   32.4056 31.2960 39.7474
+S   32.2833 31.1786 39.7802
+S   32.3376 31.1272 39.7765
+S   32.4067 31.1099 39.7446
+S   32.3740 31.0050 39.8151
+S   32.4175 30.8506 39.9124
+S   32.5447 30.7776 39.9672
+S   32.6378 30.7433 40.0059
+S   32.6726 30.6641 39.9051
+S   32.7372 30.5094 39.8066
+S   32.7559 30.3957 39.8050
+S   32.7047 30.3014 39.7539
+S   32.6535 30.2000 39.6931
+S   32.7020 30.2207 39.6740
+S   32.8011 30.2797 39.6772
+S   32.9287 30.2843 39.6647
+S   33.0590 30.3221 39.5892
+S   33.0809 30.3929 39.3550
+S   33.0822 30.3351 39.1430
+S   33.0458 30.3401 39.0300

1lf5_ligand_GppNHp_197_dock1/MCpath19.xyz

@@ -0,0 +1,99 @@
+97
+97
+S   35.0535 35.1401 38.9345
+S   35.0685 35.1263 38.9201
+S   35.0611 35.1387 38.9115
+S   34.9910 35.1679 38.9106
+S   34.9886 35.1191 38.8560
+S   35.0423 35.0829 38.8286
+S   35.0485 35.1131 38.8027
+S   35.0542 35.0831 38.7844
+S   35.0322 35.0340 38.7172
+S   35.0422 35.0112 38.7570
+S   35.0658 34.9854 38.8483
+S   35.1553 34.9588 38.9010
+S   35.3241 34.9527 38.9475
+S   35.4597 34.9262 38.8864
+S   35.5383 34.8963 38.7610
+S   35.5931 34.8867 38.7131
+S   35.5580 34.9462 38.7183
+S   35.5084 34.9412 38.6828
+S   35.5367 34.9396 38.7544
+S   35.5536 34.9664 38.7653
+S   35.4980 34.9505 38.7380
+S   35.5092 34.9064 38.8144
+S   35.4946 34.8867 38.8034
+S   35.4299 34.8352 38.7507
+S   35.4316 34.7238 38.8041
+S   35.5190 34.6488 38.7959
+S   35.4869 34.5760 38.7699
+S   35.3861 34.5066 38.6941
+S   35.3194 34.4052 38.6200
+S   35.3584 34.4036 38.5642
+S   35.4096 34.3513 38.5668
+S   35.5061 34.2978 38.6033
+S   35.3731 34.3462 38.4821
+S   35.3715 34.4823 38.4945
+S   35.5125 34.6005 38.4388
+S   35.5004 34.5404 38.4067
+S   35.4865 34.4735 38.4231
+S   35.4166 34.4418 38.4075
+S   35.4514 34.3539 38.4655
+S   35.5354 34.3221 38.5862
+S   35.5644 34.2221 38.6068
+S   35.5545 34.0654 38.6004
+S   35.5194 33.7864 38.7245
+S   35.4663 33.5592 38.7390
+S   35.4035 33.4015 38.7056
+S   35.4142 33.2421 38.6481
+S   35.5205 33.1798 38.6390
+S   35.5085 33.1685 38.6843
+S   35.4760 33.2322 38.6138
+S   35.4414 33.1650 38.6988
+S   35.5045 33.1716 38.8154
+S   35.5059 33.2450 38.8105
+S   35.4536 33.2811 38.7227
+S   35.4715 33.2405 38.6949
+S   35.5505 33.2094 38.5975
+S   35.6373 33.0919 38.5679
+S   35.6897 32.9757 38.6064
+S   35.7153 32.9122 38.5925
+S   35.6937 32.8545 38.5977
+S   35.7530 32.8468 38.6486
+S   35.7503 32.9796 38.7649
+S   35.6885 33.0589 38.7894
+S   35.7223 33.0833 38.8371
+S   35.7682 33.0802 38.9278
+S   35.8163 33.1107 38.8623
+S   35.8181 33.1126 38.7598
+S   35.8103 33.0314 38.7202
+S   35.7312 32.9569 38.5381
+S   35.7776 32.8263 38.3282
+S   35.8519 32.7043 38.1960
+S   35.8474 32.5257 38.0361
+S   35.8432 32.3717 37.7752
+S   35.7918 32.2715 37.6728
+S   35.7121 32.1571 37.6640
+S   35.6301 32.2382 37.6211
+S   35.6313 32.3326 37.6525
+S   35.6124 32.3583 37.6535
+S   35.6484 32.3304 37.5839
+S   35.6650 32.3092 37.4441
+S   35.6296 32.3232 37.3023
+S   35.5927 32.3551 37.1615
+S   35.5653 32.3204 37.0782
+S   35.5766 32.3198 37.1423
+S   35.5893 32.3830 37.1006
+S   35.6835 32.5289 37.1155
+S   35.6821 32.5951 37.1929
+S   35.6234 32.5555 37.1674
+S   35.4801 32.4953 37.0509
+S   35.3906 32.4797 36.9462
+S   35.3801 32.5484 36.9057
+S   35.3960 32.6800 36.8651
+S   35.4821 32.7593 36.8069
+S   35.4695 32.8395 36.7262
+S   35.4484 32.9151 36.6285
+S   35.3531 32.8963 36.6079
+S   35.1636 32.8652 36.6570
+S   35.0012 32.9200 36.6363

1lf5_ligand_GppNHp_197_dock1/MCpath2.xyz

@@ -0,0 +1,1364 @@
+1362
+1362
+S   35.2353 35.1701 38.9800
+S   35.1374 35.1582 38.9570
+S   35.0612 35.1426 38.9722
+S   35.1223 35.1092 38.9800
+S   35.1920 35.0950 38.9600
+S   35.2585 35.0734 38.9399
+S   35.3212 35.1681 38.9600
+S   35.3622 35.2394 38.9258
+S   35.4373 35.3529 38.8772
+S   35.4546 35.4022 38.8638
+S   35.4518 35.3131 38.9059
+S   35.3802 35.3114 38.9001
+S   35.2831 35.3444 38.8131
+S   35.1852 35.3197 38.8105
+S   35.2015 35.3076 38.8236
+S   35.3341 35.3510 38.8753
+S   35.4050 35.4523 38.8657
+S   35.4008 35.5583 38.8487
+S   35.4189 35.5800 38.8557
+S   35.4222 35.7193 38.8922
+S   35.4628 35.8321 38.9962
+S   35.4259 35.8352 38.9446
+S   35.4710 35.7582 38.8074
+S   35.4760 35.6013 38.7113
+S   35.3381 35.5336 38.5684
+S   35.2824 35.4925 38.5219
+S   35.2739 35.5202 38.5669
+S   35.4095 35.5437 38.6111
+S   35.5590 35.4803 38.6131
+S   35.6327 35.3968 38.6147
+S   35.6496 35.4917 38.6240
+S   35.6954 35.4424 38.6563
+S   35.6795 35.4222 38.6637
+S   35.6864 35.4106 38.6379
+S   35.6913 35.4200 38.6436
+S   35.6487 35.5027 38.6265
+S   35.5780 35.5050 38.6189
+S   35.5122 35.5235 38.6838
+S   35.5288 35.5043 38.5428
+S   35.5665 35.4726 38.4493
+S   35.5946 35.3905 38.5290
+S   35.5652 35.2736 38.5514
+S   35.5521 35.2326 38.4861
+S   35.6532 35.1934 38.3862
+S   35.7462 35.1906 38.3192
+S   35.7756 35.2189 38.3537
+S   35.6959 35.3539 38.4179
+S   35.5629 35.4774 38.4140
+S   35.4597 35.5247 38.4326
+S   35.4420 35.5072 38.5383
+S   35.4219 35.4071 38.6384
+S   35.3412 35.3993 38.6852
+S   35.3572 35.4331 38.6831
+S   35.3593 35.4444 38.7233
+S   35.3514 35.4870 38.6411
+S   35.3107 35.4756 38.5728
+S   35.2966 35.4480 38.6167
+S   35.2997 35.3741 38.5129
+S   35.3861 35.3768 38.4358
+S   35.5219 35.3782 38.4498
+S   35.5924 35.4596 38.3978
+S   35.5840 35.4506 38.3295
+S   35.5490 35.3886 38.3671
+S   35.5483 35.3176 38.4079
+S   35.6528 35.2606 38.4335
+S   35.6816 35.2745 38.4822
+S   35.7105 35.3404 38.4411
+S   35.7643 35.3739 38.4021
+S   35.7581 35.4223 38.4572
+S   35.6973 35.4351 38.4384
+S   35.6194 35.4145 38.4254
+S   35.5241 35.4079 38.5622
+S   35.4536 35.4478 38.5422
+S   35.4069 35.5071 38.5444
+S   35.4175 35.4456 38.5531
+S   35.4182 35.5267 38.4906
+S   35.5052 35.5870 38.4548
+S   35.6172 35.7218 38.4291
+S   35.6528 35.7757 38.3946
+S   35.6378 35.7344 38.3872
+S   35.5403 35.6750 38.3272
+S   35.5538 35.6059 38.2595
+S   35.6258 35.4790 38.2861
+S   35.5974 35.3251 38.3081
+S   35.6089 35.2771 38.2958
+S   35.6862 35.2406 38.2787
+S   35.6866 35.2925 38.2772
+S   35.6069 35.3042 38.2570
+S   35.5593 35.2855 38.2730
+S   35.4894 35.3785 38.2767
+S   35.3774 35.4858 38.2636
+S   35.3890 35.5831 38.2996
+S   35.5093 35.6515 38.3181
+S   35.5549 35.6829 38.3376
+S   35.5459 35.7178 38.2994
+S   35.6167 35.6551 38.3049
+S   35.6527 35.5014 38.2859
+S   35.6460 35.5621 38.1592
+S   35.6320 35.6081 38.2586
+S   35.6435 35.5692 38.4244
+S   35.6675 35.4897 38.5232
+S   35.7289 35.5113 38.5710
+S   35.7359 35.4910 38.5564
+S   35.5610 35.5608 38.3785
+S   35.5217 35.4732 38.3134
+S   35.5980 35.4443 38.2612
+S   35.5611 35.5606 38.2493
+S   35.4900 35.5917 38.2850
+S   35.4782 35.5880 38.3244
+S   35.3855 35.5906 38.3636
+S   35.3589 35.6583 38.4324
+S   35.3738 35.7086 38.4962
+S   35.3669 35.6876 38.5050
+S   35.3619 35.6594 38.5623
+S   35.3386 35.6915 38.4961
+S   35.3476 35.6472 38.3565
+S   35.3824 35.6240 38.3583
+S   35.3821 35.6369 38.3658
+S   35.3960 35.6764 38.3160
+S   35.4933 35.6345 38.3025
+S   35.5116 35.6367 38.4606
+S   35.5470 35.7164 38.5967
+S   35.5579 35.7523 38.6459
+S   35.5461 35.6229 38.6607
+S   35.4401 35.4395 38.6171
+S   35.3893 35.4184 38.5458
+S   35.4806 35.4021 38.4513
+S   35.5594 35.3846 38.4211
+S   35.6097 35.4198 38.3190
+S   35.5656 35.3716 38.3397
+S   35.5400 35.3908 38.3961
+S   35.5941 35.3871 38.3544
+S   35.6156 35.4208 38.4326
+S   35.6802 35.4618 38.4485
+S   35.6619 35.4879 38.4652
+S   35.5840 35.4960 38.5629
+S   35.5650 35.5072 38.5088
+S   35.5922 35.5358 38.4567
+S   35.5551 35.5960 38.4325
+S   35.5963 35.5565 38.4521
+S   35.6201 35.4792 38.5767
+S   35.6479 35.4931 38.6661
+S   35.5426 35.4917 38.7274
+S   35.5189 35.4139 38.7092
+S   35.5227 35.4006 38.6653
+S   35.5656 35.3515 38.6708
+S   35.5300 35.3950 38.6296
+S   35.5708 35.4423 38.6251
+S   35.6884 35.4489 38.6475
+S   35.6878 35.4628 38.6509
+S   35.5609 35.5225 38.6356
+S   35.5147 35.6161 38.6442
+S   35.4076 35.6816 38.6378
+S   35.3944 35.5439 38.6222
+S   35.4766 35.5179 38.6332
+S   35.5047 35.5879 38.6036
+S   35.5397 35.6171 38.5014
+S   35.5928 35.6127 38.3471
+S   35.6174 35.6635 38.3429
+S   35.5819 35.6865 38.4265
+S   35.5079 35.6893 38.5046
+S   35.4672 35.6333 38.6081
+S   35.4165 35.5250 38.5447
+S   35.3995 35.5158 38.5227
+S   35.4539 35.5320 38.5543
+S   35.4508 35.5763 38.5397
+S   35.4505 35.5054 38.5096
+S   35.5622 35.5063 38.5169
+S   35.5531 35.5417 38.5404
+S   35.5497 35.5066 38.5377
+S   35.5190 35.5000 38.5109
+S   35.4929 35.5052 38.5021
+S   35.4666 35.5739 38.4602
+S   35.4666 35.6864 38.4247
+S   35.5362 35.7170 38.4215
+S   35.6667 35.7060 38.4089
+S   35.6882 35.7256 38.4184
+S   35.6636 35.6796 38.4589
+S   35.6386 35.6316 38.5317
+S   35.5838 35.5160 38.6008
+S   35.4542 35.4309 38.6026
+S   35.3485 35.3712 38.5159
+S   35.3660 35.2759 38.4336
+S   35.3989 35.2563 38.3913
+S   35.5062 35.3376 38.4412
+S   35.5653 35.3716 38.4951
+S   35.6142 35.3667 38.4888
+S   35.6046 35.3890 38.4462
+S   35.6791 35.3814 38.4137
+S   35.6756 35.4195 38.3536
+S   35.5872 35.4193 38.3707
+S   35.5554 35.4105 38.4483
+S   35.5533 35.3862 38.4771
+S   35.5306 35.3451 38.4934
+S   35.5641 35.3777 38.5750
+S   35.5146 35.3109 38.5960
+S   35.4419 35.2781 38.6177
+S   35.3845 35.2707 38.5417
+S   35.3573 35.2934 38.5708
+S   35.3798 35.3446 38.5945
+S   35.3768 35.3852 38.5968
+S   35.3214 35.3626 38.4742
+S   35.2976 35.3617 38.2873
+S   35.3140 35.4669 38.2197
+S   35.4007 35.5761 38.3553
+S   35.4930 35.5966 38.4961
+S   35.4996 35.5426 38.5215
+S   35.4613 35.5021 38.5317
+S   35.4082 35.5165 38.5005
+S   35.4112 35.5232 38.4168
+S   35.3961 35.5233 38.3588
+S   35.3415 35.5886 38.3006
+S   35.3876 35.5925 38.2860
+S   35.4033 35.6369 38.3210
+S   35.4904 35.6697 38.3713
+S   35.5030 35.6435 38.4532
+S   35.5481 35.5696 38.6470
+S   35.4989 35.4633 38.7606
+S   35.5377 35.4109 38.8091
+S   35.6562 35.3609 38.8249
+S   35.6766 35.3735 38.7581
+S   35.6489 35.3844 38.6363
+S   35.6037 35.2851 38.5625
+S   35.5323 35.3963 38.4946
+S   35.4991 35.4546 38.4582
+S   35.4554 35.4060 38.5153
+S   35.4171 35.4264 38.5763
+S   35.3913 35.4927 38.5633
+S   35.4877 35.5323 38.5619
+S   35.5396 35.5806 38.5081
+S   35.4682 35.5386 38.4687
+S   35.5120 35.5381 38.4802
+S   35.5161 35.6482 38.4260
+S   35.4430 35.6643 38.4044
+S   35.4694 35.5671 38.5144
+S   35.4999 35.5187 38.5223
+S   35.4981 35.5264 38.4299
+S   35.4983 35.4752 38.4687
+S   35.5132 35.4405 38.4662
+S   35.5141 35.4132 38.4511
+S   35.5526 35.3944 38.4591
+S   35.5574 35.3787 38.4876
+S   35.4946 35.3653 38.5249
+S   35.3500 35.4074 38.5345
+S   35.3601 35.3655 38.4794
+S   35.4147 35.3814 38.4357
+S   35.5858 35.4204 38.4608
+S   35.7628 35.4661 38.4573
+S   35.7078 35.5263 38.4611
+S   35.5934 35.4839 38.4535
+S   35.4845 35.5200 38.5140
+S   35.4623 35.5251 38.5399
+S   35.4886 35.5539 38.3982
+S   35.5165 35.5839 38.3124
+S   35.4880 35.5909 38.2683
+S   35.4390 35.5709 38.3870
+S   35.4265 35.6326 38.5354
+S   35.4110 35.6937 38.6056
+S   35.4193 35.7227 38.5718
+S   35.4634 35.6493 38.5782
+S   35.4118 35.6223 38.4900
+S   35.5037 35.5195 38.4116
+S   35.5492 35.4336 38.3196
+S   35.5497 35.4504 38.3592
+S   35.4201 35.4462 38.5078
+S   35.4180 35.3889 38.5742
+S   35.5101 35.4001 38.6481
+S   35.4991 35.4743 38.5962
+S   35.4082 35.5620 38.5061
+S   35.3707 35.5798 38.5795
+S   35.4628 35.5987 38.6584
+S   35.4693 35.6759 38.5711
+S   35.4586 35.6902 38.5190
+S   35.4305 35.6940 38.4288
+S   35.5245 35.8188 38.4205
+S   35.6832 35.9033 38.5008
+S   35.7809 35.9252 38.5173
+S   35.7755 35.8437 38.4618
+S   35.8270 35.7156 38.5577
+S   35.8170 35.6347 38.5525
+S   35.8070 35.5786 38.4851
+S   35.8072 35.5248 38.4979
+S   35.7596 35.4929 38.4886
+S   35.7196 35.4146 38.4628
+S   35.7180 35.3770 38.4379
+S   35.6685 35.3859 38.3935
+S   35.7090 35.3263 38.4707
+S   35.6846 35.3482 38.5045
+S   35.5814 35.4607 38.4078
+S   35.5635 35.4775 38.4378
+S   35.5652 35.4867 38.4513
+S   35.5618 35.5392 38.5003
+S   35.5221 35.5641 38.5035
+S   35.5575 35.5424 38.5282
+S   35.5376 35.4803 38.6249
+S   35.4936 35.3811 38.6435
+S   35.4785 35.3465 38.5322
+S   35.4661 35.4053 38.3965
+S   35.5031 35.4132 38.4127
+S   35.4602 35.3371 38.3558
+S   35.4447 35.2758 38.3767
+S   35.4835 35.1935 38.4669
+S   35.4867 35.2576 38.5167
+S   35.5109 35.3823 38.6354
+S   35.4857 35.5101 38.6975
+S   35.4928 35.6300 38.7181
+S   35.5406 35.7285 38.7568
+S   35.5769 35.6797 38.7714
+S   35.6677 35.6370 38.6925
+S   35.7057 35.5522 38.5585
+S   35.5576 35.5472 38.4453
+S   35.5756 35.5149 38.3805
+S   35.6289 35.5476 38.4023
+S   35.5782 35.5888 38.4536
+S   35.5275 35.5270 38.5267
+S   35.5229 35.4205 38.5987
+S   35.4132 35.4468 38.6483
+S   35.4095 35.5052 38.6754
+S   35.5290 35.4684 38.6059
+S   35.5145 35.4613 38.6051
+S   35.4026 35.4261 38.5256
+S   35.3611 35.4926 38.4541
+S   35.3101 35.5679 38.5222
+S   35.3118 35.6915 38.5278
+S   35.3679 35.6516 38.4706
+S   35.3956 35.4924 38.4620
+S   35.3778 35.3904 38.4580
+S   35.3782 35.3952 38.4112
+S   35.3838 35.5022 38.3858
+S   35.3959 35.4379 38.3503
+S   35.5216 35.3992 38.4033
+S   35.6109 35.4454 38.3833
+S   35.6664 35.5731 38.3754
+S   35.7869 35.6518 38.4954
+S   35.7822 35.6880 38.6292
+S   35.7070 35.7364 38.6687
+S   35.6992 35.6184 38.6386
+S   35.6381 35.4645 38.5968
+S   35.5601 35.3580 38.5633
+S   35.5627 35.4063 38.5989
+S   35.6418 35.4785 38.6731
+S   35.6457 35.5203 38.6819
+S   35.5857 35.5522 38.7099
+S   35.5195 35.5976 38.7354
+S   35.5600 35.5532 38.7370
+S   35.5829 35.5165 38.6328
+S   35.6262 35.4550 38.4340
+S   35.6521 35.2857 38.4615
+S   35.5753 35.2508 38.4672
+S   35.6044 35.3329 38.4887
+S   35.6165 35.4316 38.4412
+S   35.5629 35.5354 38.4112
+S   35.5608 35.4617 38.4528
+S   35.5332 35.4710 38.4908
+S   35.5557 35.5242 38.5807
+S   35.4857 35.6229 38.6229
+S   35.4180 35.6203 38.6052
+S   35.3370 35.5513 38.6017
+S   35.3746 35.4569 38.6798
+S   35.3823 35.4049 38.6651
+S   35.4449 35.4761 38.6530
+S   35.5836 35.6279 38.6821
+S   35.5427 35.7053 38.5938
+S   35.4979 35.7254 38.5301
+S   35.5107 35.6791 38.5103
+S   35.5461 35.6465 38.6394
+S   35.5540 35.6724 38.7593
+S   35.5813 35.6399 38.7855
+S   35.6447 35.5690 38.8586
+S   35.6331 35.6031 38.7771
+S   35.6069 35.5945 38.6765
+S   35.5245 35.5871 38.6846
+S   35.5240 35.5282 38.6480
+S   35.5583 35.5146 38.5906
+S   35.5504 35.5087 38.5279
+S   35.5274 35.4858 38.5831
+S   35.5127 35.6324 38.6299
+S   35.4761 35.6780 38.5458
+S   35.4825 35.5979 38.5134
+S   35.4410 35.4984 38.4559
+S   35.4810 35.4587 38.4078
+S   35.5737 35.4001 38.3873
+S   35.7094 35.3675 38.3502
+S   35.7166 35.4229 38.4111
+S   35.6371 35.5492 38.5145
+S   35.5494 35.5903 38.5109
+S   35.6087 35.5875 38.5531
+S   35.5690 35.5831 38.5541
+S   35.5424 35.5909 38.5117
+S   35.4677 35.5894 38.5034
+S   35.4703 35.5393 38.5620
+S   35.5566 35.5192 38.5930
+S   35.5782 35.4692 38.5479
+S   35.5225 35.4828 38.4331
+S   35.5230 35.5029 38.4102
+S   35.5423 35.6057 38.4033
+S   35.5578 35.5720 38.3684
+S   35.5972 35.5005 38.3364
+S   35.5784 35.4815 38.3551
+S   35.5914 35.5914 38.4334
+S   35.5604 35.5604 38.4470
+S   35.4686 35.5649 38.4368
+S   35.4351 35.6669 38.4776
+S   35.4344 35.6760 38.4730
+S   35.4431 35.6611 38.4593
+S   35.4713 35.6026 38.4769
+S   35.4358 35.5847 38.4677
+S   35.3985 35.5823 38.4048
+S   35.3819 35.5816 38.3800
+S   35.4547 35.4755 38.4369
+S   35.4520 35.4019 38.4190
+S   35.4439 35.4082 38.3431
+S   35.4686 35.3375 38.4115
+S   35.4960 35.3218 38.5195
+S   35.5339 35.3100 38.6353
+S   35.5773 35.3020 38.6621
+S   35.5558 35.2964 38.5989
+S   35.5073 35.3799 38.5165
+S   35.4539 35.4070 38.6431
+S   35.4092 35.4051 38.7617
+S   35.3453 35.5331 38.7362
+S   35.3772 35.5902 38.7921
+S   35.4455 35.5914 38.7411
+S   35.5097 35.5565 38.5726
+S   35.5547 35.4704 38.4872
+S   35.5294 35.4465 38.4341
+S   35.5162 35.4562 38.3179
+S   35.4975 35.5135 38.2777
+S   35.5347 35.5743 38.3040
+S   35.5457 35.5793 38.3558
+S   35.4719 35.5588 38.3640
+S   35.5231 35.4553 38.3467
+S   35.5987 35.3550 38.2881
+S   35.5506 35.4011 38.3471
+S   35.4839 35.4971 38.3551
+S   35.4562 35.6092 38.3447
+S   35.4292 35.5347 38.3988
+S   35.4531 35.4627 38.4867
+S   35.4327 35.4990 38.5124
+S   35.3949 35.5947 38.4794
+S   35.4492 35.6391 38.4317
+S   35.4442 35.6592 38.5020
+S   35.3960 35.5401 38.4609
+S   35.3862 35.3858 38.5065
+S   35.3608 35.3751 38.6234
+S   35.2557 35.3922 38.5806
+S   35.1893 35.4252 38.4875
+S   35.2256 35.4732 38.4646
+S   35.2524 35.5284 38.4191
+S   35.2949 35.4788 38.3891
+S   35.3216 35.5092 38.3444
+S   35.4069 35.5125 38.4186
+S   35.4096 35.5092 38.5434
+S   35.4219 35.5434 38.5152
+S   35.3786 35.4600 38.6245
+S   35.3674 35.3325 38.6816
+S   35.4335 35.3534 38.6736
+S   35.4885 35.4224 38.7106
+S   35.5611 35.4248 38.7355
+S   35.5514 35.3768 38.6902
+S   35.5595 35.3908 38.7135
+S   35.5473 35.3902 38.6433
+S   35.5309 35.3767 38.5161
+S   35.4872 35.3350 38.4670
+S   35.4225 35.3309 38.4341
+S   35.3895 35.3391 38.3406
+S   35.4624 35.3464 38.4427
+S   35.4442 35.4273 38.5256
+S   35.4055 35.4512 38.5065
+S   35.3818 35.4122 38.5204
+S   35.4596 35.3761 38.5209
+S   35.5313 35.5102 38.4511
+S   35.5367 35.6834 38.4642
+S   35.5375 35.7087 38.3506
+S   35.5732 35.5637 38.3306
+S   35.5272 35.4851 38.3926
+S   35.4437 35.4598 38.4842
+S   35.4124 35.4417 38.5878
+S   35.4158 35.4102 38.5919
+S   35.4036 35.4609 38.6213
+S   35.4201 35.5433 38.5598
+S   35.4854 35.5663 38.4844
+S   35.5664 35.5663 38.3835
+S   35.6343 35.5993 38.3792
+S   35.5967 35.5621 38.4339
+S   35.5130 35.5005 38.4303
+S   35.5210 35.4635 38.5641
+S   35.4705 35.4867 38.7143
+S   35.4348 35.5329 38.6869
+S   35.4693 35.4841 38.5666
+S   35.4676 35.4008 38.5642
+S   35.3581 35.3816 38.6273
+S   35.3280 35.4260 38.5991
+S   35.3425 35.4921 38.5449
+S   35.2971 35.5576 38.4858
+S   35.2511 35.6436 38.4838
+S   35.3206 35.6720 38.5240
+S   35.4100 35.6559 38.5626
+S   35.5509 35.5613 38.5377
+S   35.6446 35.5959 38.6164
+S   35.6323 35.5981 38.5795
+S   35.5747 35.6221 38.6248
+S   35.5606 35.6553 38.5365
+S   35.5620 35.6417 38.4660
+S   35.6311 35.5254 38.5124
+S   35.7302 35.4765 38.4309
+S   35.7728 35.4756 38.4451
+S   35.6868 35.4424 38.4284
+S   35.6199 35.3512 38.4240
+S   35.6662 35.3059 38.4013
+S   35.6702 35.3576 38.3791
+S   35.6096 35.4284 38.4188
+S   35.4648 35.5042 38.4405
+S   35.4546 35.5151 38.4684
+S   35.5283 35.5464 38.4710
+S   35.5196 35.4844 38.5039
+S   35.4931 35.5239 38.5723
+S   35.5147 35.5877 38.6046
+S   35.5907 35.6290 38.5845
+S   35.6605 35.7116 38.6243
+S   35.7429 35.8486 38.6677
+S   35.7817 35.8346 38.6080
+S   35.7167 35.8692 38.5183
+S   35.6385 35.7291 38.5141
+S   35.5646 35.4594 38.4737
+S   35.5113 35.3789 38.4192
+S   35.5574 35.3806 38.3335
+S   35.5836 35.4176 38.3019
+S   35.5711 35.4945 38.3196
+S   35.6520 35.5559 38.2990
+S   35.7295 35.5543 38.3405
+S   35.7466 35.5860 38.3771
+S   35.7124 35.6911 38.4213
+S   35.7080 35.6893 38.4026
+S   35.6941 35.6220 38.4275
+S   35.5932 35.6270 38.5606
+S   35.5253 35.6306 38.5695
+S   35.5187 35.5533 38.5724
+S   35.4642 35.5374 38.5404
+S   35.4192 35.5782 38.5202
+S   35.3413 35.5986 38.4905
+S   35.2617 35.6361 38.5064
+S   35.3189 35.5875 38.5341
+S   35.4228 35.5537 38.5060
+S   35.4558 35.5085 38.4584
+S   35.5455 35.4777 38.4402
+S   35.5277 35.4609 38.4783
+S   35.4662 35.6146 38.4468
+S   35.5177 35.6319 38.4035
+S   35.5531 35.4701 38.3570
+S   35.5401 35.3285 38.2510
+S   35.4880 35.3384 38.2796
+S   35.5315 35.3469 38.3616
+S   35.5392 35.3733 38.4427
+S   35.5172 35.4838 38.4446
+S   35.4750 35.5620 38.4093
+S   35.4722 35.5259 38.5376
+S   35.4762 35.4756 38.6332
+S   35.4880 35.4274 38.6863
+S   35.4261 35.3821 38.7372
+S   35.2210 35.3280 38.7105
+S   35.1455 35.3691 38.6564
+S   35.1900 35.3729 38.6514
+S   35.2656 35.3543 38.6752
+S   35.2680 35.2894 38.7829
+S   35.3508 35.2667 38.7851
+S   35.5053 35.2276 38.7131
+S   35.4569 35.2628 38.6423
+S   35.3801 35.2976 38.6565
+S   35.3814 35.3398 38.8067
+S   35.4387 35.4950 38.8249
+S   35.4641 35.6845 38.7307
+S   35.4278 35.7022 38.7000
+S   35.3779 35.7435 38.6210
+S   35.3679 35.7071 38.5816
+S   35.3038 35.7539 38.5770
+S   35.3794 35.7354 38.5927
+S   35.4679 35.6948 38.6619
+S   35.6080 35.6276 38.5982
+S   35.5874 35.5505 38.5609
+S   35.4640 35.5386 38.5122
+S   35.3816 35.4105 38.4258
+S   35.3823 35.2461 38.4481
+S   35.4254 35.2558 38.4447
+S   35.5054 35.2428 38.4453
+S   35.6002 35.1810 38.4208
+S   35.6195 33.7309 38.3015
+S   35.4714 31.6238 38.1999
+S   35.5529 30.5528 38.2607
+S   35.6765 29.8593 38.3087
+S   35.8603 29.4495 38.2439
+S   35.9076 29.3131 38.2081
+S   35.9693 29.2164 38.2125
+S   36.1527 29.2163 38.3407
+S   36.2882 29.3525 38.4709
+S   36.4240 29.5743 38.6224
+S   36.5839 29.8463 38.6954
+S   36.7127 30.0188 38.8259
+S   36.6981 30.2418 39.0086
+S   36.6944 30.4334 39.1743
+S   36.6766 30.5919 39.3410
+S   36.6861 30.7545 39.4972
+S   36.6181 31.0214 39.6397
+S   36.5959 31.3060 39.7677
+S   36.5650 31.4589 39.8289
+S   36.5981 31.5820 39.8802
+S   36.5656 31.6378 39.8228
+S   36.4788 31.7711 39.7085
+S   36.3765 31.8835 39.6349
+S   36.2948 31.9994 39.5989
+S   36.1342 32.0993 39.5976
+S   36.0640 32.2650 39.6351
+S   35.9788 32.3625 39.6410
+S   35.8899 32.3303 39.5943
+S   35.8711 32.3148 39.6668
+S   35.8066 32.3626 39.6703
+S   35.7912 32.3113 39.7017
+S   35.7891 32.2293 39.7063
+S   35.7477 32.1524 39.6661
+S   35.7220 32.1736 39.6258
+S   35.5443 32.1946 39.5144
+S   35.4772 32.2708 39.4814
+S   35.5171 32.3157 39.5650
+S   35.5127 32.2507 39.5695
+S   35.4832 32.2428 39.4947
+S   35.3437 32.2106 39.4531
+S   35.2790 32.1313 39.4427
+S   35.2397 32.1142 39.3745
+S   35.1835 32.1704 39.3134
+S   35.1556 32.1716 39.3232
+S   35.0808 32.2001 39.3338
+S   34.8792 32.3044 39.3904
+S   34.6979 32.2782 39.4263
+S   34.5786 32.2759 39.4981
+S   34.5070 32.3455 39.5598
+S   34.4750 32.3953 39.5234
+S   34.4624 32.4688 39.5740
+S   34.4798 32.5266 39.7397
+S   34.4910 32.5775 39.7817
+S   34.4463 32.6751 39.7491
+S   34.3470 32.6732 39.7424
+S   34.2553 32.6809 39.7411
+S   34.1900 32.5975 39.8182
+S   34.1767 32.5826 39.9344
+S   34.1691 32.5946 39.9510
+S   34.0800 32.5058 39.8176
+S   33.9441 32.4330 39.8343
+S   33.8327 32.4742 39.8446
+S   33.7593 32.5558 39.9238
+S   33.7729 32.6350 39.9782
+S   33.8456 32.6301 39.9219
+S   33.8388 32.5707 39.8799
+S   33.7220 32.5644 39.7963
+S   33.6262 32.5522 39.8296
+S   33.5087 32.4839 39.9346
+S   33.4660 32.3505 39.9636
+S   33.4569 32.2049 40.0018
+S   33.4646 32.0819 39.8812
+S   33.5216 31.9454 39.7721
+S   33.6214 31.8827 39.6966
+S   33.7386 31.8906 39.6650
+S   33.7355 31.9899 39.6916
+S   33.7492 32.0306 39.7858
+S   33.7316 31.9598 39.8556
+S   33.7364 31.8826 39.9045
+S   33.7412 31.7843 39.9622
+S   33.7352 31.6973 40.0074
+S   33.7505 31.5581 39.9632
+S   33.7168 31.3539 39.8770
+S   33.5950 31.2214 39.7463
+S   33.5099 31.2116 39.5699
+S   33.5273 31.2269 39.5933
+S   33.6558 31.2076 39.6449
+S   33.7557 31.2350 39.7115
+S   33.8747 31.2667 39.7587
+S   33.8158 31.2094 39.7287
+S   33.7204 31.1911 39.8228
+S   33.7396 31.1113 39.9027
+S   33.7511 30.9696 39.9819
+S   33.7606 30.9479 40.0255
+S   33.6806 30.8965 39.9774
+S   33.6869 30.8250 39.9433
+S   33.5726 30.8106 39.9340
+S   33.5058 30.7399 39.9683
+S   33.5104 30.7237 39.9438
+S   33.4933 30.5790 39.8911
+S   33.4772 30.4064 39.8213
+S   33.5040 30.2318 39.7961
+S   33.5087 30.1485 39.9125
+S   33.5664 30.1512 39.9739
+S   33.5989 30.1551 40.0380
+S   33.6657 30.2436 40.0211
+S   33.6316 30.3643 39.9150
+S   33.6908 30.3897 39.7468
+S   33.7840 30.2732 39.6732
+S   33.8830 30.2293 39.6043
+S   34.0868 30.1759 39.6329
+S   34.3027 30.1538 39.6090
+S   34.5022 30.2492 39.6634
+S   34.6775 30.3572 39.6868
+S   34.8046 30.3427 39.5797
+S   34.9468 30.2192 39.5388
+S   35.0201 30.1289 39.4540
+S   35.0790 30.1010 39.4326
+S   35.1188 30.0098 39.5964
+S   35.1748 29.9119 39.7320
+S   35.2035 29.9118 39.9567
+S   35.2804 29.8485 40.0751
+S   35.3621 29.8843 40.2575
+S   35.3514 29.8917 40.4719
+S   35.4420 29.9598 40.6202
+S   35.5858 30.0157 40.7650
+S   35.7176 30.0789 40.8433
+S   35.8067 30.0788 40.9069
+S   35.9251 30.0432 40.9569
+S   35.9831 30.0101 40.9872
+S   36.1421 30.0192 41.0421
+S   36.2013 30.0023 41.0679
+S   36.3015 29.9295 41.0565
+S   36.3505 29.9284 41.1717
+S   36.3822 30.0316 41.2226
+S   36.4692 30.0741 41.2005
+S   36.6067 30.1314 41.2855
+S   36.6721 30.1814 41.2995
+S   36.6615 30.1454 41.3736
+S   36.6173 30.0124 41.4128
+S   36.5502 29.9010 41.4880
+S   36.5960 29.7540 41.4392
+S   36.6654 29.5927 41.3924
+S   36.6232 29.4970 41.3613
+S   36.5022 29.4523 41.3272
+S   36.4491 29.4053 41.2504
+S   36.4351 29.4200 41.2435
+S   36.4815 29.3992 41.2778
+S   36.5995 29.2674 41.3764
+S   36.6895 29.2375 41.4657
+S   36.7290 29.3437 41.5477
+S   36.7187 29.4987 41.6851
+S   36.7194 29.5571 41.8224
+S   36.6692 29.5567 41.9428
+S   36.6511 29.4772 41.9229
+S   36.6612 29.4996 41.8260
+S   36.6401 29.5085 41.7127
+S   36.6428 29.4660 41.7146
+S   36.6671 29.3953 41.7340
+S   36.7191 29.4434 41.7479
+S   36.8265 29.4912 41.7709
+S   36.8427 29.5365 41.6823
+S   36.8371 29.4603 41.6970
+S   36.8440 29.3275 41.6947
+S   36.8252 29.2435 41.6285
+S   36.8251 29.1279 41.5707
+S   36.7729 29.0012 41.5903
+S   36.7582 28.8748 41.6102
+S   36.7728 28.6559 41.6158
+S   36.8354 28.4717 41.5814
+S   36.8831 28.2571 41.5260
+S   36.9559 28.1067 41.5060
+S   37.0909 28.0588 41.4924
+S   37.1774 28.0721 41.4915
+S   37.2695 28.1420 41.3530
+S   37.4150 28.2205 41.3080
+S   37.5560 28.3092 41.4114
+S   37.6361 28.3307 41.4520
+S   37.7914 28.2987 41.4725
+S   37.8722 28.3775 41.3078
+S   37.9531 28.3521 41.2057
+S   38.0075 28.2613 41.1810
+S   38.0859 28.2578 41.2083
+S   38.1222 28.3661 41.2990
+S   38.2452 28.5472 41.3991
+S   38.3483 28.7047 41.4344
+S   38.3247 28.9043 41.4339
+S   38.3303 29.1041 41.3979
+S   38.3882 29.1352 41.3169
+S   38.5499 29.0754 41.2508
+S   38.7494 29.1363 41.1750
+S   38.8949 29.1801 41.2964
+S   38.9169 29.2773 41.3574
+S   38.8971 29.4679 41.3592
+S   38.9186 29.7147 41.4364
+S   38.9402 29.9261 41.5622
+S   38.9036 30.1449 41.5750
+S   38.8974 30.2562 41.6140
+S   38.9190 30.3541 41.5956
+S   38.8970 30.5487 41.5911
+S   38.8380 30.7433 41.6254
+S   38.7902 30.8594 41.6086
+S   38.7688 30.9006 41.6372
+S   38.8689 30.9590 41.6051
+S   38.9294 30.9533 41.5680
+S   38.9301 30.8898 41.5730
+S   38.9973 30.8980 41.5686
+S   38.9803 30.9730 41.5709
+S   38.9312 31.1098 41.5061
+S   38.8894 31.2228 41.4247
+S   38.8528 31.3241 41.2662
+S   38.8156 31.3647 41.2010
+S   38.8378 31.3101 41.2510
+S   38.8168 31.3538 41.2238
+S   38.7754 31.4597 41.2223
+S   38.5338 31.4663 41.2576
+S   38.3749 31.4845 41.2538
+S   38.3208 31.4892 41.2632
+S   38.2127 31.4144 41.2029
+S   38.1257 31.4341 41.1746
+S   38.1320 31.4476 41.0939
+S   38.1094 31.4189 41.1455
+S   38.1579 31.3741 41.2379
+S   38.1939 31.3956 41.3461
+S   38.2073 31.5225 41.4833
+S   38.1394 31.6377 41.5205
+S   38.0556 31.6551 41.5708
+S   37.8896 31.7067 41.6350
+S   37.6665 31.7019 41.6478
+S   37.5234 31.7310 41.6471
+S   37.4016 31.7355 41.7138
+S   37.2846 31.7754 41.7278
+S   37.1643 31.8322 41.6849
+S   37.0391 31.8572 41.7031
+S   36.9525 31.8613 41.7049
+S   36.9706 31.9303 41.7477
+S   36.8703 32.0836 41.8591
+S   36.7944 32.2170 41.9676
+S   36.8000 32.3497 42.1227
+S   36.8164 32.4198 42.2100
+S   36.8457 32.4963 42.2604
+S   36.9264 32.4939 42.3820
+S   36.9491 32.5378 42.4991
+S   36.8673 32.6220 42.5447
+S   36.7775 32.6726 42.5543
+S   36.7306 32.7428 42.5057
+S   36.6512 32.7451 42.5206
+S   36.5159 32.6589 42.6061
+S   36.4021 32.6970 42.7217
+S   36.4158 32.7425 42.8590
+S   36.4099 32.7804 42.9399
+S   36.4123 32.8629 43.0037
+S   36.4402 32.9950 43.0820
+S   36.3711 33.0294 43.2692
+S   36.4176 33.0083 43.4465
+S   36.5501 33.0262 43.5294
+S   36.6203 33.0662 43.4963
+S   36.5874 33.0004 43.4944
+S   36.5494 32.8844 43.4102
+S   36.4294 32.8875 43.3315
+S   36.4302 32.7627 43.2910
+S   36.4824 32.6485 43.2392
+S   36.5095 32.6162 43.2910
+S   36.5523 32.6802 43.2341
+S   36.5383 32.7936 43.2384
+S   36.4490 32.7880 43.2605
+S   36.3696 32.7276 43.2346
+S   36.3977 32.6597 43.2641
+S   36.4895 32.6634 43.3114
+S   36.5460 32.6684 43.3334
+S   36.4912 32.6304 43.4109
+S   36.4027 32.6282 43.3598
+S   36.3709 32.6339 43.2746
+S   36.3314 32.5732 43.3084
+S   36.2864 32.5060 43.3089
+S   36.2989 32.3634 43.3084
+S   36.3743 32.2686 43.3575
+S   36.3809 32.1814 43.3815
+S   36.4375 31.9017 43.3759
+S   36.3432 31.6890 43.4114
+S   36.3089 31.4770 43.4568
+S   36.2986 31.4133 43.4167
+S   36.4163 31.2942 43.4235
+S   36.4113 31.2035 43.4637
+S   36.4126 31.2763 43.4332
+S   36.4214 31.3016 43.4697
+S   36.4055 31.1891 43.4667
+S   36.4117 31.1274 43.4354
+S   36.4085 31.1611 43.4308
+S   36.3944 31.1848 43.5651
+S   36.4911 31.2469 43.5668
+S   36.5371 31.2884 43.6362
+S   36.5768 31.2539 43.7405
+S   36.5400 31.2259 43.8321
+S   36.4944 31.1408 43.8015
+S   36.2983 31.0274 43.7796
+S   36.3202 30.8880 43.7117
+S   36.3840 30.7801 43.6912
+S   36.4536 30.7410 43.6083
+S   36.4371 30.7707 43.5003
+S   36.4620 30.6869 43.4872
+S   36.5739 30.5967 43.4785
+S   36.6738 30.5768 43.5381
+S   36.6582 30.5876 43.5743
+S   36.5575 30.5021 43.5119
+S   36.4655 30.4011 43.4413
+S   36.4141 30.3492 43.4010
+S   36.4271 30.2263 43.4980
+S   36.4739 30.1878 43.5258
+S   36.5225 30.2492 43.5755
+S   36.5453 30.3341 43.5317
+S   36.5821 30.3616 43.5309
+S   36.6973 30.3386 43.4719
+S   36.7230 30.3676 43.4537
+S   36.7080 30.3234 43.4966
+S   36.7467 30.1817 43.5076
+S   36.7316 30.0788 43.4431
+S   36.6696 30.0384 43.3815
+S   36.6830 30.0084 43.4112
+S   36.6922 29.8904 43.3537
+S   36.7433 29.6667 43.3947
+S   36.8090 29.5633 43.3769
+S   36.7643 29.5123 43.3811
+S   36.7484 29.5165 43.4255
+S   36.6802 29.4242 43.5619
+S   36.6745 29.2911 43.6625
+S   36.7176 29.1234 43.7130
+S   36.7434 29.0475 43.7987
+S   36.7841 28.8870 43.8317
+S   36.8447 28.7786 43.8507
+S   36.7506 28.6974 43.9208
+S   36.6860 28.5371 44.0320
+S   36.6249 28.5684 44.0250
+S   36.5989 28.5753 43.9789
+S   36.6131 28.4701 43.9051
+S   36.6043 28.4052 43.8737
+S   36.5551 28.3474 43.9776
+S   36.4556 28.2628 44.0464
+S   36.3881 28.2556 43.9663
+S   36.3692 28.2434 43.9258
+S   36.4092 28.1789 43.9891
+S   36.4010 28.1567 43.9888
+S   36.3442 28.1699 43.8844
+S   36.3174 28.1866 43.8029
+S   36.2623 28.2261 43.7626
+S   36.2895 28.1990 43.7743
+S   36.3432 28.1312 43.7180
+S   36.3142 28.0379 43.8157
+S   36.2475 27.9462 43.8037
+S   36.2303 27.8785 43.7937
+S   36.2077 27.8477 43.8393
+S   36.2528 27.7957 43.8334
+S   36.1818 27.6936 43.9148
+S   36.1479 27.7092 43.9398
+S   36.1413 27.7091 43.8755
+S   36.1235 27.7017 43.8135
+S   36.1065 27.6385 43.6521
+S   36.0491 27.6097 43.4734
+S   35.9425 27.6154 43.4638
+S   35.8815 27.6102 43.4670
+S   35.8326 27.5688 43.5084
+S   35.7035 27.5075 43.5261
+S   35.5319 27.4242 43.5411
+S   35.3238 27.3724 43.5434
+S   35.0583 27.3879 43.5688
+S   34.9675 27.5324 43.5705
+S   34.9609 27.7227 43.6130
+S   34.8818 27.8565 43.6932
+S   34.7520 27.9224 43.6901
+S   34.7105 28.0149 43.7726
+S   34.6764 28.1177 43.7809
+S   34.6295 28.1508 43.7823
+S   34.5703 28.1947 43.7122
+S   34.4673 28.1376 43.7733
+S   34.3429 27.9882 43.7937
+S   34.2268 27.9984 43.8713
+S   34.1521 28.1507 43.8975
+S   34.1393 28.1451 43.8999
+S   34.0663 27.9411 43.8684
+S   33.9234 27.9003 43.8088
+S   33.8313 27.8772 43.8737
+S   33.7940 27.8949 43.8996
+S   33.7503 27.9301 43.9067
+S   33.7094 27.9350 43.9203
+S   33.6865 27.9395 44.0191
+S   33.7078 27.9145 44.1195
+S   33.7606 27.8284 44.1689
+S   33.7812 27.6879 44.2031
+S   33.7993 27.5863 44.3089
+S   33.7642 27.4692 44.3664
+S   33.7465 27.3640 44.3889
+S   33.6738 27.4532 44.4694
+S   33.7067 27.5162 44.5567
+S   33.7023 27.5889 44.6794
+S   33.7753 27.6124 44.7466
+S   33.8314 27.6288 44.7196
+S   33.7051 27.6088 44.6679
+S   33.6609 27.5678 44.7135
+S   33.6121 27.5208 44.6563
+S   33.5261 27.5564 44.7577
+S   33.4515 27.5843 44.7743
+S   33.5582 27.5168 44.7623
+S   33.6469 27.4250 44.7570
+S   33.5770 27.4018 44.8399
+S   33.4962 27.3732 44.8397
+S   33.5181 27.4231 44.8558
+S   33.5632 27.4688 44.8279
+S   33.6487 27.4919 44.8327
+S   33.7096 27.6221 44.8842
+S   33.7511 27.7469 45.0011
+S   33.6712 27.7781 45.0777
+S   33.6297 27.8488 45.0439
+S   33.5822 27.8170 45.0932
+S   33.5508 27.8159 45.0659
+S   33.5243 27.7805 45.1034
+S   33.5803 27.7078 45.1981
+S   33.5917 27.7304 45.2886
+S   33.5060 27.6999 45.3563
+S   33.5367 27.6190 45.4904
+S   33.5230 27.5244 45.5570
+S   33.5295 27.5729 45.6890
+S   33.5976 27.5944 45.7807
+S   33.5985 27.6225 45.7861
+S   33.6440 27.6322 45.7747
+S   33.6498 27.5942 45.7528
+S   33.6297 27.5750 45.7315
+S   33.5631 27.5831 45.7881
+S   33.4971 27.5739 45.7946
+S   33.4316 27.5465 45.7622
+S   33.3871 27.4852 45.7138
+S   33.4143 27.4684 45.7309
+S   33.5022 27.5000 45.7244
+S   33.4838 27.5549 45.7843
+S   33.4327 27.5754 45.7993
+S   33.4234 27.5642 45.8174
+S   33.4442 27.5293 45.8855
+S   33.4614 27.5558 45.8228
+S   33.4459 27.5241 45.7441
+S   33.4620 27.5232 45.7514
+S   33.4330 27.5672 45.7498
+S   33.4794 27.6062 45.6892
+S   33.5449 27.5889 45.7008
+S   33.5699 27.6519 45.7202
+S   33.4986 27.6661 45.7112
+S   33.4231 27.6317 45.7713
+S   33.4336 27.4382 45.8108
+S   33.5209 27.1954 45.8572
+S   33.5301 26.8087 45.9024
+S   33.4341 26.3232 45.8815
+S   33.3962 25.9967 45.8167
+S   33.4740 25.8887 45.6673
+S   33.4963 25.7036 45.5474
+S   33.5986 25.5289 45.3590
+S   33.6699 25.3764 45.0787
+S   33.7485 25.3825 44.9597
+S   33.8794 25.4738 44.8481
+S   33.8963 25.5196 44.6638
+S   33.9408 25.4159 44.5436
+S   34.0565 25.3899 44.4445
+S   34.2107 25.4586 44.3207
+S   34.3524 25.5167 44.2454
+S   34.5354 25.5195 44.1096
+S   34.6763 25.4024 44.0109
+S   34.7205 25.3760 44.0100
+S   34.7646 25.3675 44.0606
+S   34.8372 25.4155 44.1928
+S   34.9026 25.3829 44.2830
+S   34.9676 25.4036 44.2981
+S   35.0409 25.3863 44.3362
+S   35.0552 25.3692 44.3726
+S   35.1024 25.4247 44.4044
+S   35.1409 25.4402 44.3353
+S   35.1998 25.4864 44.2552
+S   35.3428 25.6627 44.2159
+S   35.4257 25.7797 44.2861
+S   35.4475 25.7955 44.2348
+S   35.5254 25.8265 44.1666
+S   35.6408 25.8324 44.1235
+S   35.6877 25.8410 44.1187
+S   35.6840 25.7453 44.1750
+S   35.7386 25.6629 44.2683
+S   35.7540 25.5521 44.2988
+S   35.7409 25.4797 44.3514
+S   35.8394 25.3992 44.3254
+S   35.9045 25.3683 44.3624
+S   35.9885 25.4580 44.4811
+S   35.9283 25.4587 44.4963
+S   35.9342 25.3892 44.4781
+S   35.9774 25.3745 44.4452
+S   36.1075 25.3930 44.4722
+S   36.0807 25.4094 44.5101
+S   36.0364 25.3690 44.4680
+S   35.9894 25.3914 44.3890
+S   35.9360 25.2850 44.4407
+S   35.8712 25.2473 44.4600
+S   35.8661 25.1696 44.4891
+S   35.9088 25.0182 44.6318
+S   35.8558 24.8842 44.7579
+S   35.8117 24.9181 44.8838
+S   35.8820 24.9977 44.9331
+S   35.8374 25.0552 45.0631
+S   35.8363 25.1205 45.1734
+S   35.9394 25.0448 45.2889
+S   35.9560 24.9888 45.3276
+S   35.9602 24.9588 45.5199
+S   35.9936 24.8791 45.5930
+S   35.9737 24.7806 45.6534
+S   35.9576 24.6739 45.7704
+S   35.9420 24.6379 45.8949
+S   36.0001 24.4436 45.9205
+S   35.9785 24.4094 46.0005
+S   35.9987 24.4960 46.0022
+S   36.0288 24.5131 45.9792
+S   35.9714 24.4712 45.9753
+S   35.9830 24.4951 46.0761
+S   35.9628 24.5467 46.1591
+S   35.9353 24.4660 46.2460
+S   35.9039 24.4842 46.2658
+S   35.8772 24.4211 46.3462
+S   35.8550 24.3869 46.4455
+S   35.8346 24.4438 46.5540
+S   35.8208 24.4219 46.6218
+S   35.8409 24.4106 46.7257
+S   35.8182 24.3966 46.7957
+S   35.7879 24.4133 46.8473
+S   35.6654 24.3972 46.8174
+S   35.5754 24.4221 46.8327
+S   35.4548 24.4698 46.8089
+S   35.4352 24.5170 46.6968
+S   35.4407 24.5300 46.6095
+S   35.4502 24.4647 46.5939
+S   35.4358 24.3613 46.6930
+S   35.4142 24.4229 46.6820
+S   35.3466 24.5278 46.6492
+S   35.2830 24.5172 46.6212
+S   35.2138 24.4595 46.6162
+S   35.1544 24.4902 46.6007
+S   35.0900 24.4614 46.5327
+S   35.0337 24.4430 46.4347
+S   34.9023 24.5288 46.3858
+S   34.7072 24.6688 46.4328
+S   34.5409 24.7071 46.4762
+S   34.4200 24.6879 46.3531
+S   34.3360 24.7001 46.2707
+S   34.2721 24.7220 46.1609
+S   34.1416 24.6451 46.1196
+S   34.0305 24.7118 46.1492
+S   33.9960 24.8018 46.1563
+S   33.9799 24.8932 46.2574
+S   34.0198 25.0565 46.3668
+S   34.0530 25.0547 46.3602
+S   34.0138 24.9835 46.2983
+S   34.0147 24.9766 46.2680
+S   33.9671 24.9923 46.2778
+S   33.9125 25.0783 46.2755
+S   33.8697 25.0098 46.2604
+S   33.8860 24.9791 46.3229
+S   33.8184 25.0233 46.3132
+S   33.7681 25.1202 46.2989
+S   33.6833 25.1051 46.2739
+S   33.5658 25.1106 46.2827
+S   33.4065 25.1230 46.3783
+S   33.3060 25.0141 46.3651
+S   33.2415 25.0236 46.4596
+S   33.2024 25.1227 46.5059
+S   33.1322 25.1222 46.5274
+S   33.0853 25.1114 46.4876
+S   32.9882 25.2296 46.4525
+S   32.9489 25.3993 46.3764
+S   32.8853 25.4942 46.2792
+S   32.8332 25.4292 46.2190
+S   32.7927 25.3474 46.1963
+S   32.6095 25.3448 46.2427
+S   32.5212 25.3378 46.3491
+S   32.4614 25.3218 46.3576
+S   32.3866 25.3742 46.2969
+S   32.2877 25.3613 46.1804
+S   32.2403 25.3568 46.0689
+S   32.1574 25.3844 46.0606
+S   32.0701 25.4117 45.9512
+S   32.0830 25.4696 45.8246
+S   32.1315 25.4884 45.6741
+S   32.1795 25.3888 45.4895
+S   32.0709 25.3844 45.3348
+S   31.8806 25.4737 45.1770
+S   31.7148 25.5622 45.0037
+S   31.6066 25.5607 44.8408
+S   31.5410 25.4790 44.6999
+S   31.4745 25.5335 44.6262
+S   31.4471 25.5452 44.5322
+S   31.4672 25.7130 44.4773
+S   31.4353 25.9080 44.4612
+S   31.4453 26.0331 44.4853
+S   31.4811 26.1866 44.5284
+S   31.4572 26.1907 44.5308
+S   31.4344 26.1286 44.5339
+S   31.3964 26.1208 44.5713
+S   31.3725 26.0195 44.5631
+S   31.3070 25.9464 44.4856
+S   31.2875 25.8692 44.4499
+S   31.3647 25.7652 44.3662
+S   31.5195 25.6127 44.2792
+S   31.5324 25.4476 44.2099
+S   31.5511 25.3675 44.2439
+S   31.5398 25.4253 44.2781
+S   31.6253 25.4433 44.2575
+S   31.6381 25.5419 44.2673
+S   31.7168 25.5252 44.2653
+S   31.7292 25.4895 44.3198
+S   31.6600 25.4737 44.3372
+S   31.5950 25.4208 44.3359
+S   31.6111 25.4350 44.3140
+S   31.6695 25.4625 44.2178
+S   31.6728 25.5348 44.1819
+S   31.6854 25.5763 44.1926
+S   31.7387 25.4844 44.2031
+S   31.7498 25.4424 44.2070
+S   31.7408 25.3792 44.2231
+S   31.7202 25.3952 44.2845
+S   31.7582 25.5727 44.2120
+S   31.8686 25.7385 44.0821
+S   31.8718 25.8084 44.0132
+S   31.8285 25.8529 43.9809
+S   31.8332 25.9714 43.8878
+S   31.8060 26.1118 43.8184
+S   31.7914 26.2507 43.7698
+S   31.7757 26.3338 43.8022
+S   31.7434 26.4759 43.7922
+S   31.7197 26.6755 43.7343
+S   31.6300 26.9073 43.6821
+S   31.5141 27.1100 43.6403
+S   31.4484 27.2165 43.5688
+S   31.4299 27.2711 43.5259
+S   31.2655 27.3251 43.4736
+S   31.1576 27.4866 43.4442
+S   31.0932 27.6291 43.4682
+S   31.1085 27.6365 43.5852
+S   31.0736 27.7095 43.6513
+S   31.0766 27.7427 43.6919
+S   31.0138 27.8086 43.8035
+S   30.8864 27.7929 43.9432
+S   30.8232 27.8570 44.0095
+S   30.8271 27.9610 44.1456
+S   30.7460 27.9085 44.2035
+S   30.7325 27.8354 44.3222
+S   30.6712 27.7654 44.3548
+S   30.5484 27.7137 44.3686
+S   30.3840 27.7046 44.4705
+S   30.3077 27.7253 44.5983
+S   30.3015 27.7682 44.6816
+S   30.2597 27.7923 44.7481
+S   30.1381 27.8338 44.6941
+S   29.9697 27.8331 44.6136
+S   29.8417 27.7302 44.5883
+S   29.8425 27.6713 44.5514
+S   29.8568 27.6477 44.3569
+S   29.9108 27.6664 44.2456
+S   29.9484 27.7650 44.2488
+S   29.8616 27.8417 44.3224
+S   29.7162 27.8921 44.4214
+S   29.6422 27.9680 44.3914
+S   29.7046 28.0134 44.4138
+S   29.7806 27.9878 44.4059
+S   29.7608 28.0116 44.4092
+S   29.6342 27.9329 44.3947
+S   29.4663 27.8594 44.3422
+S   29.3695 27.8032 44.2579
+S   29.2531 27.7736 44.3049
+S   29.1767 27.7426 44.4060
+S   29.1709 27.7149 44.4112
+S   29.1443 27.6596 44.4643
+S   29.0837 27.5788 44.4757
+S   29.0747 27.4915 44.5425
+S   29.1341 27.4354 44.6088
+S   29.1611 27.4575 44.5896
+S   29.1462 27.5740 44.6292
+S   29.0536 27.6445 44.7800
+S   28.9231 27.6872 44.7599
+S   28.8253 27.6498 44.7654
+S   28.7666 27.5648 44.7554
+S   28.7832 27.5556 44.6477
+S   28.6938 27.4741 44.5782
+S   28.6537 27.4605 44.4564
+S   28.6505 27.4783 44.4733
+S   28.5842 27.4591 44.4669
+S   28.4166 27.3939 44.4166
+S   28.2680 27.3550 44.3620
+S   28.1739 27.3142 44.4722
+S   28.1671 27.3088 44.5539
+S   28.1947 27.2266 44.6526
+S   28.2218 27.2388 44.6431
+S   28.2909 27.3010 44.6254
+S   28.3860 27.2374 44.5455
+S   28.4698 27.1045 44.4214
+S   28.5554 26.9356 44.3065
+S   28.6811 26.7679 44.2623
+S   28.7599 26.6607 44.2478
+S   28.8277 26.5033 44.2791
+S   28.8653 26.3116 44.3579
+S   29.0165 26.2260 44.4375
+S   29.2113 26.3566 44.4677
+S   29.4176 26.4025 44.4384
+S   29.6019 26.3386 44.4736
+S   29.7212 26.3502 44.6055
+S   29.8403 26.2098 44.6607
+S   29.8292 26.1680 44.6837
+S   29.6807 26.1114 44.6933
+S   29.5047 26.0355 44.6851
+S   29.3947 25.9582 44.6680
+S   29.4332 25.8636 44.7327
+S   29.4775 25.6948 44.9047
+S   29.4869 25.5661 44.9973
+S   29.5020 25.4450 44.9683
+S   29.5963 25.3322 45.0787
+S   29.6598 25.3547 45.2380
+S   29.7654 25.3734 45.3983
+S   29.7608 25.3678 45.5570
+S   29.7855 25.3886 45.6585
+S   29.7415 25.3244 45.7103
+S   29.8143 25.3932 45.7027
+S   29.9111 25.3772 45.7033
+S   29.9485 25.3589 45.6624
+S   29.8977 25.3774 45.5718
+S   29.8198 25.3552 45.4977
+S   29.7821 25.3981 45.4556
+S   29.7744 25.3163 45.3788
+S   29.7507 25.3462 45.2589
+S   29.7550 25.4134 45.2522
+S   29.7165 25.3827 45.3508
+S   29.7564 25.3303 45.4870
+S   29.8028 25.3565 45.4730
+S   29.8881 25.4685 45.4947
+S   30.0271 25.6336 45.4833
+S   30.0033 25.6433 45.4860
+S   29.8465 25.5869 45.3683
+S   29.7237 25.5423 45.3265
+S   29.6240 25.4200 45.3909
+S   29.5279 25.3383 45.5637
+S   29.5621 25.3409 45.6785
+S   29.5257 25.4098 45.7517
+S   29.4174 25.4434 45.7916
+S   29.2898 25.4361 45.7703
+S   29.2683 25.3673 45.7069
+S   29.2262 25.3114 45.7558
+S   29.1892 25.4839 45.9172
+S   29.0285 25.6201 45.8811
+S   28.8558 25.6954 45.9457
+S   28.6505 25.6152 46.0509
+S   28.5188 25.6901 46.0532
+S   28.4466 25.8012 46.2250
+S   28.3195 25.8020 46.3574
+S   28.2292 25.7437 46.4721
+S   28.2752 25.7910 46.3902
+S   28.3433 25.9116 46.4137
+S   28.3542 25.9692 46.4149
+S   28.3145 25.9239 46.5000
+S   28.2612 25.9353 46.6403
+S   28.2562 25.8698 46.6955
+S   28.2206 25.8259 46.6551
+S   28.1521 25.7242 46.5908
+S   28.0992 25.6817 46.5158
+S   27.9891 25.6777 46.4397
+S   27.9454 25.7103 46.4029
+S   27.9966 25.7705 46.4116
+S   28.0356 25.8983 46.4769
+S   28.0350 25.9716 46.4364
+S   27.9818 25.9753 46.3924
+S   27.8928 25.9476 46.3284
+S   27.7026 25.8777 46.2895
+S   27.5795 25.8571 46.2546
+S   27.5090 25.8347 46.2592
+S   27.3748 25.7436 46.2822
+S   27.2598 25.6708 46.2687
+S   27.3384 25.7488 46.2981
+S   27.3489 25.7617 46.2564
+S   27.2364 25.8050 46.2580

1lf5_ligand_GppNHp_197_dock1/MCpath20.xyz

@@ -0,0 +1,171 @@
+169
+169
+S   35.1676 35.2769 38.9448
+S   35.0900 35.2022 38.9703
+S   35.0722 35.2126 38.9932
+S   35.0472 35.2940 38.9973
+S   34.9412 35.3358 38.9488
+S   34.8986 35.3307 38.9283
+S   34.8699 35.2624 38.8518
+S   34.8433 35.1719 38.7657
+S   34.8712 35.2551 38.7136
+S   34.8972 35.2750 38.7791
+S   34.9291 35.3058 38.8675
+S   34.9926 35.2880 38.9079
+S   35.0485 35.1861 38.8916
+S   34.9998 35.1839 38.8584
+S   34.9493 35.2824 38.8566
+S   35.0032 35.3967 38.9141
+S   34.9463 35.4002 38.9728
+S   34.7715 35.3718 38.9183
+S   34.5748 35.4122 38.9210
+S   34.4708 35.4264 38.9499
+S   34.4470 35.4603 38.9500
+S   34.4414 35.5214 38.9020
+S   34.4128 35.5038 38.7910
+S   34.4025 35.5411 38.7335
+S   34.4576 35.5980 38.7063
+S   34.5671 35.5405 38.6465
+S   34.6957 35.4915 38.6371
+S   34.6107 35.5015 38.6036
+S   34.5167 35.4992 38.6118
+S   34.4890 35.3857 38.5955
+S   34.5361 35.3074 38.5177
+S   34.5010 35.3239 38.4916
+S   34.4690 35.3809 38.4165
+S   34.4263 35.4304 38.3960
+S   34.4394 35.4995 38.4905
+S   34.5262 35.6941 38.4866
+S   34.6135 35.7196 38.4964
+S   34.7624 35.7132 38.5156
+S   34.8442 35.6981 38.5214
+S   34.8165 35.6521 38.5756
+S   34.7482 35.5503 38.6107
+S   34.7124 35.3912 38.5456
+S   34.7514 35.2814 38.4635
+S   34.7171 35.3416 38.4595
+S   34.6508 35.4323 38.5440
+S   34.5601 35.4953 38.5731
+S   34.4977 35.5380 38.6654
+S   34.5157 35.6259 38.6621
+S   34.5998 35.7050 38.7088
+S   34.6071 35.7403 38.7817
+S   34.6526 35.7587 38.7144
+S   34.6979 35.7015 38.7175
+S   34.6598 35.7232 38.6306
+S   34.5476 35.6574 38.5588
+S   34.4974 35.7450 38.4507
+S   34.4649 35.8059 38.4699
+S   34.4523 35.8771 38.4851
+S   34.5715 35.9007 38.3545
+S   34.5046 35.8858 38.3471
+S   34.4839 35.9098 38.3792
+S   34.5276 35.8680 38.3717
+S   34.5423 35.8114 38.3509
+S   34.4496 35.6946 38.4360
+S   34.4245 35.6736 38.5069
+S   34.4554 35.6743 38.4484
+S   34.4494 35.6372 38.4663
+S   34.4369 35.5941 38.5922
+S   34.4533 35.5392 38.6745
+S   34.4959 35.5047 38.6638
+S   34.6072 35.4251 38.5725
+S   34.6280 35.4677 38.4851
+S   34.6846 35.4974 38.4437
+S   34.7523 35.4262 38.4586
+S   34.7530 35.3268 38.4804
+S   34.7037 35.2644 38.5056
+S   34.5670 35.1817 38.5683
+S   34.4223 35.1854 38.6334
+S   34.4708 35.2484 38.5858
+S   34.5166 35.3860 38.5121
+S   34.6042 35.4422 38.5808
+S   34.7331 35.4985 38.5993
+S   34.7189 35.5769 38.5128
+S   34.7543 35.5682 38.4963
+S   34.6959 35.5956 38.4904
+S   34.6032 35.5970 38.5201
+S   34.5525 35.4861 38.4473
+S   34.4279 35.3778 38.3824
+S   34.4214 35.2766 38.4011
+S   34.3570 35.3958 38.4163
+S   34.3646 35.4404 38.4687
+S   34.3765 35.4677 38.4846
+S   34.3156 35.3815 38.4265
+S   34.3795 35.2575 38.4163
+S   34.4319 35.2143 38.3417
+S   34.4586 35.2479 38.2964
+S   34.4577 35.2525 38.2091
+S   34.4846 35.2515 38.1356
+S   34.4634 35.2243 37.8524
+S   34.4623 35.2886 37.4596
+S   34.4868 35.3841 37.0014
+S   34.6281 35.3597 36.7443
+S   34.7886 35.3347 36.6616
+S   34.8797 35.3088 36.6911
+S   34.8669 35.2109 36.7317
+S   34.9777 35.1779 36.7588
+S   35.0055 35.0659 36.8977
+S   35.0548 34.8728 36.9783
+S   35.0714 34.6372 37.0869
+S   35.0564 34.3629 37.0749
+S   35.0892 34.1604 37.1339
+S   35.1767 34.0375 37.1694
+S   35.2821 33.9398 37.2345
+S   35.4401 33.8752 37.3053
+S   35.5274 33.8517 37.4599
+S   35.5653 33.8077 37.5394
+S   35.6448 33.7611 37.4744
+S   35.6795 33.7029 37.5279
+S   35.6972 33.6073 37.5413
+S   35.6518 33.5174 37.5311
+S   35.5628 33.4613 37.4768
+S   35.5121 33.3937 37.4607
+S   35.5365 33.3113 37.4432
+S   35.5804 33.2800 37.5652
+S   35.6824 33.2105 37.6424
+S   35.6955 33.1598 37.7799
+S   35.7594 33.0985 37.8777
+S   35.7693 32.9963 37.8878
+S   35.6822 32.8032 37.8836
+S   35.5864 32.6632 37.7523
+S   35.5207 32.6527 37.6836
+S   35.4905 32.7112 37.5988
+S   35.4952 32.7616 37.5864
+S   35.4112 32.7370 37.5642
+S   35.3320 32.7256 37.5639
+S   35.2851 32.7518 37.5718
+S   35.2571 32.7370 37.6560
+S   35.3394 32.7071 37.7489
+S   35.3817 32.6774 37.8047
+S   35.4745 32.6071 37.7803
+S   35.5954 32.5550 37.7689
+S   35.6980 32.4857 37.7652
+S   35.8067 32.4199 37.7814
+S   35.8220 32.4140 37.9417
+S   35.7802 32.4033 37.9837
+S   35.7005 32.2936 37.9096
+S   35.6533 32.2319 37.7222
+S   35.6015 32.2239 37.6810
+S   35.4999 32.1904 37.6174
+S   35.5075 32.1647 37.5934
+S   35.5883 32.1152 37.5035
+S   35.6513 32.1632 37.4940
+S   35.7542 32.1764 37.4647
+S   35.8673 32.0328 37.5069
+S   35.8477 31.9025 37.5066
+S   35.7888 31.8020 37.4591
+S   35.8000 31.6468 37.4561
+S   35.8599 31.5707 37.4622
+S   35.8718 31.5650 37.5367
+S   35.8139 31.5699 37.6013
+S   35.7241 31.6305 37.6386
+S   35.6264 31.6751 37.6032
+S   35.5576 31.6437 37.5637
+S   35.4143 31.6524 37.5453
+S   35.3099 31.6238 37.5459
+S   35.2865 31.5648 37.5509
+S   35.2563 31.5300 37.5735
+S   35.2124 31.4886 37.5885
+S   35.2037 31.3941 37.6274
+S   35.1217 31.2428 37.6236

1lf5_ligand_GppNHp_197_dock1/MCpath21.xyz

@@ -0,0 +1,184 @@
+182
+182
+S   35.1126 35.3342 39.1827
+S   35.0331 35.2802 39.1100
+S   34.9652 35.2485 39.0308
+S   34.9464 35.2615 38.9628
+S   34.9425 35.2849 38.8716
+S   34.9237 35.3647 38.8505
+S   34.8928 35.4260 38.9204
+S   34.9310 35.4519 38.9640
+S   35.0665 35.3903 38.9600
+S   35.1210 35.3159 38.8956
+S   35.1039 35.2797 38.8676
+S   35.0510 35.2568 38.9177
+S   35.0602 35.2061 38.9030
+S   35.0139 35.1938 38.9608
+S   34.9365 35.2348 39.0000
+S   34.8734 35.3102 39.0165
+S   34.7787 35.3836 38.9511
+S   34.6556 35.4215 38.8730
+S   34.5909 35.3989 38.7444
+S   34.5594 35.3684 38.7279
+S   34.5434 35.4262 38.6450
+S   34.5372 35.4714 38.6448
+S   34.4990 35.5255 38.6299
+S   34.4871 35.6123 38.6458
+S   34.4004 35.6631 38.6402
+S   34.4428 35.6487 38.6211
+S   34.3890 35.6350 38.5618
+S   34.3409 35.6638 38.5997
+S   34.3865 35.7374 38.7495
+S   34.4240 35.7252 38.7506
+S   34.4102 35.6721 38.7262
+S   34.5005 35.7056 38.6227
+S   34.5376 35.7127 38.6810
+S   34.5298 35.7069 38.6744
+S   34.5895 35.7464 38.7224
+S   34.6741 35.7812 38.8243
+S   34.7696 35.7714 38.7449
+S   34.8218 35.7117 38.7139
+S   34.8149 35.5920 38.7584
+S   34.6726 35.5344 38.6242
+S   34.5386 35.5206 38.5278
+S   34.4346 35.4765 38.3868
+S   34.4782 35.4604 38.3232
+S   34.4956 35.3444 38.2805
+S   34.4462 35.3479 38.3851
+S   34.4170 35.4184 38.4068
+S   34.4569 35.3386 38.3414
+S   34.4450 35.1902 38.2757
+S   34.3407 35.1275 38.2532
+S   34.2845 34.8563 38.2718
+S   34.2446 34.4866 38.3168
+S   34.1772 34.1471 38.3716
+S   34.1942 33.8555 38.4553
+S   34.1869 33.7660 38.5014
+S   34.2881 33.6747 38.5436
+S   34.3209 33.5712 38.5700
+S   34.2550 33.5199 38.5520
+S   34.1887 33.4769 38.5219
+S   34.2140 33.3729 38.5253
+S   34.1701 33.2667 38.4587
+S   34.0820 33.1810 38.4801
+S   34.0400 33.1694 38.4323
+S   34.0667 33.1487 38.4138
+S   33.9952 33.1442 38.4707
+S   33.9762 33.2415 38.4725
+S   33.8711 33.2558 38.4741
+S   33.6401 33.3239 38.6127
+S   33.4169 33.3644 38.7204
+S   33.3270 33.2575 38.8816
+S   33.1635 33.1744 38.9260
+S   33.0595 33.0656 39.0125
+S   33.0917 32.9467 39.0934
+S   33.1377 32.8341 39.1555
+S   33.2426 32.8095 39.2083
+S   33.3799 32.7545 39.2934
+S   33.5000 32.7010 39.3592
+S   33.4961 32.7055 39.3432
+S   33.4656 32.6465 39.3770
+S   33.4071 32.6577 39.4523
+S   33.3630 32.7081 39.5954
+S   33.4701 32.6827 39.6491
+S   33.5415 32.6372 39.6996
+S   33.5006 32.5894 39.6571
+S   33.3135 32.5358 39.6599
+S   33.2257 32.5478 39.7249
+S   33.2077 32.5848 39.7575
+S   33.1481 32.5189 39.7717
+S   32.9710 32.4224 39.8551
+S   32.8631 32.4572 39.8741
+S   32.7197 32.4495 39.9567
+S   32.6382 32.4749 39.9547
+S   32.5340 32.4411 39.9186
+S   32.5260 32.3502 40.0000
+S   32.3289 32.3747 40.0949
+S   32.2722 32.3900 40.2497
+S   32.2186 32.5370 40.4555
+S   32.2448 32.5497 40.6527
+S   32.2141 32.5546 40.8403
+S   32.1854 32.5250 40.8544
+S   32.1678 32.5871 40.7152
+S   32.2256 32.6712 40.6653
+S   32.2570 32.7165 40.7139
+S   32.3299 32.6647 40.8734
+S   32.2013 32.5611 40.9951
+S   32.0820 32.5002 41.0814
+S   32.0339 32.4326 41.1746
+S   32.0943 32.3275 41.2708
+S   32.0918 32.2740 41.2687
+S   32.0542 32.3583 41.2075
+S   31.9913 32.4032 41.1416
+S   31.9313 32.4862 41.1474
+S   31.9169 32.5165 41.1668
+S   31.9236 32.5465 41.1743
+S   31.9143 32.6172 41.1642
+S   31.8924 32.6808 41.1551
+S   31.8925 32.7221 41.1916
+S   31.9027 32.6548 41.1998
+S   31.8340 32.6380 41.1928
+S   31.8032 32.5729 41.2844
+S   31.8307 32.4998 41.4452
+S   31.8436 32.4668 41.4981
+S   31.8371 32.4585 41.5294
+S   31.8554 32.4275 41.6415
+S   31.8906 32.4034 41.7651
+S   31.7953 32.3579 41.7534
+S   31.7122 32.3069 41.7653
+S   31.6598 32.2154 41.7963
+S   31.5865 31.9489 41.7910
+S   31.4399 31.6583 41.8276
+S   31.3289 31.4266 41.7871
+S   31.2615 31.2382 41.7031
+S   31.3594 31.1590 41.6595
+S   31.5396 31.0566 41.5541
+S   31.6566 31.0101 41.4425
+S   31.7608 31.0054 41.3073
+S   31.8354 30.9689 41.1614
+S   31.9024 30.9157 41.0125
+S   31.9802 30.9638 40.9034
+S   32.0745 30.9951 40.8154
+S   32.2441 31.0047 40.7117
+S   32.4003 30.9494 40.6288
+S   32.5364 30.9485 40.4521
+S   32.6925 30.9757 40.3632
+S   32.7332 30.9498 40.2557
+S   32.8043 30.8699 40.1882
+S   32.9022 30.7350 40.1457
+S   32.9679 30.6206 40.1328
+S   32.9962 30.4412 40.1329
+S   32.9696 30.2414 40.2652
+S   33.0267 30.1694 40.4207
+S   33.0490 30.1935 40.5221
+S   33.0544 30.2800 40.5993
+S   33.0074 30.2830 40.6317
+S   32.9806 30.2514 40.6419
+S   32.9697 30.2750 40.6849
+S   32.9580 30.2231 40.7223
+S   32.9235 30.1575 40.6657
+S   32.9803 30.0644 40.6914
+S   33.0315 29.8816 40.6656
+S   32.9365 29.7407 40.6158
+S   32.9470 29.5402 40.5723
+S   32.9785 29.3615 40.5482
+S   32.8433 29.2494 40.5618
+S   32.8043 29.1994 40.6311
+S   32.7246 29.2354 40.7092
+S   32.6248 29.2267 40.7039
+S   32.6314 29.1619 40.6761
+S   32.6373 29.1407 40.6279
+S   32.6501 29.1674 40.6440
+S   32.7136 29.0936 40.6674
+S   32.8502 29.0413 40.6985
+S   32.8177 28.9352 40.7837
+S   32.8502 28.7455 40.8150
+S   32.8705 28.6172 40.8852
+S   32.8323 28.5979 41.0057
+S   32.8141 28.5857 41.0180
+S   32.7900 28.5326 40.9138
+S   32.7692 28.5367 40.8235
+S   32.8293 28.5040 40.7095
+S   32.7914 28.4430 40.6477
+S   32.7256 28.3558 40.5685
+S   32.6329 28.1911 40.5489

1lf5_ligand_GppNHp_197_dock1/MCpath22.xyz

@@ -0,0 +1,150 @@
+148
+148
+S   35.1817 35.2653 39.0266
+S   35.1448 35.3140 39.0198
+S   35.2290 35.3507 39.0100
+S   35.2386 35.3848 38.9281
+S   35.2317 35.3577 38.9451
+S   35.2172 35.3608 38.9182
+S   35.2866 35.4007 38.9578
+S   35.3455 35.3873 38.8707
+S   35.3203 35.3463 38.7980
+S   35.3228 35.2444 38.8894
+S   35.3744 35.2993 38.8736
+S   35.2377 35.4276 38.8483
+S   35.1459 35.3856 38.8244
+S   35.1138 35.3720 38.7858
+S   35.0309 35.4744 38.7331
+S   34.9945 35.5058 38.6783
+S   34.9545 35.5584 38.6905
+S   34.8886 35.5527 38.7371
+S   34.8925 35.4408 38.7173
+S   34.8480 35.2969 38.6820
+S   34.7655 35.2020 38.6137
+S   34.6987 35.1555 38.6836
+S   34.6631 35.1368 38.7544
+S   34.6054 35.0128 38.7278
+S   34.5515 34.8605 38.6145
+S   34.4998 34.7172 38.5429
+S   34.4286 34.6240 38.4149
+S   34.5121 34.5512 38.4731
+S   34.6774 34.4416 38.5618
+S   34.6750 34.5193 38.6316
+S   34.6159 34.5568 38.6203
+S   34.5751 34.5323 38.5511
+S   34.5061 34.5204 38.5222
+S   34.4331 34.5089 38.4735
+S   34.3286 34.5799 38.4370
+S   34.3019 34.5753 38.5109
+S   34.2455 34.5360 38.5824
+S   34.2435 34.5199 38.6467
+S   34.2741 34.4624 38.6497
+S   34.3167 34.3611 38.7187
+S   34.3527 34.3345 38.8406
+S   34.2872 34.3830 38.8516
+S   34.2781 34.3363 38.7717
+S   34.2732 34.3522 38.7736
+S   34.3856 34.3400 38.7225
+S   34.5040 34.3956 38.7899
+S   34.5707 34.3951 38.7672
+S   34.6584 34.2959 38.6421
+S   34.6687 34.2538 38.6330
+S   34.6689 34.0958 38.6683
+S   34.5762 33.9012 38.6826
+S   34.5152 33.7093 38.7401
+S   34.4002 33.5661 38.7586
+S   34.3314 33.4993 38.7761
+S   34.2519 33.4640 38.7513
+S   34.2670 33.4097 38.7404
+S   34.3621 33.3256 38.7598
+S   34.4181 33.2078 38.7712
+S   34.3857 33.1664 38.7858
+S   34.3726 33.2008 38.8056
+S   34.3689 33.2474 38.7702
+S   34.4367 33.2359 38.7979
+S   34.5107 33.2034 38.8004
+S   34.5968 33.2011 38.7892
+S   34.6381 33.1625 38.7166
+S   34.6820 33.1165 38.6263
+S   34.7127 32.9704 38.5361
+S   34.7883 32.7672 38.5491
+S   34.8553 32.5984 38.5651
+S   34.9475 32.4475 38.5082
+S   34.9428 32.3157 38.4507
+S   34.9886 32.2182 38.3452
+S   35.0382 32.1249 38.1797
+S   35.0705 32.2004 38.0232
+S   35.0681 32.3190 37.9393
+S   35.1099 32.4266 37.7703
+S   35.2411 32.5432 37.6125
+S   35.3848 32.7018 37.5425
+S   35.4981 32.8448 37.5432
+S   35.5621 32.8794 37.4857
+S   35.6248 33.0230 37.4976
+S   35.7563 33.0994 37.5478
+S   35.8769 33.1440 37.5411
+S   35.9900 33.0873 37.4959
+S   36.0498 33.0754 37.3937
+S   36.0657 33.1106 37.2993
+S   36.0014 33.1535 37.2647
+S   35.9432 33.1256 37.2235
+S   35.9137 33.1495 37.2952
+S   35.9541 33.1606 37.3742
+S   36.0667 33.1054 37.4496
+S   36.0511 32.9512 37.5356
+S   35.8928 32.8355 37.5050
+S   35.6809 32.7705 37.5277
+S   35.7596 32.7194 37.5877
+S   35.9065 32.6823 37.6251
+S   35.9219 32.5994 37.5606
+S   35.8351 32.5703 37.5945
+S   35.7513 32.6048 37.6311
+S   35.7796 32.6096 37.7345
+S   35.8404 32.6151 37.7725
+S   35.8342 32.6346 37.7794
+S   35.7721 32.6924 37.7714
+S   35.7568 32.7088 37.7388
+S   35.7050 32.6813 37.7170
+S   35.6923 32.7411 37.6460
+S   35.8389 32.6827 37.5974
+S   35.8340 32.5848 37.5690
+S   35.8355 32.5443 37.5204
+S   35.8014 32.4250 37.4406
+S   35.8417 32.3888 37.3534
+S   35.7719 32.3867 37.3156
+S   35.6971 32.2898 37.2589
+S   35.6891 32.1655 37.2653
+S   35.6744 31.9785 37.2892
+S   35.6674 31.7375 37.2671
+S   35.7289 31.5104 37.2930
+S   35.7419 31.2017 37.3640
+S   35.7578 31.0339 37.4331
+S   35.7705 31.1275 37.4920
+S   35.6763 31.1405 37.5568
+S   35.5634 31.1466 37.6582
+S   35.5017 31.1511 37.6486
+S   35.4572 31.2153 37.6567
+S   35.4577 31.2728 37.6895
+S   35.4683 31.2240 37.6104
+S   35.4304 31.2047 37.5635
+S   35.3867 31.1637 37.5666
+S   35.3861 31.1800 37.5910
+S   35.3556 31.1465 37.6339
+S   35.4413 31.0951 37.6849
+S   35.4958 30.9980 37.7244
+S   35.5733 30.8260 37.6826
+S   35.6293 30.7047 37.5910
+S   35.6544 30.5652 37.6130
+S   35.6441 30.4361 37.5823
+S   35.5928 30.2775 37.6493
+S   35.5186 30.1675 37.6865
+S   35.4597 30.1259 37.6648
+S   35.3660 30.0347 37.6826
+S   35.2713 29.9313 37.6228
+S   35.2684 29.8182 37.6769
+S   35.2330 29.7421 37.7600
+S   35.2101 29.6324 37.7828
+S   35.1866 29.5262 37.7216
+S   35.1757 29.4461 37.6243
+S   35.1633 29.3095 37.5680
+S   35.2081 29.1608 37.6308

1lf5_ligand_GppNHp_197_dock1/MCpath23.xyz

@@ -0,0 +1,151 @@
+149
+149
+S   34.9885 35.1636 38.9492
+S   34.9583 35.1707 38.9543
+S   34.8942 35.1757 38.9870
+S   34.8619 35.1402 39.0021
+S   34.8476 35.0846 38.9757
+S   34.8623 35.1510 38.9405
+S   34.9465 35.1741 38.8634
+S   35.0354 35.0997 38.8065
+S   35.0821 35.1194 38.8797
+S   35.0806 35.1284 38.9448
+S   35.0934 34.9455 38.9817
+S   35.0129 34.8611 39.0029
+S   34.9252 34.8026 39.0139
+S   34.9679 34.7544 39.0053
+S   35.0233 34.6870 38.9440
+S   35.0705 34.6703 38.8657
+S   35.0056 34.6768 38.7819
+S   34.9254 34.5751 38.6818
+S   34.7912 34.4642 38.6379
+S   34.6718 34.3661 38.7145
+S   34.6230 34.3765 38.7664
+S   34.6296 34.4266 38.7406
+S   34.6032 34.4021 38.7138
+S   34.6116 34.3711 38.6194
+S   34.6141 34.3897 38.5914
+S   34.6708 34.4269 38.5785
+S   34.7374 34.5111 38.6154
+S   34.7989 34.5625 38.5713
+S   34.8346 34.4890 38.4889
+S   34.8404 34.4294 38.4103
+S   34.8404 34.4331 38.4645
+S   34.7542 34.4398 38.4896
+S   34.6735 34.4247 38.5475
+S   34.6347 34.5331 38.6327
+S   34.5762 34.4882 38.7459
+S   34.4261 34.4269 38.7479
+S   34.3332 34.4437 38.7405
+S   34.3080 34.4587 38.7599
+S   34.2549 34.5303 38.7228
+S   34.1507 34.6748 38.6076
+S   33.9501 34.7341 38.5561
+S   33.7098 34.7244 38.6991
+S   33.5690 34.8187 38.8231
+S   33.5442 34.8939 38.9186
+S   33.4468 34.9511 39.0325
+S   33.3694 34.9253 38.9970
+S   33.3249 34.8035 38.9448
+S   33.2752 34.6755 38.8574
+S   33.2873 34.6213 38.8637
+S   33.2199 34.5638 38.9482
+S   33.0989 34.5634 38.9560
+S   33.0838 34.5864 39.1032
+S   33.1386 34.5933 39.1975
+S   33.1437 34.6072 39.2805
+S   33.1389 34.6106 39.3851
+S   33.1702 34.5718 39.5527
+S   33.1886 34.4424 39.7810
+S   33.1444 34.3855 39.8970
+S   33.0572 34.3409 39.9437
+S   32.9939 34.3596 39.9944
+S   32.8843 34.3046 40.0266
+S   32.7591 34.1956 39.9669
+S   32.6401 34.1456 39.9541
+S   32.6139 33.9889 39.9564
+S   32.6759 33.7706 39.9746
+S   32.6388 33.5707 39.8745
+S   32.5972 33.4528 39.8395
+S   32.5823 33.4132 39.9553
+S   32.6439 33.3574 39.9333
+S   32.6557 33.2487 39.8714
+S   32.6790 33.3206 39.9057
+S   32.7388 33.2899 39.9765
+S   32.7168 33.3132 39.9490
+S   32.5987 33.3748 39.8966
+S   32.5797 33.2834 39.8514
+S   32.6452 33.2461 39.8108
+S   32.6899 33.1740 39.7519
+S   32.6774 33.1498 39.6972
+S   32.7616 33.1359 39.6233
+S   32.8164 33.1278 39.6121
+S   32.8608 33.1171 39.6004
+S   32.8731 33.0224 39.5845
+S   32.8297 32.8429 39.5828
+S   32.8081 32.6842 39.5683
+S   32.8029 32.4875 39.5356
+S   32.8040 32.2847 39.5957
+S   32.8322 32.2080 39.5309
+S   32.9703 32.1846 39.5836
+S   33.1265 32.1505 39.6225
+S   33.2259 32.0340 39.5771
+S   33.2886 31.9883 39.5529
+S   33.3048 31.9025 39.4358
+S   33.3614 31.7641 39.3975
+S   33.4633 31.7150 39.3509
+S   33.6119 31.7746 39.3517
+S   33.7197 31.7554 39.3471
+S   33.7181 31.6512 39.2699
+S   33.7619 31.6199 39.2591
+S   33.8312 31.5438 39.2025
+S   33.8526 31.4932 39.1484
+S   33.9867 31.3628 39.1500
+S   34.0111 31.2362 39.2462
+S   34.0223 31.1179 39.3497
+S   34.0612 31.0118 39.4446
+S   34.0878 30.9086 39.5436
+S   34.0730 30.9152 39.5157
+S   33.9919 30.8922 39.5295
+S   33.9497 30.8158 39.5014
+S   33.9469 30.7407 39.4513
+S   33.8948 30.6364 39.3667
+S   33.7650 30.5578 39.3886
+S   33.7200 30.5227 39.4767
+S   33.6702 30.4998 39.5154
+S   33.5854 30.5375 39.5135
+S   33.6146 30.5329 39.5334
+S   33.5824 30.4719 39.5154
+S   33.5537 30.4404 39.5660
+S   33.4974 30.3779 39.6186
+S   33.3303 30.4148 39.6392
+S   33.2643 30.4659 39.6112
+S   33.2502 30.4497 39.6430
+S   33.2362 30.3968 39.7105
+S   33.2364 30.3796 39.8022
+S   33.2495 30.3772 39.9032
+S   33.0982 30.3491 39.8926
+S   32.9408 30.3713 39.9304
+S   32.7303 30.4193 39.9495
+S   32.5870 30.4603 39.7433
+S   32.4697 30.5901 39.5648
+S   32.4533 30.6062 39.4923
+S   32.4475 30.6504 39.4079
+S   32.3479 30.6985 39.4136
+S   32.3588 30.6737 39.3594
+S   32.2836 30.7067 39.3619
+S   32.2827 30.7151 39.2802
+S   32.3045 30.7434 39.3058
+S   32.2775 30.7863 39.4035
+S   32.1255 30.8445 39.5067
+S   31.9738 30.9255 39.5503
+S   31.9524 30.8900 39.6209
+S   31.9746 30.8452 39.6280
+S   31.9525 30.6822 39.6009
+S   31.9508 30.6241 39.6290
+S   31.8691 30.5720 39.6931
+S   31.7750 30.5765 39.7229
+S   31.6539 30.6335 39.7391
+S   31.4995 30.7504 39.6781
+S   31.3168 30.7909 39.7003
+S   31.1917 30.7903 39.7631

1lf5_ligand_GppNHp_197_dock1/MCpath24.xyz

@@ -0,0 +1,335 @@
+333
+333
+S   35.1212 35.2684 38.9786
+S   35.0800 35.1737 38.9113
+S   35.0490 35.1303 38.9093
+S   35.0375 35.1023 38.9246
+S   35.0272 35.1771 38.9406
+S   34.9800 35.1911 38.9142
+S   34.9392 35.2624 38.8841
+S   34.9521 35.3876 38.8377
+S   34.9488 35.4270 38.8548
+S   34.9485 35.4028 38.8729
+S   34.8401 35.4086 38.8369
+S   34.8082 35.4639 38.8705
+S   34.7928 35.4870 38.8894
+S   34.7847 35.4553 38.8551
+S   34.7778 35.4338 38.8567
+S   34.7542 35.4188 38.8157
+S   34.8167 35.4501 38.7533
+S   34.8647 35.5151 38.7803
+S   34.8527 35.5612 38.8407
+S   34.8923 35.5777 38.8268
+S   34.8899 35.5075 38.6738
+S   34.9175 35.4974 38.5231
+S   34.9556 35.6073 38.5079
+S   34.9757 35.6903 38.4726
+S   34.9169 35.6865 38.4331
+S   34.8462 35.6848 38.3634
+S   34.8169 35.6396 38.4441
+S   34.6962 35.6557 38.5153
+S   34.6455 35.7133 38.5696
+S   34.6634 35.7060 38.5038
+S   34.5781 35.6252 38.4844
+S   34.4168 35.5154 38.5377
+S   34.3422 35.4619 38.5446
+S   34.3219 35.4111 38.5781
+S   34.3235 35.4652 38.6168
+S   34.4127 35.4568 38.5884
+S   34.5172 35.4385 38.5855
+S   34.5838 35.3705 38.5513
+S   34.5759 35.4248 38.4610
+S   34.6095 35.4458 38.4340
+S   34.6529 35.4861 38.4352
+S   34.6840 35.4758 38.4252
+S   34.6424 35.4834 38.4381
+S   34.5910 35.4554 38.4438
+S   34.5869 35.4814 38.4048
+S   34.4934 35.5008 38.3932
+S   34.3169 35.4954 38.3669
+S   34.2711 35.4804 38.3053
+S   34.2642 35.5533 38.3406
+S   34.3428 35.6192 38.3923
+S   34.3785 35.5848 38.4919
+S   34.4191 35.5162 38.4784
+S   34.4115 35.5268 38.5106
+S   34.5754 35.5641 38.6488
+S   34.6750 35.5627 38.6223
+S   34.6979 35.5395 38.5420
+S   34.6441 35.4826 38.3852
+S   34.5250 35.4711 38.2653
+S   34.4180 35.4292 38.3105
+S   34.4104 35.3821 38.3889
+S   34.4194 35.3651 38.4291
+S   34.4022 35.2848 38.5065
+S   34.4620 35.2674 38.5944
+S   34.4787 35.2214 38.5856
+S   34.3841 35.1956 38.5105
+S   34.3943 35.1670 38.4479
+S   34.4502 34.8601 38.4261
+S   34.3964 34.3402 38.4502
+S   34.2367 33.8209 38.4888
+S   34.1205 33.4910 38.5414
+S   34.0537 33.3711 38.5572
+S   33.9892 33.2562 38.5556
+S   33.9233 33.1442 38.6548
+S   33.6868 33.2035 38.7473
+S   33.6082 33.3027 38.7771
+S   33.5878 33.3140 38.7984
+S   33.5999 33.2890 38.8716
+S   33.6072 33.3527 38.8810
+S   33.5983 33.4165 38.8711
+S   33.5253 33.5110 38.9808
+S   33.5173 33.5366 38.9310
+S   33.5141 33.5229 38.8625
+S   33.4123 33.4633 38.8588
+S   33.3932 33.5358 38.7532
+S   33.4025 33.6373 38.7004
+S   33.4954 33.6238 38.5916
+S   33.5204 33.5784 38.6104
+S   33.4824 33.5676 38.5662
+S   33.4593 33.5865 38.5527
+S   33.4346 33.6033 38.5984
+S   33.4177 33.5541 38.6241
+S   33.3845 33.4642 38.5287
+S   33.4778 33.3549 38.5275
+S   33.5506 33.2352 38.5115
+S   33.6503 33.1291 38.5947
+S   33.7332 33.1073 38.6733
+S   33.7350 33.0555 38.6163
+S   33.6821 32.9955 38.6585
+S   33.7210 32.9349 38.6519
+S   33.6527 32.7999 38.6840
+S   33.6326 32.7532 38.7282
+S   33.6955 32.6582 38.6932
+S   33.7579 32.5636 38.5945
+S   33.7615 32.4042 38.5853
+S   33.7245 32.2974 38.5447
+S   33.7249 32.1847 38.5788
+S   33.7174 32.0000 38.6052
+S   33.6977 31.8714 38.6679
+S   33.6158 31.7083 38.7211
+S   33.4977 31.5770 38.6519
+S   33.4842 31.5714 38.5984
+S   33.5000 31.5203 38.6056
+S   33.4434 31.5293 38.6621
+S   33.4312 31.4846 38.7002
+S   33.4838 31.3922 38.6988
+S   33.4356 31.2130 38.6426
+S   33.4256 31.1497 38.5759
+S   33.4762 31.1892 38.5061
+S   33.5680 31.2314 38.5451
+S   33.5712 31.2467 38.6963
+S   33.5275 31.1838 38.8141
+S   33.5217 31.0833 38.8657
+S   33.5911 31.0159 38.7900
+S   33.6005 30.9425 38.7108
+S   33.5222 30.9218 38.6645
+S   33.5025 30.8818 38.7324
+S   33.4573 30.8761 38.8637
+S   33.4248 30.8774 39.0284
+S   33.3827 30.8027 39.1684
+S   33.3604 30.7824 39.4382
+S   33.2894 30.6976 39.6824
+S   33.2859 30.6777 39.7983
+S   33.3876 30.7205 39.9483
+S   33.4715 30.7061 40.0530
+S   33.4302 30.7297 40.1566
+S   33.4225 30.7999 40.2227
+S   33.4210 30.9090 40.3290
+S   33.4528 31.0764 40.4344
+S   33.5012 31.2431 40.5263
+S   33.5064 31.4180 40.6683
+S   33.5729 31.5363 40.8153
+S   33.5506 31.6382 40.9091
+S   33.4629 31.7021 40.9101
+S   33.4378 31.7612 40.8934
+S   33.3095 31.8169 40.8150
+S   33.1869 31.8834 40.7950
+S   33.2143 32.0338 40.8101
+S   33.2752 32.1987 40.8961
+S   33.3009 32.3039 40.9853
+S   33.2909 32.3997 41.0880
+S   33.2694 32.5072 41.1477
+S   33.2178 32.5234 41.2614
+S   33.2052 32.5786 41.3383
+S   33.1690 32.6970 41.4118
+S   33.0202 32.9049 41.5691
+S   32.8793 32.9896 41.6068
+S   32.6333 33.0003 41.6283
+S   32.5582 33.0208 41.7012
+S   32.4531 32.8927 41.7532
+S   32.3768 32.7204 41.7484
+S   32.3638 32.6774 41.6881
+S   32.3835 32.7630 41.6410
+S   32.3322 32.7473 41.5195
+S   32.2603 32.7321 41.4609
+S   32.1898 32.7210 41.4613
+S   32.1598 32.7442 41.5368
+S   32.0869 32.8638 41.6002
+S   32.0323 32.8923 41.5814
+S   31.9953 32.8484 41.5586
+S   31.8789 32.8028 41.4796
+S   31.7669 32.7584 41.3696
+S   31.6381 32.7314 41.3024
+S   31.5510 32.7504 41.2636
+S   31.4679 32.6090 41.3131
+S   31.4206 32.5903 41.3789
+S   31.4153 32.6052 41.4625
+S   31.4133 32.5581 41.4628
+S   31.3869 32.4930 41.4484
+S   31.3793 32.4530 41.4834
+S   31.3459 32.4096 41.5478
+S   31.3500 32.3309 41.5939
+S   31.3991 32.2618 41.5435
+S   31.3945 32.3285 41.4130
+S   31.3341 32.4072 41.3691
+S   31.3717 32.4539 41.3809
+S   31.3332 32.5155 41.3745
+S   31.3657 32.6235 41.3994
+S   31.3289 32.7190 41.3999
+S   31.2653 32.6987 41.3657
+S   31.2788 32.5612 41.4629
+S   31.2206 32.3962 41.5650
+S   31.0974 32.4399 41.6373
+S   30.9680 32.5228 41.7157
+S   30.8797 32.6373 41.7741
+S   30.6797 32.6444 41.7307
+S   30.5738 32.6128 41.7662
+S   30.4627 32.5817 41.7626
+S   30.2400 32.5594 41.7447
+S   30.1638 32.5473 41.7076
+S   30.1591 32.6633 41.6506
+S   30.1407 32.7124 41.5935
+S   30.1673 32.6852 41.4766
+S   30.1677 32.6324 41.4338
+S   30.1314 32.7040 41.3888
+S   30.2212 32.8060 41.3876
+S   30.2698 32.8363 41.4344
+S   30.3355 32.8565 41.4728
+S   30.3150 32.8576 41.5829
+S   30.2414 33.0102 41.6452
+S   30.2201 33.0513 41.7571
+S   30.1056 32.9379 41.9133
+S   29.9555 32.8248 42.0174
+S   29.8613 32.8435 41.9956
+S   29.8168 32.8120 41.9650
+S   29.8960 32.8009 42.0573
+S   29.9643 32.8405 42.2729
+S   29.9531 32.8691 42.4359
+S   29.9385 32.8314 42.5941
+S   29.9334 32.7244 42.6615
+S   29.8966 32.5776 42.7747
+S   29.8474 32.5984 42.7591
+S   29.7492 32.6088 42.7607
+S   29.6967 32.5292 42.8793
+S   29.7040 32.3883 43.0065
+S   29.6771 32.3038 43.0322
+S   29.6897 32.2593 43.1767
+S   29.6852 32.2776 43.2674
+S   29.6642 32.3278 43.3866
+S   29.7201 32.2933 43.4667
+S   29.7743 32.3050 43.5911
+S   29.7844 32.3117 43.6977
+S   29.7521 32.2935 43.7351
+S   29.7148 32.3726 43.7312
+S   29.8288 32.4478 43.5902
+S   29.8909 32.5127 43.5209
+S   29.9452 32.5862 43.4135
+S   29.9672 32.7003 43.3678
+S   29.9896 32.7169 43.2963
+S   29.9528 32.7555 43.2854
+S   29.8996 32.7542 43.2811
+S   29.8626 32.7490 43.3099
+S   29.7738 32.8573 43.3523
+S   29.7021 32.8866 43.4314
+S   29.6242 32.8659 43.5649
+S   29.5809 32.8730 43.6441
+S   29.4766 32.9012 43.7002
+S   29.4303 32.8898 43.7426
+S   29.4157 32.8997 43.8275
+S   29.3836 32.8329 43.8588
+S   29.3487 32.8193 43.9726
+S   29.3317 32.7521 44.0655
+S   29.4364 32.6131 44.1362
+S   29.4228 32.4513 44.3005
+S   29.3506 32.3182 44.4304
+S   29.3203 32.3064 44.6330
+S   29.1973 32.3104 44.7719
+S   29.1227 32.3038 44.8192
+S   29.0467 32.2676 44.7786
+S   29.0237 32.1840 44.7135
+S   28.9874 32.0952 44.6164
+S   28.9552 32.0689 44.4616
+S   28.9916 31.9027 44.3998
+S   28.9870 31.8749 44.3868
+S   28.8643 31.7606 44.3779
+S   28.8198 31.5696 44.4035
+S   28.8260 31.3354 44.4621
+S   28.8481 31.1655 44.4495
+S   28.9513 31.0712 44.3958
+S   28.9413 31.1161 44.3105
+S   28.8856 31.1095 44.1715
+S   28.8876 31.1098 44.1218
+S   28.9164 31.0297 44.1009
+S   28.9155 31.0675 44.0832
+S   28.9253 31.0841 44.1390
+S   28.9778 31.0699 44.2001
+S   29.0832 31.0644 44.2411
+S   29.0578 31.0108 44.3023
+S   28.9856 31.0059 44.3227
+S   28.8393 31.0032 44.3131
+S   28.7371 30.9215 44.3117
+S   28.7143 30.7762 44.2529
+S   28.7133 30.6452 44.1972
+S   28.7050 30.5307 44.1889
+S   28.7549 30.3795 44.2113
+S   28.8338 30.2487 44.2284
+S   28.8441 30.1254 44.2151
+S   28.8548 30.0009 44.1590
+S   28.9226 29.8890 44.1195
+S   28.9148 29.8081 44.1403
+S   28.8117 29.6804 44.1608
+S   28.7251 29.4999 44.1655
+S   28.6533 29.3393 44.1452
+S   28.5995 29.2555 44.1043
+S   28.6340 29.3284 44.1237
+S   28.7019 29.4151 44.1230
+S   28.5549 29.4136 44.1521
+S   28.4731 29.2443 44.1752
+S   28.4436 29.0953 44.2158
+S   28.4414 29.0168 44.1227
+S   28.4781 28.9341 44.0465
+S   28.5756 28.9145 44.0258
+S   28.5845 28.9262 44.0683
+S   28.5124 28.9428 44.1844
+S   28.3984 28.9815 44.2200
+S   28.3260 29.0257 44.2381
+S   28.3742 29.0390 44.2873
+S   28.4490 28.9196 44.3528
+S   28.4472 28.6813 44.3875
+S   28.5179 28.4584 44.4510
+S   28.6073 28.3389 44.5848
+S   28.7061 28.2407 44.7300
+S   28.7290 28.1327 44.7939
+S   28.7043 28.1108 44.7846
+S   28.7107 28.0222 44.7411
+S   28.7096 27.9458 44.7179
+S   28.7230 27.8342 44.7694
+S   28.7196 27.7140 44.7413
+S   28.7006 27.5445 44.7156
+S   28.7254 27.3452 44.6875
+S   28.6969 27.2558 44.6049
+S   28.7558 27.2322 44.4917
+S   28.7992 27.2890 44.4462
+S   28.8192 27.2777 44.5319
+S   28.8364 27.2720 44.4651
+S   28.8523 27.2795 44.4251
+S   28.8466 27.2568 44.3574
+S   28.8316 27.2628 44.3470
+S   28.7590 27.2269 44.3191
+S   28.7960 27.1066 44.3198
+S   28.8884 26.9923 44.3396
+S   28.8640 26.8180 44.2284
+S   28.7680 26.5912 44.0230
+S   28.7003 26.3544 43.8932

1lf5_ligand_GppNHp_197_dock1/MCpath25.xyz

@@ -0,0 +1,245 @@
+243
+243
+S   35.0915 35.0935 38.7804
+S   35.0660 35.0229 38.7141
+S   35.0193 35.0602 38.6429
+S   35.0171 35.0427 38.6370
+S   35.0589 35.0300 38.6637
+S   35.0324 35.0755 38.7042
+S   34.9899 35.0545 38.7061
+S   34.9954 35.0025 38.6716
+S   34.9553 35.0391 38.6672
+S   34.8725 35.1056 38.8647
+S   34.8354 35.0308 38.9424
+S   34.8280 34.9202 38.9601
+S   34.8396 34.8931 38.9511
+S   34.8374 34.9172 38.9027
+S   34.8332 34.9333 38.8836
+S   34.8289 35.0155 38.7664
+S   34.7005 34.9875 38.7163
+S   34.6565 34.9498 38.6290
+S   34.7010 34.9779 38.6609
+S   34.7746 34.9620 38.7586
+S   34.8585 34.8953 38.8268
+S   34.7464 34.8675 38.8423
+S   34.6619 34.7908 38.7622
+S   34.6694 34.6742 38.6673
+S   34.7450 34.6703 38.6290
+S   34.8287 34.6354 38.5889
+S   34.9246 34.5276 38.6761
+S   34.9418 34.4388 38.7028
+S   34.9198 34.4622 38.6984
+S   34.9431 34.4408 38.6899
+S   34.9238 34.4097 38.6330
+S   34.8925 34.4234 38.6235
+S   34.8970 34.4510 38.7092
+S   34.7679 34.4669 38.7702
+S   34.6988 34.5019 38.7990
+S   34.7144 34.4142 38.8740
+S   34.7254 34.4053 38.9243
+S   34.7445 34.3935 38.9038
+S   34.6435 34.4467 38.8268
+S   34.4311 34.4777 38.8291
+S   34.2503 34.4411 38.8037
+S   34.1333 34.4443 38.7823
+S   34.0072 34.4495 38.8335
+S   33.9723 34.4709 38.9088
+S   33.8666 34.6098 38.9343
+S   33.7568 34.7180 38.9638
+S   33.6662 34.7426 38.9871
+S   33.5237 34.6976 39.0485
+S   33.3511 34.6541 39.0417
+S   33.2578 34.6560 39.0499
+S   33.2341 34.6065 39.0274
+S   33.2138 34.5854 38.9603
+S   33.1447 34.5661 38.8538
+S   33.1642 34.5774 38.9343
+S   33.2095 34.5635 39.0162
+S   33.1690 34.4966 38.9589
+S   33.0958 34.4213 38.9196
+S   32.9647 34.3232 38.9906
+S   32.9167 34.2923 39.0350
+S   32.9403 34.1624 39.0585
+S   32.9262 34.1263 39.0244
+S   32.9812 34.1075 38.9737
+S   33.0852 34.0466 38.9786
+S   33.1100 34.0169 39.0520
+S   33.0874 33.9843 38.9793
+S   33.1163 33.9228 38.9534
+S   33.1581 33.8931 39.0172
+S   33.2008 33.7415 39.1618
+S   33.2737 33.4337 39.3546
+S   33.2349 33.0845 39.5662
+S   33.2017 32.9068 39.7099
+S   33.2121 32.7311 39.8099
+S   33.1914 32.6309 39.8662
+S   33.1569 32.5419 39.8691
+S   33.0267 32.5167 39.9090
+S   32.9194 32.5431 39.9058
+S   32.8682 32.6380 39.8744
+S   32.8191 32.6654 39.8501
+S   32.7769 32.5967 39.8331
+S   32.7453 32.6160 39.8059
+S   32.6896 32.5533 39.7835
+S   32.5735 32.4232 39.7301
+S   32.4409 32.3524 39.6762
+S   32.4337 32.3178 39.6527
+S   32.4764 32.2738 39.6317
+S   32.5521 32.1876 39.6405
+S   32.6001 32.1163 39.6049
+S   32.6557 32.0427 39.5221
+S   32.6400 31.9396 39.4924
+S   32.6324 31.8201 39.4032
+S   32.7019 31.7209 39.3704
+S   32.6543 31.5909 39.3530
+S   32.6050 31.5008 39.3962
+S   32.5306 31.4238 39.4939
+S   32.4886 31.2257 39.5224
+S   32.3589 31.1184 39.6087
+S   32.2853 31.1778 39.6508
+S   32.3018 31.2139 39.6138
+S   32.4181 31.2292 39.5560
+S   32.5655 31.2500 39.5375
+S   32.6219 31.2241 39.5244
+S   32.6448 31.1122 39.6072
+S   32.7138 30.9517 39.7535
+S   32.6915 30.8942 39.9156
+S   32.7339 30.7796 39.9294
+S   32.7727 30.7183 40.0346
+S   32.6879 30.6687 40.1377
+S   32.6341 30.6242 40.1747
+S   32.6454 30.6062 40.2920
+S   32.6112 30.5802 40.4149
+S   32.6747 30.6577 40.5757
+S   32.7206 30.6603 40.7052
+S   32.6975 30.5715 40.8521
+S   32.5571 30.4857 40.9648
+S   32.4897 30.3937 41.0409
+S   32.4122 30.3090 41.0774
+S   32.3114 30.2927 41.1959
+S   32.2973 30.3295 41.3263
+S   32.3368 30.3536 41.4644
+S   32.4773 30.4650 41.4675
+S   32.5703 30.5352 41.5062
+S   32.6627 30.6721 41.5722
+S   32.6480 30.8845 41.6088
+S   32.6315 30.9799 41.6743
+S   32.5017 30.9864 41.6620
+S   32.4433 30.8870 41.6344
+S   32.4466 30.8512 41.6206
+S   32.3867 30.8405 41.6174
+S   32.3622 30.8900 41.6261
+S   32.3034 30.8955 41.7536
+S   32.2306 30.7805 41.8301
+S   32.2131 30.7799 41.8992
+S   32.1266 30.8385 41.9135
+S   31.9818 30.9796 41.8671
+S   31.8837 31.0544 41.9356
+S   31.8017 31.0803 41.9184
+S   31.7075 31.0700 41.8605
+S   31.5261 31.0613 41.8691
+S   31.4588 31.0108 41.8689
+S   31.2947 30.9538 41.8399
+S   31.1292 30.8904 41.7103
+S   31.0506 30.7375 41.6224
+S   31.0168 30.5733 41.5151
+S   31.0370 30.5904 41.5193
+S   31.0219 30.6200 41.5119
+S   30.9616 30.6666 41.5183
+S   30.9475 30.6820 41.4690
+S   30.8863 30.5851 41.3747
+S   30.7685 30.5183 41.3211
+S   30.6751 30.4945 41.3959
+S   30.6990 30.4911 41.3554
+S   30.7140 30.5289 41.2844
+S   30.6519 30.6269 41.1867
+S   30.6293 30.6770 41.2080
+S   30.5539 30.7049 41.2135
+S   30.5323 30.7147 41.2466
+S   30.5022 30.7461 41.2076
+S   30.4464 30.7524 41.1981
+S   30.3274 30.6525 41.2191
+S   30.2269 30.6027 41.2467
+S   30.1287 30.6467 41.2780
+S   30.0955 30.6547 41.2920
+S   30.0633 30.5524 41.2961
+S   30.0987 30.5224 41.2751
+S   30.1013 30.4392 41.3397
+S   30.1945 30.3819 41.3922
+S   30.3614 30.3999 41.5322
+S   30.2986 30.3984 41.6570
+S   30.3137 30.4064 41.6797
+S   30.3629 30.3568 41.6733
+S   30.2948 30.4286 41.6490
+S   30.2453 30.5445 41.6358
+S   30.1855 30.6357 41.6403
+S   30.0767 30.6789 41.6718
+S   30.0460 30.7271 41.7596
+S   30.0322 30.7076 41.6536
+S   29.9792 30.7002 41.5698
+S   29.9629 30.6346 41.5471
+S   29.8418 30.6091 41.5472
+S   29.7991 30.5896 41.4863
+S   29.6851 30.5088 41.4549
+S   29.5656 30.3965 41.4677
+S   29.4873 30.3425 41.5144
+S   29.4301 30.3786 41.5168
+S   29.2858 30.4368 41.5354
+S   29.1410 30.4713 41.5420
+S   29.2244 30.4471 41.5395
+S   29.3085 30.4541 41.5366
+S   29.3243 30.4320 41.5778
+S   29.2131 30.4278 41.5608
+S   29.1855 30.4753 41.4718
+S   29.1035 30.5578 41.4402
+S   29.0231 30.6343 41.4719
+S   29.0088 30.6621 41.5213
+S   29.0231 30.6482 41.5795
+S   28.9432 30.6468 41.5477
+S   28.7595 30.6578 41.5108
+S   28.7021 30.6777 41.5266
+S   28.5964 30.7283 41.5902
+S   28.4811 30.7694 41.5824
+S   28.3586 30.8266 41.5040
+S   28.2667 30.8573 41.4996
+S   28.2746 30.9885 41.4400
+S   28.2442 31.1201 41.3145
+S   28.2650 31.1803 41.2616
+S   28.2864 31.1315 41.2774
+S   28.2487 31.0684 41.3199
+S   28.0425 30.9954 41.4808
+S   27.9577 30.9382 41.6719
+S   27.8974 30.9106 41.8296
+S   27.7634 30.8021 41.9015
+S   27.6370 30.8848 41.9149
+S   27.4770 30.9290 41.8743
+S   27.3850 30.9135 41.8362
+S   27.3605 30.9401 41.7684
+S   27.2729 30.9498 41.6836
+S   27.1762 30.9095 41.7026
+S   27.1236 30.9110 41.8337
+S   27.2019 30.9073 41.9075
+S   27.1377 30.9576 41.8623
+S   27.0387 30.9030 41.7982
+S   27.0672 30.9270 41.7926
+S   27.0791 30.9605 41.7822
+S   27.1451 30.9075 41.8837
+S   27.1275 30.7659 41.9373
+S   27.0989 30.7729 41.8809
+S   27.1350 30.7710 41.8642
+S   27.1886 30.6993 41.8971
+S   27.2096 30.6842 41.9749
+S   27.1862 30.7137 41.9573
+S   27.1923 30.7021 41.9083
+S   27.1846 30.6235 41.8400
+S   27.1503 30.5564 41.7525
+S   27.0621 30.4535 41.5223
+S   27.0030 30.3751 41.4241
+S   26.9103 30.2364 41.3988
+S   26.9669 30.0704 41.4315
+S   27.0873 29.9007 41.4945
+S   27.1565 29.7745 41.4927
+S   27.2240 29.5587 41.4134
+S   27.2719 29.4908 41.3409
+S   27.3781 29.4029 41.3622
+S   27.4506 29.2138 41.4022

1lf5_ligand_GppNHp_197_dock1/MCpath26.xyz

@@ -0,0 +1,129 @@
+127
+127
+S   35.1445 35.0494 38.8867
+S   35.1135 35.0131 38.8923
+S   35.1125 34.9940 38.9334
+S   35.1412 34.9278 38.9385
+S   35.1521 34.9317 38.8884
+S   35.0844 34.9737 38.8821
+S   35.0317 34.9832 38.9033
+S   35.0659 34.9560 38.9350
+S   35.1125 34.9787 38.9211
+S   35.1866 35.0372 38.8023
+S   35.3227 35.0609 38.7146
+S   35.3771 35.0145 38.6801
+S   35.4342 34.9479 38.7298
+S   35.5262 34.8518 38.7557
+S   35.4955 34.8261 38.8823
+S   35.4533 34.8198 38.8885
+S   35.4911 34.8844 38.9157
+S   35.5003 34.8666 38.8987
+S   35.5483 34.8633 38.8922
+S   35.5998 34.9838 38.9190
+S   35.6785 35.0108 38.8100
+S   35.6236 35.0420 38.5676
+S   35.5096 35.0600 38.4821
+S   35.4015 35.0332 38.4771
+S   35.4140 34.9427 38.4568
+S   35.4755 34.8969 38.5235
+S   35.4622 34.8044 38.5701
+S   35.4995 34.7158 38.5093
+S   35.5864 34.6250 38.5519
+S   35.5958 34.5178 38.4820
+S   35.5039 34.4571 38.4041
+S   35.4679 34.3855 38.3737
+S   35.4312 34.4162 38.3214
+S   35.4627 34.5036 38.3183
+S   35.5112 34.5023 38.4216
+S   35.5685 34.4574 38.4337
+S   35.6057 34.4693 38.3718
+S   35.5642 34.5453 38.3786
+S   35.4958 34.6098 38.3299
+S   35.4640 34.6735 38.2956
+S   35.4428 34.7993 38.3090
+S   35.4757 34.7615 38.3059
+S   35.5442 34.7090 38.3097
+S   35.5542 34.6604 38.3377
+S   35.5389 34.4973 38.4580
+S   35.5599 34.3129 38.5112
+S   35.5577 34.2464 38.4478
+S   35.5580 34.0757 38.4941
+S   35.5822 33.8239 38.4959
+S   35.6250 33.6391 38.4989
+S   35.6547 33.4358 38.4693
+S   35.7126 33.2240 38.4335
+S   35.7040 33.1442 38.3968
+S   35.6936 33.0352 38.4489
+S   35.7395 32.9059 38.5152
+S   35.7152 32.8044 38.4774
+S   35.5899 32.8143 38.4683
+S   35.5203 32.8235 38.4472
+S   35.5252 32.8314 38.3951
+S   35.5244 32.8477 38.3265
+S   35.5704 32.8850 38.3388
+S   35.5791 32.9016 38.3434
+S   35.5071 33.0223 38.3349
+S   35.4121 33.0183 38.3356
+S   35.3898 32.9152 38.3225
+S   35.2770 32.7151 38.3650
+S   35.2683 32.5848 38.4475
+S   35.2908 32.5554 38.4841
+S   35.3122 32.5163 38.5159
+S   35.3032 32.4574 38.5034
+S   35.3169 32.3968 38.5504
+S   35.3445 32.3839 38.5419
+S   35.3879 32.2474 38.5518
+S   35.4227 32.1233 38.5722
+S   35.4662 32.0708 38.6297
+S   35.5405 32.0605 38.6093
+S   35.5601 32.1503 38.5231
+S   35.5764 32.2036 38.3959
+S   35.6264 32.1289 38.2416
+S   35.6777 31.9521 38.1305
+S   35.7064 31.8760 38.0822
+S   35.6295 31.8067 37.9285
+S   35.5901 31.7197 37.7969
+S   35.5916 31.6722 37.6457
+S   35.6413 31.5776 37.4948
+S   35.6911 31.4658 37.2970
+S   35.7901 31.4086 37.1244
+S   35.8967 31.4325 36.9716
+S   35.9964 31.5248 36.8353
+S   36.1099 31.6547 36.7933
+S   36.1714 31.6982 36.9086
+S   36.2209 31.7221 37.1116
+S   36.2202 31.7008 37.1689
+S   36.1992 31.6409 37.1985
+S   36.2207 31.5475 37.2136
+S   36.2933 31.4569 37.2276
+S   36.5033 31.3554 37.2817
+S   36.6617 31.3034 37.3586
+S   36.7362 31.3212 37.3860
+S   36.7635 31.2989 37.4400
+S   36.7403 31.1958 37.5266
+S   36.7246 30.9900 37.6260
+S   36.6159 30.8847 37.7210
+S   36.5413 30.8238 37.7672
+S   36.3619 30.8396 37.6761
+S   36.2740 30.8419 37.6973
+S   36.2670 30.7387 37.8683
+S   36.2398 30.6576 37.8974
+S   36.1740 30.5921 37.9267
+S   36.1636 30.5737 37.9687
+S   36.2406 30.4921 37.9632
+S   36.3172 30.4434 37.9932
+S   36.3042 30.4008 37.8966
+S   36.3014 30.3814 37.8136
+S   36.3062 30.2874 37.7546
+S   36.3101 30.2047 37.7506
+S   36.2355 30.1277 37.7673
+S   36.2124 30.0081 37.7549
+S   36.2755 29.8757 37.6855
+S   36.2889 29.6907 37.6071
+S   36.2998 29.5846 37.5165
+S   36.2847 29.3974 37.4500
+S   36.2940 29.1270 37.3769
+S   36.3892 28.9305 37.2544
+S   36.5266 28.7429 37.2150
+S   36.6603 28.6785 37.1730
+S   36.7422 28.5818 37.0675

1lf5_ligand_GppNHp_197_dock1/MCpath27.xyz

@@ -0,0 +1,103 @@
+101
+101
+S   34.9637 35.0672 38.9844
+S   35.0571 35.0911 39.0144
+S   35.0606 35.1128 39.0626
+S   35.0895 35.1059 39.0615
+S   35.1506 35.1288 39.0723
+S   35.0848 35.2062 39.0573
+S   35.0361 35.2123 39.0682
+S   34.9293 35.2383 39.0753
+S   34.8450 35.2510 39.0000
+S   34.7604 35.4069 38.9938
+S   34.8474 35.4775 39.0342
+S   34.9430 35.5357 39.0542
+S   34.9728 35.5051 39.1322
+S   34.9656 35.5447 39.1737
+S   34.9333 35.5668 39.1906
+S   34.8847 35.5088 39.2067
+S   34.8471 35.4381 39.1750
+S   34.8286 35.3751 39.1158
+S   34.8456 35.3499 39.1208
+S   34.8244 35.3978 39.2062
+S   34.8647 35.4259 39.2749
+S   34.9077 35.4163 39.3062
+S   34.8473 35.3744 39.3083
+S   34.8119 35.4328 39.3265
+S   34.7026 35.4984 39.5050
+S   34.6488 35.6296 39.6605
+S   34.6646 35.6708 39.6927
+S   34.7464 35.7056 39.6290
+S   34.8489 35.6457 39.6501
+S   34.8714 35.6394 39.6710
+S   34.8186 35.6142 39.7253
+S   34.7411 35.6219 39.7426
+S   34.7250 35.6816 39.7673
+S   34.8079 35.7263 39.7326
+S   34.7883 35.6961 39.6459
+S   34.6401 35.6222 39.6476
+S   34.5306 35.5758 39.6117
+S   34.4572 35.4951 39.6393
+S   34.3315 35.4495 39.6778
+S   34.2793 35.3911 39.7002
+S   34.2441 35.4236 39.6439
+S   34.1872 35.3833 39.5613
+S   34.0708 35.4060 39.4608
+S   33.9622 35.4344 39.4693
+S   33.9220 35.3984 39.5002
+S   33.8552 35.4551 39.4951
+S   33.6855 35.4611 39.4524
+S   33.5646 35.4792 39.3406
+S   33.4804 35.3899 39.2596
+S   33.3617 35.3275 39.2801
+S   33.2880 35.3125 39.2083
+S   33.2772 35.1595 39.2599
+S   33.2221 34.9512 39.3241
+S   33.1725 34.7052 39.3120
+S   33.1605 34.5194 39.3508
+S   33.1637 34.4920 39.3584
+S   33.2128 34.4615 39.2628
+S   33.2454 34.2072 39.2312
+S   33.3058 34.0880 39.3698
+S   33.4744 34.0358 39.4228
+S   33.6554 34.0521 39.4779
+S   33.8852 34.0994 39.4477
+S   34.0479 34.0973 39.4486
+S   34.1076 34.0695 39.5370
+S   34.0240 34.0558 39.5758
+S   33.9396 34.0574 39.5699
+S   33.8931 34.0898 39.5129
+S   33.8869 34.0881 39.6002
+S   33.8585 33.9729 39.5761
+S   33.8829 33.8761 39.5696
+S   33.8878 33.8312 39.6041
+S   33.8011 33.7910 39.5529
+S   33.6744 33.7822 39.5533
+S   33.6284 33.6783 39.5373
+S   33.7393 33.5719 39.5151
+S   33.7950 33.4768 39.5154
+S   33.8266 33.4167 39.5031
+S   33.8715 33.3997 39.4968
+S   33.8887 33.3553 39.4927
+S   33.8196 33.3136 39.4568
+S   33.7077 33.2871 39.4151
+S   33.7038 33.2713 39.4188
+S   33.6787 33.2184 39.3783
+S   33.5617 33.2353 39.4268
+S   33.4383 33.2089 39.4412
+S   33.3963 33.2350 39.4492
+S   33.3838 33.2639 39.5115
+S   33.3611 33.3149 39.5937
+S   33.3129 33.2994 39.6957
+S   33.2878 33.2493 39.7665
+S   33.2696 33.1803 39.6843
+S   33.2941 33.1054 39.5464
+S   33.3784 33.0434 39.4357
+S   33.5216 32.9931 39.3013
+S   33.6121 32.9485 39.1843
+S   33.7142 32.9319 39.0646
+S   33.7272 32.8625 38.8526
+S   33.7695 32.6613 38.7091
+S   33.7802 32.4020 38.5221
+S   33.8698 32.3101 38.2754
+S   33.9030 32.2612 38.1163

1lf5_ligand_GppNHp_197_dock1/MCpath28.xyz

@@ -0,0 +1,282 @@
+280
+280
+S   34.8611 35.2915 39.0346
+S   34.9628 35.3003 39.0376
+S   35.0225 35.3664 39.0235
+S   35.0683 35.4227 38.9951
+S   35.1524 35.4923 38.9670
+S   35.1644 35.4773 38.9315
+S   35.2211 35.4271 38.9555
+S   35.2072 35.4030 38.9806
+S   35.0757 35.4211 38.9810
+S   34.9263 35.3847 38.9194
+S   34.9026 35.4134 38.8914
+S   34.9396 35.4029 38.8596
+S   34.9500 35.4552 38.8647
+S   34.9518 35.5041 38.8217
+S   34.9288 35.5473 38.8078
+S   34.8282 35.4911 38.7791
+S   34.7701 35.4303 38.6853
+S   34.7738 35.5187 38.5934
+S   34.7982 35.5195 38.5569
+S   34.7945 35.4544 38.5519
+S   34.6335 35.4753 38.5987
+S   34.5298 35.5319 38.6331
+S   34.4518 35.5187 38.6330
+S   34.4782 35.4735 38.6383
+S   34.5109 35.3798 38.6049
+S   34.4749 35.2635 38.6385
+S   34.4021 35.2080 38.5914
+S   34.3871 35.3599 38.4229
+S   34.3105 35.4296 38.2712
+S   34.2741 35.4041 38.2279
+S   34.2821 35.3372 38.2505
+S   34.2533 35.3060 38.1973
+S   34.3175 35.2256 38.0552
+S   34.4165 35.1328 38.0895
+S   34.4732 35.0382 38.1693
+S   34.4906 34.8603 38.3026
+S   34.5261 34.7338 38.3745
+S   34.5134 34.6667 38.4386
+S   34.5459 34.5126 38.5105
+S   34.5159 34.2612 38.5438
+S   34.4440 33.9493 38.5952
+S   34.5658 33.7651 38.6568
+S   34.6450 33.6127 38.5946
+S   34.6014 33.5204 38.5357
+S   34.6004 33.4663 38.5131
+S   34.5365 33.4685 38.4918
+S   34.4435 33.5056 38.4847
+S   34.4115 33.4782 38.4396
+S   34.4551 33.5269 38.3039
+S   34.4064 33.5668 38.1971
+S   34.2683 33.6024 38.2981
+S   34.2204 33.6117 38.4338
+S   34.2059 33.5743 38.4823
+S   34.1454 33.4749 38.4961
+S   34.0652 33.4575 38.5450
+S   33.9535 33.4885 38.6173
+S   33.8377 33.5413 38.6433
+S   33.7252 33.6344 38.6757
+S   33.6991 33.6805 38.6965
+S   33.7252 33.7477 38.7066
+S   33.7623 33.8090 38.6650
+S   33.7782 33.8320 38.5842
+S   33.7732 33.9093 38.5808
+S   33.6420 33.9664 38.5285
+S   33.5570 33.9786 38.5061
+S   33.5467 33.8166 38.5430
+S   33.4978 33.5862 38.4368
+S   33.4776 33.4578 38.3714
+S   33.3593 33.3750 38.3286
+S   33.2343 33.3992 38.3046
+S   33.1601 33.4092 38.3048
+S   33.0958 33.5492 38.2148
+S   32.9912 33.6946 38.3034
+S   32.9844 33.7867 38.4389
+S   32.9257 33.9157 38.4823
+S   32.8839 34.0485 38.5024
+S   32.8480 33.9588 38.5257
+S   32.8192 33.9071 38.6197
+S   32.8779 33.8494 38.7697
+S   32.8709 33.9070 38.8564
+S   32.7183 34.0039 38.9156
+S   32.5706 34.0539 38.9771
+S   32.3420 34.0924 39.0145
+S   32.1694 34.0635 38.9814
+S   32.1193 34.0419 38.9692
+S   32.0970 34.1225 38.9020
+S   32.1447 34.1988 38.8208
+S   32.1355 34.2566 38.8646
+S   32.1461 34.3210 38.9114
+S   32.1478 34.4077 38.9217
+S   32.1927 34.5195 38.9173
+S   32.2012 34.7321 38.9469
+S   32.1822 34.8517 39.0274
+S   32.1497 34.8007 39.1117
+S   32.2059 34.7040 39.1586
+S   32.3035 34.6254 39.2350
+S   32.3656 34.5932 39.3828
+S   32.3638 34.5795 39.6171
+S   32.4058 34.5853 39.7785
+S   32.4298 34.5907 39.8532
+S   32.4909 34.5918 39.8665
+S   32.5083 34.7201 39.9177
+S   32.5093 34.8006 39.9245
+S   32.5184 34.7837 39.9782
+S   32.4843 34.8172 40.0859
+S   32.5605 34.7817 40.2290
+S   32.6200 34.7819 40.3984
+S   32.6491 34.7578 40.5585
+S   32.6997 34.7240 40.7070
+S   32.7320 34.6710 40.7208
+S   32.7938 34.6739 40.6983
+S   32.8020 34.7509 40.6628
+S   32.8811 34.7870 40.7031
+S   33.0214 34.7628 40.7584
+S   33.1788 34.7125 40.8096
+S   33.2913 34.5861 40.8605
+S   33.3764 34.5237 40.8463
+S   33.4742 34.5177 40.8794
+S   33.5897 34.4233 40.8626
+S   33.6757 34.4203 40.8888
+S   33.6734 34.5351 40.8880
+S   33.6475 34.5454 40.9584
+S   33.6793 34.5366 41.0285
+S   33.6314 34.5248 41.1124
+S   33.5578 34.5940 41.2105
+S   33.4792 34.6864 41.2766
+S   33.4416 34.6979 41.3268
+S   33.4608 34.6651 41.3013
+S   33.3739 34.6501 41.2999
+S   33.3659 34.7121 41.3127
+S   33.3783 34.6684 41.3830
+S   33.3417 34.5840 41.4562
+S   33.2579 34.5255 41.5212
+S   33.2024 34.5233 41.6908
+S   33.0229 34.3530 41.7697
+S   32.7540 34.3026 41.8992
+S   32.5058 34.2025 42.0308
+S   32.3629 34.1658 42.1208
+S   32.3676 34.1064 42.1907
+S   32.4485 34.0298 42.2056
+S   32.5072 33.9162 42.1634
+S   32.5711 33.7793 42.1844
+S   32.6190 33.7414 42.0941
+S   32.5258 33.7828 41.9962
+S   32.3759 33.6920 41.9268
+S   32.2472 33.5629 41.8892
+S   32.1978 33.4680 41.8428
+S   32.1756 33.2908 41.8247
+S   32.1184 33.1366 41.7888
+S   32.0506 33.1175 41.7887
+S   32.0792 33.2463 41.7100
+S   32.1195 33.3653 41.6033
+S   32.1445 33.4384 41.6283
+S   32.0646 33.5959 41.6001
+S   31.8606 33.6930 41.4789
+S   31.8017 33.7098 41.4641
+S   31.8130 33.6854 41.4342
+S   31.8011 33.7213 41.3763
+S   31.7069 33.7331 41.3045
+S   31.6199 33.6416 41.2746
+S   31.4367 33.5749 41.2682
+S   31.2842 33.4449 41.3242
+S   31.2704 33.3638 41.3466
+S   31.3531 33.3266 41.3488
+S   31.3849 33.3186 41.3066
+S   31.4259 33.2762 41.2620
+S   31.4095 33.2864 41.3137
+S   31.4367 33.2267 41.2921
+S   31.4982 33.0747 41.2699
+S   31.5796 32.8471 41.1526
+S   31.6521 32.7325 41.2122
+S   31.6542 32.5470 41.2242
+S   31.7389 32.4267 41.1023
+S   31.8394 32.3301 41.0844
+S   31.9246 32.2203 41.1472
+S   32.1115 32.1759 41.1708
+S   32.3255 32.1305 41.1599
+S   32.3608 32.0859 41.1169
+S   32.3318 32.0137 41.0913
+S   32.3938 32.0107 41.0349
+S   32.4386 31.9491 40.9767
+S   32.3786 31.9289 40.8619
+S   32.3622 31.9216 40.6828
+S   32.3205 31.9288 40.5053
+S   32.3692 32.0017 40.3956
+S   32.4630 32.0583 40.2702
+S   32.6635 32.1853 40.1427
+S   32.8057 32.2530 40.0622
+S   32.8532 32.1769 40.0050
+S   32.8151 32.1373 40.0058
+S   32.7507 32.1258 39.9070
+S   32.7557 32.0850 39.8593
+S   32.8294 32.0797 39.8451
+S   32.9380 32.0099 39.7626
+S   32.9684 31.9452 39.7272
+S   33.0349 31.8346 39.7789
+S   33.1184 31.7846 39.8817
+S   33.1424 31.7047 39.9743
+S   33.0768 31.6436 39.9507
+S   33.0963 31.6328 39.8265
+S   33.0940 31.6019 39.7351
+S   33.1256 31.5450 39.5920
+S   33.1088 31.4871 39.4355
+S   33.1142 31.4907 39.3864
+S   33.1497 31.4362 39.3561
+S   33.0589 31.4289 39.3608
+S   33.0253 31.4133 39.3902
+S   32.9936 31.3781 39.2474
+S   33.1077 31.2572 39.1491
+S   33.1884 31.1112 39.0764
+S   33.2635 31.0873 39.0873
+S   33.3692 31.0966 39.1794
+S   33.4122 31.1508 39.3716
+S   33.4346 31.0327 39.5476
+S   33.4591 30.9456 39.7306
+S   33.5552 30.8356 39.9672
+S   33.6668 30.6835 40.1524
+S   33.7030 30.5741 40.2542
+S   33.7231 30.6437 40.3527
+S   33.8207 30.6477 40.4971
+S   33.8839 30.5796 40.5223
+S   33.8974 30.5080 40.5509
+S   33.9255 30.4295 40.5718
+S   33.8956 30.3405 40.5393
+S   33.9636 30.2874 40.6157
+S   34.0182 30.1811 40.6520
+S   34.0276 30.0546 40.7400
+S   34.0379 29.9991 40.7473
+S   33.9558 29.9831 40.6538
+S   33.9185 30.0253 40.5229
+S   33.8964 30.0723 40.4489
+S   33.8205 30.0208 40.4295
+S   33.8185 29.9865 40.4333
+S   33.8298 29.9444 40.4870
+S   33.7820 29.9385 40.5705
+S   33.8112 29.8744 40.6484
+S   33.7142 29.8740 40.6350
+S   33.6261 29.8906 40.6671
+S   33.5931 29.8854 40.6429
+S   33.6171 29.8465 40.5841
+S   33.6239 29.7626 40.5671
+S   33.5812 29.7192 40.5700
+S   33.5081 29.6863 40.5323
+S   33.5032 29.6157 40.4964
+S   33.5390 29.4982 40.4752
+S   33.5010 29.4429 40.4820
+S   33.4469 29.4082 40.4526
+S   33.3891 29.3975 40.5001
+S   33.3743 29.3704 40.6307
+S   33.3622 29.4378 40.7128
+S   33.2280 29.5107 40.7420
+S   33.1877 29.5718 40.7084
+S   33.1416 29.5178 40.6128
+S   33.0210 29.4941 40.6408
+S   32.8599 29.4148 40.6033
+S   32.6059 29.4020 40.5378
+S   32.3202 29.4626 40.4689
+S   32.1291 29.4305 40.4499
+S   32.0555 29.4343 40.4661
+S   32.0781 29.5554 40.4410
+S   32.0223 29.6352 40.4206
+S   31.9902 29.7963 40.4696
+S   32.0298 29.9932 40.5484
+S   32.0900 30.0829 40.5996
+S   32.1163 30.0748 40.6025
+S   32.1470 30.1545 40.6456
+S   32.2537 30.1936 40.6600
+S   32.3848 30.1921 40.5604
+S   32.3644 30.1277 40.4784
+S   32.3468 30.0352 40.5217
+S   32.3054 30.0304 40.5351
+S   32.1605 29.9653 40.5977
+S   32.0081 29.8184 40.6831
+S   31.7803 29.6517 40.7701
+S   31.6750 29.6594 40.7920
+S   31.5447 29.7039 40.8183
+S   31.3996 29.6675 40.8335
+S   31.3546 29.6717 40.8707
+S   31.2569 29.6586 40.8827
+S   31.2028 29.6385 40.8976

1lf5_ligand_GppNHp_197_dock1/MCpath29.xyz

@@ -0,0 +1,100 @@
+98
+98
+S   35.0587 35.1641 39.0657
+S   35.1128 35.1246 39.0262
+S   35.1341 35.1087 39.0510
+S   35.1393 35.1260 39.0878
+S   35.1769 35.0554 39.1003
+S   35.1832 35.0864 39.0702
+S   35.1802 35.0376 38.9865
+S   35.1013 34.9978 38.9110
+S   35.0544 34.9518 38.8783
+S   35.0470 34.9094 38.8086
+S   34.9953 34.8362 38.7624
+S   34.8830 34.8015 38.6771
+S   34.8205 34.7954 38.6281
+S   34.8687 34.9374 38.6373
+S   34.9511 35.0134 38.6935
+S   35.0601 35.0052 38.7377
+S   35.1168 34.9582 38.7036
+S   35.0805 34.9193 38.6541
+S   35.0322 34.9634 38.6955
+S   35.0261 34.8940 38.8352
+S   34.9491 34.8958 38.8737
+S   34.8135 34.8492 38.8292
+S   34.6968 34.7488 38.8431
+S   34.6038 34.7185 38.8852
+S   34.6350 34.6459 38.8691
+S   34.5515 34.6357 38.8187
+S   34.4905 34.6103 38.7368
+S   34.4979 34.5083 38.6944
+S   34.5471 34.4489 38.6473
+S   34.5569 34.3813 38.5739
+S   34.5075 34.3452 38.3712
+S   34.4068 34.3144 38.1923
+S   34.3143 34.1524 38.0914
+S   34.3021 34.0238 38.0632
+S   34.2641 33.9843 38.1263
+S   34.3226 33.9331 38.0668
+S   34.4240 33.9678 38.0683
+S   34.4953 33.9448 38.1483
+S   34.4368 33.9796 38.1300
+S   34.4841 33.9527 38.0382
+S   34.5877 33.9062 38.0111
+S   34.6581 33.8949 38.0231
+S   34.7075 33.8912 38.0235
+S   34.7965 33.8924 37.9854
+S   34.8603 33.8676 37.9506
+S   34.8867 33.8350 37.9225
+S   34.9132 33.7852 37.8436
+S   34.8802 33.8154 37.7682
+S   34.7439 33.9408 37.7059
+S   34.6298 33.8943 37.7859
+S   34.6250 33.7843 37.7929
+S   34.6992 33.7133 37.7802
+S   34.7277 33.7442 37.7289
+S   34.7365 33.7356 37.7533
+S   34.7266 33.7079 37.8815
+S   34.7127 33.6772 37.8831
+S   34.6795 33.6506 37.8448
+S   34.6646 33.5768 37.7470
+S   34.6598 33.4704 37.6523
+S   34.5915 33.3992 37.5728
+S   34.5934 33.3707 37.6045
+S   34.5788 33.3807 37.6345
+S   34.6119 33.2674 37.5652
+S   34.5641 33.2407 37.4696
+S   34.5593 33.1635 37.4530
+S   34.6026 32.9449 37.4265
+S   34.8121 32.6888 37.3876
+S   34.9789 32.5174 37.4156
+S   34.9945 32.3767 37.4784
+S   34.8505 32.2753 37.4764
+S   34.7918 32.1651 37.5282
+S   34.8772 32.1411 37.6966
+S   34.8985 32.1062 37.8102
+S   34.9099 32.1188 37.8523
+S   34.9082 32.0967 37.9286
+S   34.8344 32.0497 37.9352
+S   34.8006 32.0372 37.9084
+S   34.7616 32.0503 37.8625
+S   34.7961 31.9978 37.8991
+S   34.8163 31.9975 37.9512
+S   34.7765 32.0362 37.9106
+S   34.8822 32.0694 37.8877
+S   34.8794 32.0436 37.8678
+S   34.8655 31.9937 37.7849
+S   34.8245 32.1309 37.7319
+S   34.8987 32.1235 37.7768
+S   34.8889 32.0990 37.7648
+S   34.7665 32.0383 37.6949
+S   34.6857 32.0524 37.7787
+S   34.5736 32.0396 37.8347
+S   34.5739 31.9036 37.7522
+S   34.5847 31.7200 37.6483
+S   34.5564 31.5384 37.6077
+S   34.5750 31.4797 37.5692
+S   34.5851 31.5212 37.5322
+S   34.5779 31.4823 37.4511
+S   34.5606 31.3780 37.3627
+S   34.5699 31.2150 37.3629

1lf5_ligand_GppNHp_197_dock1/MCpath3.xyz

@@ -0,0 +1,424 @@
+422
+422
+S   34.9316 35.3111 38.8752
+S   34.9104 35.3143 38.8138
+S   34.9067 35.2442 38.8422
+S   34.9293 35.1867 38.9517
+S   34.9552 35.1937 39.0012
+S   34.9901 35.2489 38.9439
+S   35.0748 35.3306 38.8759
+S   35.0428 35.4136 38.8080
+S   34.9555 35.4487 38.8157
+S   34.9100 35.5397 38.9052
+S   34.8442 35.5668 38.9306
+S   34.8155 35.6001 38.8840
+S   34.7807 35.6351 38.8153
+S   34.7521 35.5884 38.8103
+S   34.7077 35.5118 38.7740
+S   34.6636 35.4723 38.7422
+S   34.6369 35.4866 38.6287
+S   34.5735 35.4368 38.5726
+S   34.6320 35.3776 38.7033
+S   34.6720 35.3643 38.7651
+S   34.6873 35.3722 38.8451
+S   34.7042 35.3498 38.7679
+S   34.8012 35.4310 38.7224
+S   34.9471 35.5784 38.7082
+S   34.9755 35.6439 38.6935
+S   34.9834 35.6359 38.5984
+S   35.0671 35.5720 38.5043
+S   35.1595 35.5075 38.4923
+S   35.2693 35.5303 38.5820
+S   35.3910 35.5828 38.6161
+S   35.5956 35.5754 38.6639
+S   35.6720 35.5632 38.6790
+S   35.6835 35.4386 38.8027
+S   35.7534 35.3990 38.8799
+S   35.7565 35.4091 38.8226
+S   35.8265 35.4373 38.7885
+S   35.8191 35.5652 38.7972
+S   35.8084 35.6670 38.7448
+S   35.9143 35.8042 38.7047
+S   35.9375 35.7843 38.6443
+S   35.9055 35.6659 38.6835
+S   35.7941 35.5280 38.7061
+S   35.6937 35.4704 38.6208
+S   35.6278 35.4972 38.5633
+S   35.6281 35.5309 38.5803
+S   35.6312 35.5617 38.6170
+S   35.6316 35.5781 38.5716
+S   35.5522 35.5084 38.5422
+S   35.5502 35.4998 38.4851
+S   35.5272 35.5340 38.3869
+S   35.6290 35.5430 38.3149
+S   35.7757 35.5879 38.2817
+S   35.8862 35.5914 38.3496
+S   35.8343 35.5901 38.4482
+S   35.7397 35.5170 38.5576
+S   35.7054 35.4462 38.6123
+S   35.7233 35.4336 38.5768
+S   35.7523 35.4194 38.5836
+S   35.7091 35.4045 38.5716
+S   35.6732 35.3910 38.5400
+S   35.5872 35.3818 38.4109
+S   35.5330 35.3232 38.4346
+S   35.5319 35.4011 38.4391
+S   35.5631 35.4828 38.4385
+S   35.5312 35.5040 38.4395
+S   35.5353 35.4963 38.4446
+S   35.5903 35.5312 38.5525
+S   35.6607 35.5485 38.5570
+S   35.6816 35.5511 38.5346
+S   35.6881 35.6185 38.5156
+S   35.7288 35.6163 38.4478
+S   35.6394 35.5911 38.4627
+S   35.6538 35.5590 38.4442
+S   35.7177 35.5206 38.5442
+S   35.7087 35.5274 38.5999
+S   35.7351 35.5894 38.6002
+S   35.7419 35.5757 38.6250
+S   35.7743 35.4954 38.5882
+S   35.7035 35.4197 38.5480
+S   35.6570 35.2943 38.5140
+S   35.5045 35.3043 38.4629
+S   35.4989 35.2205 38.4802
+S   35.5732 35.2753 38.5199
+S   35.6543 35.3467 38.5152
+S   35.7958 35.4499 38.4292
+S   35.8309 35.6105 38.4293
+S   35.7996 35.7331 38.3745
+S   35.7085 35.8279 38.3570
+S   35.6383 35.8670 38.4389
+S   35.6916 35.8086 38.4708
+S   35.6822 35.7222 38.4565
+S   35.6752 35.6764 38.4210
+S   35.6425 35.6365 38.4201
+S   35.5348 35.6294 38.4021
+S   35.4021 35.5417 38.3104
+S   35.3834 35.4517 38.3436
+S   35.4556 35.4967 38.4433
+S   35.5160 35.4968 38.4759
+S   35.5287 35.4715 38.4641
+S   35.5287 35.4066 38.5150
+S   35.5454 35.3543 38.5637
+S   35.5098 35.3663 38.6184
+S   35.5141 35.2913 38.6604
+S   35.5077 35.2825 38.6959
+S   35.4982 35.3205 38.6788
+S   35.5862 35.4505 38.6201
+S   35.6317 35.5365 38.6954
+S   35.5669 35.5339 38.7461
+S   35.4171 35.4833 38.6322
+S   35.3663 35.4819 38.5087
+S   35.3235 35.4727 38.5369
+S   35.3307 35.4480 38.5385
+S   35.4056 35.4400 38.4885
+S   35.3644 35.4882 38.4892
+S   35.3278 35.5446 38.4852
+S   35.3283 35.5516 38.4014
+S   35.3529 35.6198 38.4092
+S   35.4658 35.6512 38.4171
+S   35.5315 35.6170 38.4768
+S   35.4709 35.6079 38.4206
+S   35.4674 35.5898 38.3874
+S   35.4635 35.5953 38.3572
+S   35.4092 35.5594 38.4109
+S   35.4146 35.5589 38.4239
+S   35.3754 35.5563 38.4254
+S   35.3733 35.6294 38.4478
+S   35.4204 35.6115 38.3977
+S   35.5055 35.5411 38.3820
+S   35.5689 35.4792 38.4212
+S   35.6691 35.4167 38.3758
+S   35.7112 35.6247 38.4077
+S   35.8096 35.6419 38.3774
+S   35.7133 35.6476 38.3615
+S   35.7238 35.5837 38.4190
+S   35.7568 35.5935 38.4780
+S   35.6830 35.5823 38.5065
+S   35.6568 35.5448 38.5816
+S   35.7391 35.5012 38.5638
+S   35.7110 35.4380 38.5319
+S   35.7071 35.4115 38.5141
+S   35.6302 35.5029 38.4476
+S   35.6074 35.4855 38.4146
+S   35.6018 35.4397 38.5710
+S   35.5655 35.3189 38.5957
+S   35.5514 35.2879 38.4612
+S   35.5835 35.4303 38.3850
+S   35.4735 35.4516 38.4079
+S   35.4933 35.4217 38.4109
+S   35.5811 35.3934 38.3717
+S   35.5515 35.4486 38.3513
+S   35.5187 35.4657 38.3152
+S   35.5331 35.3665 38.3745
+S   35.5837 35.4157 38.4419
+S   35.5495 35.4573 38.5253
+S   35.5685 35.4670 38.4810
+S   35.6041 35.4247 38.4549
+S   35.5718 35.4082 38.3604
+S   35.5426 35.3748 38.3241
+S   35.4943 35.4320 38.3448
+S   35.5114 35.5184 38.4238
+S   35.5071 35.5252 38.4848
+S   35.5489 35.5109 38.5923
+S   35.5518 35.5499 38.6467
+S   35.5761 35.6169 38.6005
+S   35.6535 35.7089 38.6191
+S   35.6228 35.7154 38.5409
+S   35.5320 35.6030 38.5284
+S   35.4829 35.4535 38.5282
+S   35.5103 35.3433 38.4796
+S   35.5035 35.2501 38.3287
+S   35.4031 35.1767 38.3119
+S   35.4412 34.6973 38.2669
+S   35.3903 33.6959 38.2670
+S   35.2786 32.9007 38.2571
+S   35.2397 32.4419 38.2746
+S   35.1720 32.1814 38.3432
+S   35.2046 32.1221 38.3789
+S   35.2887 32.1944 38.4122
+S   35.3376 32.4162 38.3818
+S   35.3538 32.6299 38.2683
+S   35.3130 32.8141 38.3021
+S   35.3083 33.0099 38.4132
+S   35.3691 33.1824 38.5368
+S   35.4856 33.1799 38.5120
+S   35.5432 33.1609 38.5155
+S   35.5499 33.2220 38.5790
+S   35.5385 33.2121 38.6155
+S   35.4904 33.1609 38.6735
+S   35.4269 33.2136 38.7197
+S   35.3140 33.1907 38.7912
+S   35.3030 33.1551 38.8311
+S   35.2970 33.2164 38.7559
+S   35.2923 33.2047 38.6045
+S   35.2583 33.1943 38.5983
+S   35.2577 33.2046 38.6144
+S   35.2791 33.1854 38.6451
+S   35.3310 33.1388 38.6189
+S   35.2561 33.1330 38.6461
+S   35.2170 33.1438 38.6715
+S   35.2112 33.1398 38.6265
+S   35.1926 33.0136 38.6380
+S   35.2354 33.0565 38.6360
+S   35.3224 33.0176 38.6569
+S   35.3640 32.9572 38.6480
+S   35.4709 32.8331 38.6175
+S   35.5303 32.7594 38.5606
+S   35.4297 32.7354 38.5768
+S   35.4206 32.6655 38.6421
+S   35.3970 32.5227 38.7693
+S   35.3276 32.4479 38.7652
+S   35.2853 32.4347 38.6618
+S   35.2675 32.3289 38.6547
+S   35.3553 32.2128 38.6003
+S   35.4516 32.1415 38.4736
+S   35.4429 32.0457 38.4699
+S   35.3759 31.8645 38.3685
+S   35.2275 31.5443 38.3693
+S   35.0436 31.2460 38.3752
+S   34.9186 31.0025 38.4196
+S   34.7842 30.9344 38.5332
+S   34.6868 30.9498 38.6975
+S   34.5475 30.9904 38.7974
+S   34.4593 31.1008 38.8567
+S   34.3672 31.2918 38.8639
+S   34.2362 31.4538 38.8948
+S   34.1974 31.5344 38.9052
+S   34.1807 31.5823 38.9847
+S   34.1703 31.5934 38.9112
+S   34.1051 31.6339 38.8821
+S   34.0166 31.7977 38.8608
+S   33.9455 32.0319 38.9221
+S   33.8467 32.2614 39.0406
+S   33.8141 32.4125 39.1886
+S   33.7204 32.5973 39.3849
+S   33.6555 32.6908 39.4742
+S   33.5925 32.7425 39.5689
+S   33.5879 32.7960 39.6838
+S   33.6058 32.8684 39.8017
+S   33.5762 32.9205 39.8484
+S   33.4597 32.9756 39.9039
+S   33.3642 32.9999 39.9061
+S   33.3136 32.9252 39.9560
+S   33.2900 32.8697 40.0217
+S   33.2278 32.7855 40.0475
+S   33.0779 32.6833 40.0283
+S   33.0078 32.6826 39.9047
+S   32.9457 32.7152 39.8410
+S   32.9094 32.7110 39.8180
+S   32.8339 32.7630 39.6878
+S   32.7621 32.7970 39.6213
+S   32.7916 32.8370 39.5996
+S   32.7511 32.8298 39.5202
+S   32.6855 32.7852 39.4016
+S   32.6641 32.7130 39.2576
+S   32.6531 32.6698 39.2190
+S   32.5544 32.6983 39.1805
+S   32.4211 32.7553 39.1768
+S   32.3954 32.7830 39.1354
+S   32.3739 32.7633 39.0697
+S   32.4195 32.7693 39.0320
+S   32.4513 32.8491 38.9822
+S   32.4780 32.8959 38.9829
+S   32.5637 33.0233 38.9571
+S   32.7581 33.0820 38.8709
+S   32.8540 33.0725 38.7834
+S   32.8215 33.0725 38.7393
+S   32.8591 32.9547 38.7523
+S   32.8871 32.8752 38.6969
+S   32.9059 32.8175 38.5714
+S   32.9535 32.7648 38.5419
+S   32.9174 32.8317 38.6155
+S   32.8881 32.9466 38.5703
+S   32.8946 33.0192 38.5608
+S   32.8653 33.0455 38.5539
+S   32.9329 33.0160 38.4328
+S   32.9704 32.9542 38.3545
+S   32.8825 32.9121 38.4356
+S   32.7996 32.8889 38.4285
+S   32.7737 32.8773 38.4419
+S   32.7085 32.7618 38.4712
+S   32.6386 32.6682 38.4730
+S   32.6755 32.5422 38.4528
+S   32.6381 32.4673 38.4552
+S   32.6042 32.5052 38.3960
+S   32.5931 32.5993 38.4117
+S   32.4981 32.6569 38.5307
+S   32.3975 32.5267 38.5712
+S   32.4472 32.4099 38.5161
+S   32.4393 32.3668 38.5375
+S   32.3288 32.3533 38.5720
+S   32.2438 32.4084 38.4792
+S   32.2088 32.4455 38.4768
+S   32.2224 32.4576 38.5733
+S   32.2372 32.4646 38.5975
+S   32.2005 32.4434 38.6275
+S   32.2369 32.2773 38.7070
+S   32.1102 32.2862 38.7170
+S   31.9129 32.3175 38.7707
+S   31.7717 32.3297 38.9043
+S   31.6165 32.4565 39.0819
+S   31.4661 32.5687 39.3260
+S   31.4206 32.5546 39.6816
+S   31.2704 32.6268 39.9674
+S   31.1514 32.7135 40.1626
+S   31.1535 32.7910 40.2031
+S   31.2828 32.8261 40.2245
+S   31.4502 32.8721 40.3717
+S   31.6002 32.9550 40.4716
+S   31.5934 32.9578 40.5732
+S   31.5511 32.8789 40.6294
+S   31.5674 32.8381 40.6872
+S   31.4905 32.8448 40.7402
+S   31.4760 32.8029 40.7337
+S   31.4995 32.8279 40.7300
+S   31.4989 32.7228 40.6949
+S   31.4392 32.6282 40.7640
+S   31.4073 32.4952 40.9125
+S   31.3726 32.3404 41.1222
+S   31.2844 32.2752 41.3211
+S   31.2134 32.2049 41.5261
+S   31.0599 32.1554 41.5919
+S   30.9530 32.1143 41.5608
+S   30.9056 32.1117 41.4871
+S   30.9803 32.0602 41.3672
+S   31.0627 32.0063 41.2670
+S   31.1477 31.9078 41.1927
+S   31.2265 31.8018 41.0945
+S   31.3174 31.7717 41.0344
+S   31.3938 31.6313 40.9952
+S   31.4699 31.4552 40.9159
+S   31.5304 31.2908 40.7643
+S   31.6293 31.2005 40.6376
+S   31.7128 31.0989 40.6190
+S   31.8003 31.0846 40.6076
+S   31.8987 31.1330 40.6330
+S   31.9970 31.2028 40.6662
+S   32.1170 31.2236 40.5891
+S   32.1930 31.1611 40.5904
+S   32.3541 30.9908 40.6523
+S   32.5075 30.8959 40.7221
+S   32.5559 30.8276 40.8102
+S   32.5988 30.7991 40.8404
+S   32.6095 30.7356 40.8328
+S   32.6890 30.7943 40.8522
+S   32.7452 30.7607 40.9268
+S   32.7887 30.6475 40.9776
+S   32.7637 30.5553 40.9869
+S   32.8903 30.4904 40.9804
+S   32.9333 30.4434 40.9382
+S   32.9612 30.3447 40.9069
+S   33.0354 30.2100 40.8198
+S   33.1028 30.1926 40.7194
+S   32.9875 30.2499 40.6961
+S   32.9972 30.2960 40.6201
+S   33.0522 30.3604 40.5110
+S   33.1087 30.4170 40.4257
+S   33.1472 30.3784 40.3911
+S   33.1964 30.3615 40.4185
+S   33.2961 30.4306 40.5632
+S   33.5035 30.4793 40.5912
+S   33.6378 30.5930 40.5947
+S   33.7817 30.7771 40.6312
+S   33.8007 30.9155 40.6086
+S   33.7715 30.9194 40.6060
+S   33.8129 30.9073 40.7111
+S   33.8653 30.8947 40.6836
+S   33.8932 30.8671 40.7452
+S   33.8288 30.8526 40.8528
+S   33.7762 30.8336 40.8735
+S   33.7922 30.8064 40.7613
+S   33.8507 30.7480 40.7268
+S   33.9446 30.6400 40.6948
+S   34.0236 30.5420 40.6827
+S   34.0066 30.5077 40.7034
+S   34.0199 30.3670 40.6602
+S   34.0174 30.2715 40.6349
+S   34.0436 30.1723 40.5889
+S   33.9534 30.0476 40.5003
+S   33.8129 29.9297 40.4776
+S   33.8222 29.7984 40.4580
+S   33.7799 29.6430 40.3484
+S   33.7359 29.4426 40.2639
+S   33.7837 29.0909 40.2362
+S   33.8600 28.9225 40.2172
+S   33.9028 28.7904 40.1881
+S   33.9286 28.8168 40.2325
+S   33.9425 28.9572 40.4054
+S   33.9480 29.0513 40.4884
+S   33.9367 29.0846 40.5422
+S   33.8687 29.1058 40.5881
+S   33.8227 29.0830 40.6712
+S   33.7614 29.0777 40.6859
+S   33.7463 28.9531 40.6644
+S   33.6407 28.9255 40.6695
+S   33.5427 28.9093 40.6752
+S   33.5055 28.8857 40.7564
+S   33.5300 28.8199 40.8316
+S   33.4979 28.7628 40.8563
+S   33.4402 28.7049 40.8276
+S   33.5006 28.5693 40.8664
+S   33.5677 28.4543 40.8551
+S   33.5669 28.3348 40.7580
+S   33.6171 28.2499 40.7914
+S   33.6500 28.2239 40.8789
+S   33.7040 28.2186 40.9390
+S   33.7091 28.1623 40.9058
+S   33.7044 28.1083 40.9389
+S   33.6450 28.0719 40.9264
+S   33.5677 28.0541 40.8551
+S   33.5639 28.0274 40.8395
+S   33.5529 28.0462 40.9404
+S   33.5130 28.0797 41.0542
+S   33.5531 28.1739 41.1012
+S   33.6022 28.2148 41.1860
+S   33.6044 28.1742 41.2427
+S   33.6505 28.0847 41.2418
+S   33.7601 27.9581 41.3282
+S   33.8130 27.8652 41.4623
+S   33.8759 27.7505 41.6271
+S   33.9036 27.6253 41.7754
+S   33.7357 27.4473 41.8548
+S   33.6174 27.3229 41.8940

1lf5_ligand_GppNHp_197_dock1/MCpath30.xyz

@@ -0,0 +1,253 @@
+251
+251
+S   34.9982 35.1589 38.9636
+S   34.9890 35.1359 38.9275
+S   35.0061 35.1505 38.9425
+S   35.0440 35.2156 38.9527
+S   35.0423 35.1359 39.0096
+S   34.9595 35.0846 39.0615
+S   34.9014 35.0800 39.0690
+S   34.8711 35.1029 38.9951
+S   34.8823 35.0511 38.9223
+S   34.8839 35.0193 38.8760
+S   34.8325 35.0284 38.7978
+S   34.7349 34.9700 38.7308
+S   34.6314 34.8494 38.7456
+S   34.6323 34.8079 38.7379
+S   34.6607 34.8185 38.8248
+S   34.6965 34.7438 38.9043
+S   34.7334 34.5973 38.9085
+S   34.7292 34.5341 38.9157
+S   34.6253 34.5303 38.8634
+S   34.5227 34.4630 38.8136
+S   34.4589 34.3779 38.7787
+S   34.4323 34.3227 38.7851
+S   34.4249 34.3628 38.7387
+S   34.4163 34.3976 38.6710
+S   34.4210 34.4292 38.5391
+S   34.3005 34.4854 38.4507
+S   34.2685 34.4808 38.4251
+S   34.1953 34.5377 38.3905
+S   34.1462 34.4633 38.3774
+S   34.1147 34.4527 38.3460
+S   34.0304 34.5046 38.3773
+S   33.9676 34.5500 38.3907
+S   33.9671 34.6062 38.4652
+S   33.8633 34.7004 38.5835
+S   33.7537 34.7705 38.7335
+S   33.7537 34.7678 38.7651
+S   33.8095 34.7697 38.7394
+S   33.7636 34.7560 38.6283
+S   33.7115 34.7730 38.5901
+S   33.6625 34.7824 38.5579
+S   33.5950 34.7780 38.4736
+S   33.5406 34.7213 38.3941
+S   33.5418 34.7142 38.5081
+S   33.5025 34.7171 38.6449
+S   33.4038 34.7177 38.7139
+S   33.2816 34.6257 38.6957
+S   33.2623 34.4730 38.7080
+S   33.3359 34.3038 38.7038
+S   33.3335 34.2692 38.6441
+S   33.2707 34.3048 38.6069
+S   33.2500 34.3321 38.6234
+S   33.3311 34.2647 38.6748
+S   33.2489 34.3013 38.6289
+S   33.2086 34.3016 38.7258
+S   33.1856 34.2208 38.8299
+S   33.0807 34.2419 38.8603
+S   33.0059 34.3131 38.8642
+S   32.9721 34.3043 38.9292
+S   32.9147 34.2208 38.9381
+S   32.7877 34.0751 38.8374
+S   32.7288 33.9921 38.8403
+S   32.7413 33.8682 38.8787
+S   32.7173 33.7591 38.9733
+S   32.7075 33.6538 38.9831
+S   32.6820 33.5159 38.9572
+S   32.7115 33.3653 38.9653
+S   32.7812 33.2480 38.9295
+S   32.8145 33.1804 38.9496
+S   32.9369 33.1668 39.0083
+S   33.0690 33.1757 38.9499
+S   33.1214 33.1793 38.7986
+S   33.2216 33.2174 38.6962
+S   33.3353 33.1620 38.6558
+S   33.4167 33.1242 38.6602
+S   33.5423 33.0624 38.6567
+S   33.7312 32.9141 38.6154
+S   33.8388 32.9076 38.6056
+S   33.8576 32.7988 38.7217
+S   33.8063 32.6738 38.7241
+S   33.7787 32.6058 38.8286
+S   33.8838 32.4854 38.9382
+S   34.0037 32.3477 38.9413
+S   33.9940 32.2746 38.8593
+S   33.9324 32.2265 38.8131
+S   33.9747 32.2070 38.8117
+S   34.0002 32.2561 38.8298
+S   34.1044 32.2580 38.8013
+S   34.2528 32.2250 38.7667
+S   34.4187 32.2906 38.7250
+S   34.5662 32.3842 38.7495
+S   34.7250 32.4678 38.7477
+S   34.7908 32.4883 38.7742
+S   34.9100 32.4806 38.7849
+S   35.0364 32.4962 38.6889
+S   35.1418 32.5355 38.5715
+S   35.1866 32.5830 38.5266
+S   35.1190 32.5904 38.5658
+S   35.1770 32.6606 38.6012
+S   35.1939 32.8229 38.6306
+S   35.2868 32.8622 38.6410
+S   35.3259 32.8522 38.6685
+S   35.4077 32.8957 38.8019
+S   35.4801 32.8604 38.8402
+S   35.5528 32.7731 38.7072
+S   35.6110 32.6855 38.6148
+S   35.6344 32.6179 38.5701
+S   35.7027 32.4708 38.5854
+S   35.8560 32.3603 38.5934
+S   35.9910 32.3639 38.4797
+S   36.0758 32.4242 38.3727
+S   36.1431 32.4588 38.4678
+S   36.2039 32.5592 38.5600
+S   36.1740 32.6440 38.5830
+S   36.1164 32.6805 38.6271
+S   36.1414 32.7263 38.6092
+S   36.2734 32.7480 38.5807
+S   36.3987 32.7675 38.4998
+S   36.4176 32.8715 38.4465
+S   36.3817 32.8801 38.4470
+S   36.4426 32.9150 38.4300
+S   36.4974 32.9436 38.4195
+S   36.5810 33.0087 38.5081
+S   36.5951 33.0016 38.6184
+S   36.6254 32.9836 38.6171
+S   36.6088 32.8875 38.6183
+S   36.6756 32.8062 38.4976
+S   36.6185 32.7508 38.3619
+S   36.5420 32.7677 38.3839
+S   36.6346 32.8478 38.5037
+S   36.6898 32.9113 38.5433
+S   36.6507 32.8582 38.4702
+S   36.5221 32.7772 38.3322
+S   36.5193 32.6685 38.2523
+S   36.6600 32.5541 38.2910
+S   36.7304 32.4070 38.2199
+S   36.7127 32.3731 38.1071
+S   36.6538 32.3710 37.9304
+S   36.6186 32.2911 37.6718
+S   36.5239 32.1895 37.3935
+S   36.3548 32.1609 37.2027
+S   36.2873 32.0467 37.1130
+S   36.1968 32.0182 37.0082
+S   36.2237 32.0904 36.9214
+S   36.2239 31.9845 36.9823
+S   36.2492 31.9286 36.9685
+S   36.2345 31.8617 36.9542
+S   36.3095 31.7048 36.9568
+S   36.3275 31.5854 36.9122
+S   36.3904 31.6296 36.8553
+S   36.5263 31.6937 36.9166
+S   36.5409 31.7024 36.8289
+S   36.5008 31.7327 36.7437
+S   36.3970 31.7650 36.7045
+S   36.3441 31.6924 36.6388
+S   36.2792 31.6433 36.5003
+S   36.3005 31.6666 36.3519
+S   36.3694 31.6907 36.1816
+S   36.4145 31.7490 35.9636
+S   36.4772 31.8201 35.6894
+S   36.5397 31.8523 35.3746
+S   36.5049 31.8662 35.1101
+S   36.5478 31.8374 34.9853
+S   36.5953 31.8564 34.9696
+S   36.6230 31.8963 35.0534
+S   36.6900 31.8860 35.1183
+S   36.7273 31.8761 35.1735
+S   36.7321 31.8724 35.2296
+S   36.7233 31.8970 35.2423
+S   36.6241 31.8849 35.2209
+S   36.5951 31.8380 35.2297
+S   36.7185 31.7526 35.1604
+S   36.8638 31.6553 35.0141
+S   36.9482 31.4936 34.7962
+S   37.0076 31.3840 34.7001
+S   37.0687 31.2158 34.5180
+S   37.0698 31.1000 34.4284
+S   37.0891 31.0428 34.3950
+S   37.1050 30.9827 34.3818
+S   37.2195 30.9140 34.3722
+S   37.3135 30.8329 34.4398
+S   37.3642 30.6811 34.4333
+S   37.4922 30.5431 34.3344
+S   37.5821 30.4070 34.2880
+S   37.7427 30.2407 34.1514
+S   37.8364 30.2421 34.1240
+S   37.8441 30.3416 34.1895
+S   37.8393 30.4986 34.1291
+S   37.8344 30.6207 34.0189
+S   37.9389 30.6341 33.8947
+S   38.0450 30.6553 33.7276
+S   38.1010 30.6124 33.5740
+S   38.2721 30.5744 33.5240
+S   38.4374 30.5100 33.4896
+S   38.5602 30.4310 33.4442
+S   38.6866 30.5036 33.4804
+S   38.7973 30.6008 33.5001
+S   38.8664 30.6028 33.5120
+S   39.0343 30.7113 33.5561
+S   39.2037 30.8532 33.5073
+S   39.4109 30.9036 33.5106
+S   39.5148 30.8524 33.5183
+S   39.5471 30.7296 33.4862
+S   39.5602 30.6510 33.4552
+S   39.6159 30.6162 33.4927
+S   39.6362 30.7417 33.5307
+S   39.6802 30.7745 33.5690
+S   39.6769 30.8360 33.5285
+S   39.7259 30.7975 33.5056
+S   39.7272 30.8031 33.5008
+S   39.7728 30.7738 33.5486
+S   39.8269 30.6771 33.6554
+S   39.9402 30.6231 33.7160
+S   40.0447 30.6694 33.7827
+S   40.1321 30.7203 33.7702
+S   40.1280 30.5535 33.8299
+S   40.1111 30.4293 33.8027
+S   40.1585 30.4283 33.7739
+S   40.2291 30.4565 33.7388
+S   40.3424 30.4973 33.7694
+S   40.4716 30.4499 33.8046
+S   40.5364 30.4418 33.7582
+S   40.6699 30.4416 33.7015
+S   40.8281 30.4737 33.6105
+S   41.0545 30.5012 33.5198
+S   41.1926 30.4819 33.4371
+S   41.2898 30.4222 33.3708
+S   41.3735 30.3854 33.3392
+S   41.4080 30.3489 33.2833
+S   41.4018 30.4468 33.3635
+S   41.4916 30.3980 33.3877
+S   41.5433 30.3634 33.3783
+S   41.6990 30.3374 33.3267
+S   41.7256 30.3278 33.1654
+S   41.6773 30.3586 32.9493
+S   41.5831 30.3589 32.7326
+S   41.4951 30.3649 32.6335
+S   41.4395 30.3948 32.5561
+S   41.3554 30.4418 32.4631
+S   41.2997 30.4866 32.4001
+S   41.1632 30.5083 32.3424
+S   41.0253 30.4686 32.2502
+S   40.9045 30.3946 32.1034
+S   40.8544 30.3449 32.0341
+S   40.8189 30.3273 31.9005
+S   40.8269 30.3974 31.7414
+S   40.7175 30.5193 31.6404
+S   40.5512 30.6682 31.5658
+S   40.4695 30.6628 31.4976
+S   40.4437 30.5301 31.3796
+S   40.4059 30.4552 31.2917
+S   40.3910 30.5337 31.2526

1lf5_ligand_GppNHp_197_dock1/MCpath31.xyz

@@ -0,0 +1,101 @@
+99
+99
+S   34.8801 35.2711 38.9051
+S   34.9216 35.3803 38.9261
+S   34.8745 35.4182 38.9726
+S   34.8254 35.4438 39.0759
+S   34.8372 35.3965 39.1595
+S   34.8421 35.3414 39.2105
+S   34.8587 35.3445 39.1474
+S   34.8575 35.3218 39.1523
+S   34.8606 35.2968 39.1017
+S   34.8400 35.3034 38.9868
+S   34.8599 35.3225 38.9538
+S   34.9202 35.4262 38.9176
+S   35.0604 35.4309 38.8223
+S   35.1249 35.4255 38.9064
+S   35.1311 35.5144 38.8124
+S   35.1296 35.5012 38.7084
+S   35.1763 35.5553 38.7231
+S   35.1339 35.4864 38.7375
+S   35.0335 35.3696 38.6566
+S   34.9547 35.2665 38.6099
+S   34.9068 35.2187 38.5761
+S   34.9034 35.1580 38.5750
+S   34.9468 34.9814 38.6713
+S   34.9453 34.8334 38.7635
+S   34.8599 34.8166 38.8392
+S   34.7532 34.8446 38.9235
+S   34.7496 34.7636 38.8711
+S   34.7027 34.6527 38.8425
+S   34.7492 34.5837 38.8629
+S   34.7372 34.5575 38.7960
+S   34.6804 34.5149 38.7065
+S   34.6071 34.4091 38.6827
+S   34.5681 34.3422 38.6816
+S   34.5756 34.2789 38.6823
+S   34.5297 34.1823 38.6151
+S   34.5440 34.1132 38.5929
+S   34.5958 34.0898 38.6743
+S   34.6701 34.0142 38.6767
+S   34.6954 34.0248 38.6608
+S   34.6805 34.0063 38.6485
+S   34.6277 33.9116 38.6839
+S   34.5638 33.9499 38.7820
+S   34.5893 33.9308 38.8812
+S   34.6449 33.8480 38.9069
+S   34.6672 33.7550 38.8474
+S   34.6690 33.6516 38.8184
+S   34.6608 33.6582 38.7928
+S   34.6680 33.7192 38.7743
+S   34.6862 33.7087 38.7871
+S   34.6182 33.6548 38.7701
+S   34.4721 33.5941 38.6987
+S   34.3869 33.5169 38.7298
+S   34.3538 33.4425 38.7456
+S   34.3571 33.3291 38.7430
+S   34.4561 33.1911 38.7474
+S   34.5451 33.0737 38.7564
+S   34.6406 33.1182 38.7729
+S   34.7544 33.1383 38.7667
+S   34.7579 33.0269 38.8117
+S   34.7282 32.8439 38.8193
+S   34.7207 32.7488 38.8497
+S   34.7584 32.6855 38.8128
+S   34.7187 32.6720 38.8395
+S   34.6479 32.6555 38.9089
+S   34.5907 32.6619 38.8676
+S   34.6021 32.7213 38.8753
+S   34.6099 32.8173 38.8526
+S   34.6206 32.9493 38.8910
+S   34.6460 32.9504 38.8918
+S   34.5971 33.0360 38.9316
+S   34.5765 33.0171 38.8984
+S   34.5678 32.9924 38.6931
+S   34.6671 32.8781 38.6120
+S   34.7803 32.7861 38.4938
+S   34.8356 32.7458 38.3442
+S   34.8704 32.7131 38.2214
+S   34.9466 32.6476 38.1537
+S   35.0536 32.4766 38.1444
+S   35.0181 32.2396 38.1367
+S   34.9084 32.0464 38.2368
+S   34.8525 31.9547 38.3176
+S   34.9008 31.9852 38.4117
+S   34.8843 32.0859 38.4335
+S   34.9051 32.2012 38.4635
+S   34.9417 32.2956 38.5742
+S   34.9508 32.2958 38.5954
+S   34.9596 32.2014 38.5334
+S   34.8923 32.0907 38.4832
+S   34.8529 32.0246 38.5186
+S   34.8468 31.9190 38.4219
+S   34.8713 31.8378 38.3822
+S   34.8139 31.7483 38.2657
+S   34.8008 31.5505 38.1287
+S   34.7737 31.4525 38.0446
+S   34.8325 31.4996 37.9876
+S   34.8637 31.5146 37.8320
+S   34.8767 31.6145 37.6559
+S   34.8958 31.7262 37.3938
+S   34.8608 31.7665 37.1475

1lf5_ligand_GppNHp_197_dock1/MCpath32.xyz

@@ -0,0 +1,268 @@
+266
+266
+S   35.0646 35.1073 39.0115
+S   35.0177 35.1079 39.0499
+S   35.0005 35.0924 39.0314
+S   34.9951 35.1351 38.9830
+S   35.1147 35.1673 39.0258
+S   35.2195 35.1751 39.0091
+S   35.2596 35.1705 39.0097
+S   35.1981 35.1762 38.9997
+S   35.1978 35.2247 38.9146
+S   35.1597 35.3087 38.8016
+S   35.0710 35.3707 38.8406
+S   35.0106 35.3268 38.8048
+S   35.0179 35.3162 38.8141
+S   34.9868 35.3142 38.9236
+S   35.0505 35.2501 38.9219
+S   35.0436 35.2402 38.8905
+S   35.0177 35.3134 38.9869
+S   34.9424 35.3509 38.9924
+S   34.8551 35.3690 38.9378
+S   34.7878 35.4001 38.8284
+S   34.7106 35.4513 38.6831
+S   34.6982 35.4341 38.6148
+S   34.7092 35.4077 38.6128
+S   34.6798 35.4797 38.6435
+S   34.5676 35.5561 38.6683
+S   34.4783 35.5814 38.7285
+S   34.4630 35.5339 38.7316
+S   34.4756 35.4568 38.7447
+S   34.4658 35.5017 38.6989
+S   34.4953 35.5630 38.7400
+S   34.6613 35.5472 38.8118
+S   34.7326 35.5482 38.8257
+S   34.6251 35.5592 38.7996
+S   34.4945 35.5808 38.7302
+S   34.4566 35.5316 38.7002
+S   34.3899 35.5449 38.6596
+S   34.3990 35.5129 38.6287
+S   34.5202 35.6419 38.5547
+S   34.6831 35.6289 38.5181
+S   34.7707 35.6203 38.4641
+S   34.7065 35.5990 38.3984
+S   34.6401 35.5545 38.3246
+S   34.5671 35.4913 38.3254
+S   34.5023 35.3784 38.3007
+S   34.5113 35.4595 38.3746
+S   34.5214 35.5488 38.3996
+S   34.5385 35.5868 38.4089
+S   34.5671 35.6185 38.5217
+S   34.5166 35.6007 38.5691
+S   34.4432 35.6286 38.4404
+S   34.3560 35.6369 38.3776
+S   34.3967 35.5931 38.3548
+S   34.4120 35.5300 38.3881
+S   34.3727 35.5923 38.3518
+S   34.4120 35.6578 38.3808
+S   34.4928 35.6859 38.4089
+S   34.5050 35.7076 38.3971
+S   34.4912 35.5973 38.4300
+S   34.5108 35.4814 38.4003
+S   34.5745 35.4142 38.3537
+S   34.6198 35.4878 38.4883
+S   34.6148 35.5473 38.5759
+S   34.4446 35.6291 38.5679
+S   34.3762 35.7156 38.5281
+S   34.4087 35.7142 38.5524
+S   34.3680 35.7451 38.4972
+S   34.3541 35.6385 38.5238
+S   34.3514 35.5218 38.5734
+S   34.3228 35.3874 38.5422
+S   34.2859 35.4455 38.6592
+S   34.3050 35.5643 38.6557
+S   34.2770 35.4993 38.6230
+S   34.2712 35.4301 38.5821
+S   34.2993 35.3547 38.5908
+S   34.2715 35.4501 38.5635
+S   34.3267 35.5543 38.5859
+S   34.2540 35.5434 38.5912
+S   34.2763 35.5734 38.6052
+S   34.3998 35.5563 38.6217
+S   34.3843 35.5114 38.6276
+S   34.3388 35.4781 38.6101
+S   34.2942 35.5811 38.5135
+S   34.2624 35.5818 38.3884
+S   34.3215 35.5431 38.3910
+S   34.4055 35.5004 38.4403
+S   34.4587 35.3778 38.4145
+S   34.4899 35.2532 38.4063
+S   34.4884 35.2310 38.3889
+S   34.5181 35.1890 38.3749
+S   34.4702 35.2285 38.3717
+S   34.5418 35.2907 38.2373
+S   34.6194 35.4152 38.1424
+S   34.6865 35.4627 37.8732
+S   34.7817 35.4497 37.4845
+S   34.8894 35.3922 37.2657
+S   34.9234 35.3412 36.9399
+S   34.9361 35.3562 36.9256
+S   34.9003 35.3089 36.9142
+S   34.8216 35.1740 36.9518
+S   34.7912 35.0814 37.0980
+S   34.7620 34.9031 37.2238
+S   34.7865 34.4542 37.1451
+S   34.8368 34.1109 37.0579
+S   34.8081 33.9805 37.1356
+S   34.7347 33.9637 37.2995
+S   34.7420 33.9716 37.4860
+S   34.6459 33.9575 37.6085
+S   34.6366 33.8261 37.7637
+S   34.6605 33.6672 37.8324
+S   34.6394 33.4906 37.9368
+S   34.6661 33.4274 37.9410
+S   34.7602 33.4247 37.9123
+S   34.7899 33.4570 37.7756
+S   34.8252 33.4306 37.6394
+S   34.7762 33.3497 37.5537
+S   34.7216 33.2852 37.4856
+S   34.8089 33.1703 37.4117
+S   34.8718 33.0693 37.5000
+S   34.8604 32.9746 37.6071
+S   34.8317 32.9128 37.6743
+S   34.8144 32.9632 37.7931
+S   34.8743 33.0375 37.9103
+S   34.8295 33.1025 38.0593
+S   34.8476 33.1120 38.1651
+S   34.8666 33.1471 38.3280
+S   34.8426 33.1658 38.4188
+S   34.7730 33.1604 38.5702
+S   34.7229 33.1653 38.7239
+S   34.6670 33.0970 38.9210
+S   34.5701 33.0040 38.9776
+S   34.5156 32.9198 39.0463
+S   34.4177 32.7943 39.0780
+S   34.3214 32.5988 39.0265
+S   34.2976 32.5435 39.0739
+S   34.2847 32.4656 39.1195
+S   34.2963 32.4592 39.1935
+S   34.2453 32.4799 39.2640
+S   34.2009 32.4936 39.3853
+S   34.1389 32.5617 39.3935
+S   34.2090 32.6481 39.3981
+S   34.2534 32.6919 39.4315
+S   34.2615 32.7860 39.4666
+S   34.2329 32.9030 39.5098
+S   34.2567 33.0650 39.5124
+S   34.2482 33.1697 39.5583
+S   34.2269 33.1217 39.5955
+S   34.1817 33.0307 39.6339
+S   34.1748 32.9206 39.7324
+S   34.1951 32.8067 39.8079
+S   34.1680 32.6960 39.8294
+S   34.0622 32.6361 39.8300
+S   33.8554 32.6365 39.8208
+S   33.7404 32.6313 39.8132
+S   33.6741 32.6784 39.8409
+S   33.5139 32.7121 39.7940
+S   33.3459 32.6680 39.8348
+S   33.2915 32.5235 39.8133
+S   33.2500 32.4546 39.7664
+S   33.2426 32.4645 39.7688
+S   33.1425 32.4679 39.7361
+S   33.0095 32.5615 39.7442
+S   32.9698 32.6680 39.8268
+S   32.9845 32.7221 39.7953
+S   32.9713 32.6900 39.7112
+S   32.9844 32.6488 39.6107
+S   32.8963 32.5501 39.5190
+S   32.8329 32.5134 39.4808
+S   32.8989 32.6191 39.3958
+S   32.8635 32.6830 39.3975
+S   32.6924 32.7709 39.4164
+S   32.4681 32.8406 39.4511
+S   32.3693 32.9170 39.5739
+S   32.3372 32.9649 39.5167
+S   32.3789 32.9517 39.5978
+S   32.4253 32.9227 39.6793
+S   32.3949 32.8396 39.6975
+S   32.3598 32.7974 39.6784
+S   32.2807 32.7733 39.5083
+S   32.2087 32.7466 39.4194
+S   32.1850 32.7406 39.4271
+S   32.2158 32.7732 39.5413
+S   32.2656 32.7575 39.5698
+S   32.2819 32.6568 39.4549
+S   32.2013 32.6132 39.4229
+S   32.0645 32.6189 39.3964
+S   32.0180 32.6132 39.3799
+S   31.9879 32.4776 39.5234
+S   31.8836 32.3394 39.6031
+S   31.8184 32.2822 39.7262
+S   31.7502 32.1621 39.8288
+S   31.7823 32.0838 39.9518
+S   31.7600 32.1151 39.9713
+S   31.8181 32.1125 39.9521
+S   31.7922 32.0635 39.8539
+S   31.7421 32.0030 39.8787
+S   31.7222 31.8940 39.8552
+S   31.7445 31.8705 39.8320
+S   31.8805 31.8027 39.8460
+S   32.0370 31.7920 39.8433
+S   32.0384 31.7811 39.7272
+S   32.0271 31.7591 39.6380
+S   32.0123 31.6995 39.5423
+S   31.9364 31.6620 39.5461
+S   31.8831 31.5133 39.5300
+S   31.8562 31.4040 39.5488
+S   31.8316 31.3185 39.5817
+S   31.7435 31.2223 39.6641
+S   31.7365 31.2729 39.7315
+S   31.8416 31.2455 39.7453
+S   32.0009 31.1974 39.7572
+S   32.2139 31.1006 39.7099
+S   32.4157 31.0016 39.6384
+S   32.5584 30.9560 39.5456
+S   32.8028 31.0126 39.4174
+S   33.0338 30.9907 39.2714
+S   33.2034 30.9634 39.2088
+S   33.2967 30.9790 39.2282
+S   33.3660 31.0585 39.2722
+S   33.3601 31.1282 39.2038
+S   33.4367 31.1399 39.2439
+S   33.4649 31.0391 39.2690
+S   33.5080 30.8635 39.3136
+S   33.5967 30.6710 39.2711
+S   33.6499 30.5163 39.2392
+S   33.7794 30.3347 39.2893
+S   33.8617 30.1958 39.3366
+S   33.9021 30.1784 39.3970
+S   33.9392 30.1678 39.3339
+S   33.8413 30.1830 39.2916
+S   33.7799 30.1546 39.3226
+S   33.6565 30.1691 39.4206
+S   33.5439 30.2111 39.5282
+S   33.5504 30.2473 39.5074
+S   33.5484 30.2247 39.4777
+S   33.4469 30.1654 39.4765
+S   33.3866 30.1013 39.6171
+S   33.3240 30.0286 39.6044
+S   33.2958 29.9302 39.6023
+S   33.3159 29.8533 39.5448
+S   33.3182 29.8350 39.5813
+S   33.3837 29.7777 39.6263
+S   33.4898 29.6521 39.6003
+S   33.6867 29.5399 39.6396
+S   33.8415 29.4389 39.6082
+S   33.8703 29.2948 39.6111
+S   33.9069 29.3007 39.5378
+S   33.8450 29.3250 39.4472
+S   33.6901 29.2707 39.4606
+S   33.6338 29.2039 39.5216
+S   33.6481 29.0796 39.5011
+S   33.6977 28.8724 39.4156
+S   33.7282 28.7985 39.4188
+S   33.7258 28.7563 39.4721
+S   33.6837 28.7020 39.5926
+S   33.6538 28.6585 39.6268
+S   33.6903 28.6238 39.6925
+S   33.7162 28.6007 39.7063
+S   33.7014 28.5107 39.6961
+S   33.7468 28.4692 39.7272
+S   33.7423 28.4096 39.7292
+S   33.7664 28.3206 39.6832
+S   33.6917 28.3106 39.6128
+S   33.6776 28.3683 39.5818
+S   33.5945 28.4386 39.5785
+S   33.4329 28.3561 39.4925
+S   33.3496 28.2983 39.5158

1lf5_ligand_GppNHp_197_dock1/MCpath33.xyz

@@ -0,0 +1,111 @@
+109
+109
+S   34.9109 35.2327 39.2042
+S   34.8699 35.2804 39.1351
+S   34.8274 35.3043 39.0210
+S   34.8145 35.2844 38.9539
+S   34.7980 35.2988 38.9190
+S   34.8207 35.2368 38.8684
+S   34.7843 35.2513 38.8272
+S   34.7129 35.2714 38.8016
+S   34.7214 35.2974 38.8797
+S   34.7117 35.2981 38.9315
+S   34.7400 35.2878 38.9844
+S   34.7581 35.2937 38.8962
+S   34.7181 35.2759 38.8852
+S   34.7286 35.2795 38.8723
+S   34.7903 35.2644 38.8571
+S   34.8305 35.3387 38.8911
+S   34.8923 35.4281 38.8247
+S   34.9230 35.4831 38.8207
+S   34.9301 35.5352 38.8750
+S   34.8531 35.6132 38.9114
+S   34.7807 35.5979 38.9159
+S   34.6959 35.5851 38.8613
+S   34.6001 35.5617 38.7657
+S   34.6093 35.4268 38.6490
+S   34.5601 35.3671 38.6341
+S   34.5424 35.3850 38.6707
+S   34.5491 35.3851 38.6621
+S   34.5155 35.4451 38.5620
+S   34.4687 35.5017 38.5043
+S   34.4223 35.5252 38.4042
+S   34.3494 35.5036 38.3303
+S   34.3260 35.5588 38.2896
+S   34.2791 35.4885 38.3208
+S   34.2649 35.5097 38.4408
+S   34.2407 35.5212 38.4620
+S   34.2280 35.5313 38.3928
+S   34.2935 35.4865 38.4212
+S   34.3580 35.5383 38.4368
+S   34.4285 35.6605 38.4042
+S   34.4529 35.7130 38.3835
+S   34.4151 35.7276 38.3624
+S   34.4226 35.6661 38.4011
+S   34.4890 35.5504 38.4596
+S   34.5213 35.5214 38.4286
+S   34.5419 35.5068 38.3684
+S   34.6275 35.4662 38.3245
+S   34.5855 35.4481 38.3076
+S   34.5340 35.3728 38.2407
+S   34.5613 35.4166 38.2088
+S   34.6093 35.4547 38.1227
+S   34.7025 35.4497 38.0464
+S   34.7132 35.4578 37.8526
+S   34.7396 35.4614 37.5903
+S   34.7217 35.3895 37.3985
+S   34.6840 35.2271 37.2528
+S   34.6508 35.1487 37.1624
+S   34.6086 34.9565 37.2225
+S   34.5860 34.5678 37.2873
+S   34.5031 34.2767 37.2384
+S   34.5002 34.0927 37.1817
+S   34.5390 34.0114 37.2458
+S   34.6760 33.9147 37.3800
+S   34.8264 33.8915 37.4465
+S   34.8387 33.9237 37.5362
+S   34.8028 33.9998 37.7874
+S   34.7033 33.9388 37.9757
+S   34.6428 33.8447 38.0830
+S   34.6713 33.7082 38.1259
+S   34.7106 33.5518 38.0542
+S   34.6895 33.5166 37.9866
+S   34.6860 33.4739 37.9476
+S   34.5729 33.4027 37.8448
+S   34.5593 33.2733 37.7152
+S   34.6266 33.1759 37.6038
+S   34.6809 33.1258 37.6021
+S   34.6924 33.1003 37.7332
+S   34.7043 33.1275 37.8352
+S   34.7454 33.1863 37.9658
+S   34.8052 33.2608 38.0719
+S   34.7918 33.3329 38.0614
+S   34.7452 33.3527 38.0132
+S   34.6683 33.3114 37.9092
+S   34.5969 33.2983 37.8299
+S   34.5581 33.3103 37.8017
+S   34.5382 33.3760 37.8021
+S   34.4833 33.4413 37.8167
+S   34.4590 33.3915 37.7794
+S   34.4388 33.3633 37.7541
+S   34.4371 33.2856 37.7904
+S   34.4073 33.1989 37.8515
+S   34.3616 33.0785 37.9087
+S   34.4188 32.9098 37.9720
+S   34.4740 32.7104 37.9643
+S   34.5043 32.5136 37.9338
+S   34.5246 32.3819 37.9102
+S   34.5284 32.2062 37.8379
+S   34.5839 32.1845 37.8149
+S   34.6800 32.1614 37.8479
+S   34.7431 32.1614 37.8357
+S   34.6886 32.0938 37.8620
+S   34.6872 32.1042 37.8876
+S   34.6950 32.0671 37.8834
+S   34.6869 31.9791 37.8493
+S   34.7839 31.8294 37.7909
+S   34.8081 31.6706 37.7586
+S   34.8243 31.5218 37.6969
+S   34.8513 31.3957 37.6108
+S   34.8631 31.2729 37.4945
+S   34.9069 31.2110 37.5326

1lf5_ligand_GppNHp_197_dock1/MCpath34.xyz

@@ -0,0 +1,96 @@
+94
+94
+S   34.9059 35.0606 38.9392
+S   34.8143 35.0113 38.9427
+S   34.7161 35.0329 38.9908
+S   34.6783 35.0473 39.0410
+S   34.6543 35.0198 39.0760
+S   34.6180 35.0612 39.0968
+S   34.5490 35.0392 39.0697
+S   34.5989 35.0176 38.9810
+S   34.7328 34.9744 38.8877
+S   34.7518 34.8852 38.8350
+S   34.7537 34.8030 38.7931
+S   34.7848 34.7209 38.7823
+S   34.8411 34.6516 38.7486
+S   34.8484 34.6448 38.6943
+S   34.8673 34.6205 38.7601
+S   34.8226 34.5332 38.8018
+S   34.7639 34.5244 38.7209
+S   34.7465 34.6825 38.6410
+S   34.7996 34.7502 38.5950
+S   34.9480 34.8179 38.5550
+S   34.9343 34.8198 38.5601
+S   34.8807 34.7585 38.5776
+S   34.7365 34.6637 38.5622
+S   34.7067 34.5961 38.5715
+S   34.7209 34.5015 38.5692
+S   34.6377 34.4001 38.5107
+S   34.5330 34.4196 38.4923
+S   34.5621 34.4110 38.4315
+S   34.6260 34.4774 38.3594
+S   34.7338 34.5398 38.3416
+S   34.7731 34.6364 38.3654
+S   34.8281 34.7004 38.3257
+S   34.7961 34.7154 38.3524
+S   34.7712 34.6685 38.4229
+S   34.7521 34.6061 38.4112
+S   34.7745 34.6147 38.3806
+S   34.7632 34.5642 38.5096
+S   34.6714 34.4844 38.6936
+S   34.6168 34.3892 38.8477
+S   34.5205 34.4177 38.8220
+S   34.3758 34.4639 38.8268
+S   34.3322 34.4865 38.6970
+S   34.4374 34.4569 38.6270
+S   34.4689 34.4839 38.6077
+S   34.3584 34.4969 38.6217
+S   34.1556 34.5401 38.5869
+S   33.9846 34.5684 38.5159
+S   33.7806 34.5659 38.4772
+S   33.5193 34.5518 38.5364
+S   33.2065 34.5777 38.6087
+S   33.0567 34.5583 38.6746
+S   33.1013 34.5084 38.7856
+S   33.2444 34.4746 38.8122
+S   33.2287 34.5078 38.7486
+S   33.1190 34.5266 38.6717
+S   33.0981 34.4451 38.6003
+S   33.1781 34.4157 38.6326
+S   33.2102 34.3645 38.5794
+S   33.1398 34.2689 38.5185
+S   33.0765 34.2459 38.6454
+S   32.9745 34.2705 38.8254
+S   32.8421 34.3190 38.9510
+S   32.7757 34.3687 39.0405
+S   32.8196 34.3739 39.0844
+S   32.7660 34.3811 39.1204
+S   32.6615 34.3494 39.0349
+S   32.5817 34.3035 39.0003
+S   32.5575 34.3201 38.9046
+S   32.5333 34.3214 38.8541
+S   32.5900 34.2775 38.9505
+S   32.6747 34.2939 39.0214
+S   32.7217 34.3202 39.0168
+S   32.6147 34.3576 38.9670
+S   32.5866 34.4229 38.8365
+S   32.6031 34.4557 38.7652
+S   32.5861 34.4351 38.7122
+S   32.6002 34.3629 38.6573
+S   32.5506 34.2924 38.5629
+S   32.5775 34.2283 38.5187
+S   32.5917 34.1002 38.4851
+S   32.5857 33.9222 38.5039
+S   32.6025 33.7254 38.5404
+S   32.5996 33.5824 38.5168
+S   32.5042 33.4095 38.5203
+S   32.3890 33.2226 38.5332
+S   32.2932 33.0002 38.6751
+S   32.3490 32.7760 38.7883
+S   32.4207 32.6767 38.8253
+S   32.5256 32.5704 38.8391
+S   32.6121 32.4882 38.8684
+S   32.6513 32.4601 38.7994
+S   32.6141 32.4502 38.8155
+S   32.6671 32.3610 38.8033
+S   32.7583 32.1723 38.8455

1lf5_ligand_GppNHp_197_dock1/MCpath35.xyz

@@ -0,0 +1,263 @@
+261
+261
+S   35.0718 35.1093 39.0319
+S   35.1564 35.0758 38.9957
+S   35.2213 35.0583 38.9454
+S   35.2557 35.0913 38.9341
+S   35.2445 35.1260 38.9206
+S   35.2837 35.1307 38.9897
+S   35.2740 35.0356 38.9791
+S   35.1782 35.0129 38.8928
+S   35.0998 35.0027 38.8709
+S   35.0956 34.9505 38.8142
+S   35.1109 34.9356 38.8107
+S   35.0223 34.9272 38.7761
+S   35.0311 34.9446 38.7987
+S   34.9434 34.9606 38.7739
+S   34.8606 34.9619 38.7444
+S   34.7422 34.9882 38.7364
+S   34.6581 34.8936 38.7111
+S   34.6710 34.7933 38.7141
+S   34.6753 34.7320 38.7484
+S   34.7209 34.7176 38.6973
+S   34.7390 34.7005 38.7550
+S   34.7270 34.6039 38.8146
+S   34.6576 34.4496 38.8555
+S   34.5567 34.3180 38.8403
+S   34.4953 34.2558 38.9037
+S   34.4414 34.2636 38.8414
+S   34.3724 34.2653 38.7902
+S   34.3764 34.2590 38.7583
+S   34.3708 34.2934 38.7805
+S   34.3685 34.3752 38.7617
+S   34.3562 34.3340 38.7204
+S   34.3235 34.3026 38.6696
+S   34.2580 34.3644 38.4666
+S   34.1795 34.3845 38.3242
+S   34.1716 34.3964 38.2545
+S   34.1085 34.3319 38.3144
+S   33.9580 34.3984 38.5297
+S   33.7370 34.5045 38.6967
+S   33.6135 34.5423 38.7223
+S   33.5966 34.5554 38.7046
+S   33.5529 34.5334 38.5967
+S   33.4435 34.4988 38.4667
+S   33.2839 34.5740 38.4012
+S   33.1459 34.6901 38.4777
+S   33.1267 34.7555 38.5568
+S   33.0738 34.7368 38.7077
+S   33.0823 34.6925 38.8024
+S   33.1216 34.6180 38.8588
+S   33.0800 34.4951 38.8899
+S   32.9832 34.4919 38.8880
+S   32.9281 34.5336 38.9095
+S   32.9372 34.5437 38.9251
+S   32.9795 34.5257 38.9103
+S   32.9517 34.5039 38.8855
+S   32.8109 34.4991 38.9595
+S   32.6595 34.5486 38.9953
+S   32.6804 34.6186 39.0463
+S   32.8181 34.5257 38.9116
+S   32.8271 34.4671 38.7944
+S   32.8992 34.5028 38.7960
+S   32.9873 34.5506 38.7822
+S   33.0056 34.5827 38.7345
+S   33.0286 34.4956 38.6785
+S   33.0585 34.4975 38.6777
+S   33.0558 34.5426 38.7057
+S   33.0060 34.5874 38.6656
+S   32.9954 34.5822 38.6402
+S   33.0001 34.6072 38.6448
+S   33.0286 34.5741 38.6966
+S   32.9950 34.5367 38.6838
+S   32.9766 34.4708 38.6118
+S   32.9615 34.3659 38.5758
+S   32.8489 34.3553 38.6138
+S   32.7167 34.3614 38.7228
+S   32.5556 34.4011 38.7613
+S   32.4640 34.3499 38.6864
+S   32.3759 34.3447 38.6129
+S   32.3093 34.3117 38.5261
+S   32.3631 34.4304 38.5307
+S   32.4334 34.4533 38.5550
+S   32.5012 34.5644 38.6109
+S   32.5848 34.6061 38.6287
+S   32.5605 34.5723 38.6640
+S   32.5249 34.5048 38.6288
+S   32.5583 34.4663 38.6018
+S   32.5562 34.4294 38.6280
+S   32.4933 34.3846 38.6477
+S   32.4268 34.2948 38.7531
+S   32.3548 34.2933 38.8564
+S   32.3030 34.3049 38.8768
+S   32.3111 34.3321 38.8984
+S   32.2332 34.2478 38.9056
+S   32.2625 34.2067 38.8631
+S   32.3307 34.0707 38.8529
+S   32.3192 33.6665 38.7668
+S   32.3384 33.2846 38.6722
+S   32.3538 32.9893 38.7306
+S   32.4908 32.8171 38.8074
+S   32.6381 32.6841 38.8322
+S   32.7527 32.6049 38.9995
+S   32.9162 32.5761 39.0833
+S   33.0912 32.5856 39.1527
+S   33.1787 32.6255 39.2515
+S   33.1921 32.6323 39.2939
+S   33.1589 32.6922 39.4092
+S   33.1502 32.6861 39.5574
+S   33.0789 32.6207 39.7424
+S   32.9867 32.5033 39.8967
+S   32.9220 32.3749 39.9924
+S   32.9000 32.2084 40.0675
+S   32.8353 32.0924 40.0475
+S   32.8247 32.1414 40.0295
+S   32.7604 32.2074 40.0383
+S   32.7781 32.2013 40.0008
+S   32.8070 32.1628 39.9227
+S   32.9668 32.1479 39.9063
+S   33.0958 32.0939 39.8882
+S   33.1219 32.0446 39.9008
+S   33.1810 31.9102 39.9298
+S   33.2941 31.8318 39.8889
+S   33.4190 31.8306 39.8350
+S   33.5975 31.8466 39.7432
+S   33.6688 31.9419 39.7342
+S   33.6911 32.0202 39.7129
+S   33.7072 32.0822 39.6946
+S   33.7540 32.1706 39.7285
+S   33.7686 32.1591 39.6616
+S   33.7556 32.0456 39.7236
+S   33.8243 31.9884 39.7377
+S   33.7926 31.9204 39.7631
+S   33.7825 31.8566 39.7584
+S   33.7359 31.8516 39.6889
+S   33.7956 31.8936 39.7054
+S   33.8462 31.9397 39.6450
+S   33.9623 31.9205 39.6353
+S   34.0201 31.8290 39.7062
+S   34.0264 31.6976 39.7754
+S   34.0106 31.4890 39.7675
+S   33.9297 31.3393 39.7459
+S   33.8470 31.1902 39.7679
+S   33.7326 31.0547 39.7612
+S   33.5179 31.1072 39.7548
+S   33.4458 31.0991 39.6698
+S   33.3678 31.0486 39.6411
+S   33.2374 30.9720 39.6254
+S   33.1714 30.7607 39.7206
+S   33.2214 30.5188 39.7696
+S   33.3273 30.3404 39.7639
+S   33.4292 30.2558 39.7745
+S   33.4954 30.2585 39.7597
+S   33.5055 30.2797 39.7167
+S   33.4391 30.2848 39.6124
+S   33.3568 30.2355 39.6530
+S   33.3116 30.1373 39.7257
+S   33.2945 30.0728 39.7275
+S   33.3157 29.9867 39.7916
+S   33.3974 30.0236 39.9596
+S   33.4694 29.9075 40.0791
+S   33.5649 29.8030 40.1970
+S   33.5741 29.7490 40.3043
+S   33.5039 29.6932 40.3354
+S   33.4760 29.7420 40.3333
+S   33.4980 29.7751 40.3527
+S   33.5481 29.7540 40.4175
+S   33.4775 29.7014 40.5109
+S   33.4115 29.6467 40.6106
+S   33.3273 29.5638 40.7219
+S   33.2919 29.4932 40.8544
+S   33.2736 29.4223 41.0531
+S   33.1179 29.4295 41.1214
+S   33.0193 29.5158 41.1897
+S   32.9604 29.5683 41.2277
+S   32.8946 29.6272 41.3154
+S   32.8449 29.8608 41.3956
+S   32.7797 30.0554 41.4123
+S   32.7497 30.1518 41.4715
+S   32.6871 30.1356 41.4493
+S   32.5875 30.0682 41.5082
+S   32.4101 30.0059 41.5496
+S   32.3179 29.9517 41.5626
+S   32.2678 29.9323 41.6510
+S   32.1874 29.7893 41.8138
+S   32.0464 29.7614 41.8776
+S   31.9290 29.7206 41.9882
+S   31.7703 29.6717 42.0902
+S   31.6532 29.7166 42.2078
+S   31.4934 29.9342 42.3453
+S   31.4202 30.1011 42.5450
+S   31.3611 30.1288 42.6352
+S   31.2953 30.0056 42.7050
+S   31.2544 29.8613 42.7930
+S   31.2480 29.8101 42.7827
+S   31.2348 29.8064 42.8218
+S   31.2531 29.7870 42.9151
+S   31.1589 29.6866 43.0152
+S   30.9847 29.6245 42.9767
+S   30.9009 29.6894 42.8987
+S   30.8948 29.7006 42.8619
+S   30.8934 29.7438 42.8280
+S   30.9565 29.7469 42.7596
+S   30.8631 29.7468 42.6526
+S   30.6998 29.7603 42.5487
+S   30.5675 29.7684 42.5308
+S   30.4996 29.7022 42.5226
+S   30.4695 29.6576 42.5332
+S   30.5023 29.6869 42.5903
+S   30.4689 29.6935 42.6673
+S   30.4046 29.6878 42.6713
+S   30.3789 29.6622 42.6941
+S   30.4336 29.6784 42.7019
+S   30.3339 29.6461 42.7573
+S   30.2523 29.6466 42.6894
+S   30.2592 29.5808 42.6333
+S   30.2206 29.4844 42.5954
+S   30.1695 29.4792 42.5608
+S   30.1216 29.5442 42.5037
+S   30.0668 29.6191 42.5157
+S   30.0085 29.6700 42.5655
+S   29.9629 29.7171 42.5952
+S   29.8336 29.6190 42.6148
+S   29.6684 29.5835 42.6630
+S   29.5263 29.6037 42.6335
+S   29.5052 29.5991 42.6078
+S   29.4579 29.6283 42.6421
+S   29.4038 29.6116 42.6295
+S   29.2593 29.6273 42.6757
+S   29.1267 29.5962 42.7600
+S   29.0048 29.5179 42.7288
+S   28.9286 29.5646 42.7625
+S   28.8240 29.6062 42.8203
+S   28.7451 29.5968 42.8634
+S   28.7034 29.5719 42.8657
+S   28.6872 29.5870 42.8446
+S   28.6617 29.5248 42.8148
+S   28.5980 29.5681 42.7201
+S   28.4789 29.5923 42.6125
+S   28.3497 29.5240 42.4844
+S   28.2640 29.4649 42.4433
+S   28.1990 29.4345 42.4705
+S   28.1655 29.3828 42.4177
+S   28.1217 29.3324 42.4230
+S   28.1588 29.2312 42.5786
+S   28.1929 29.0642 42.7099
+S   28.0705 28.8903 42.8591
+S   28.0011 28.6175 43.0046
+S   27.9125 28.4318 43.1723
+S   27.8235 28.2522 43.3303
+S   27.6942 28.0647 43.4194
+S   27.6870 28.0532 43.5066
+S   27.6865 28.0287 43.5850
+S   27.7513 27.9439 43.6704
+S   27.7633 27.9147 43.7490
+S   27.8092 27.9564 43.7789
+S   27.8133 27.8792 43.7196
+S   27.8174 27.7407 43.5692
+S   27.7856 27.5878 43.4696
+S   27.8013 27.5219 43.3040
+S   27.7377 27.5464 43.2534
+S   27.7006 27.4788 43.1723
+S   27.5985 27.4092 43.1440
+S   27.5377 27.3200 43.2002

1lf5_ligand_GppNHp_197_dock1/MCpath36.xyz

@@ -0,0 +1,164 @@
+162
+162
+S   35.1777 35.1372 39.0357
+S   35.1773 35.1490 38.9817
+S   35.1385 35.1601 38.9099
+S   35.0785 35.1861 38.8734
+S   35.0562 35.1757 38.8130
+S   35.0562 35.1762 38.7800
+S   35.0878 35.2029 38.7840
+S   35.0861 35.2157 38.7379
+S   35.1756 35.3079 38.7207
+S   35.3194 35.2986 38.7821
+S   35.2734 35.3954 38.9023
+S   35.2411 35.4718 38.9401
+S   35.1500 35.5360 39.0018
+S   35.1443 35.6122 38.9853
+S   35.1892 35.6136 38.9520
+S   35.2418 35.5800 38.9628
+S   35.2738 35.6305 38.8444
+S   35.2569 35.5672 38.7657
+S   35.2541 35.4544 38.7264
+S   35.3435 35.3924 38.6976
+S   35.4146 35.4093 38.6244
+S   35.3866 35.4516 38.6291
+S   35.3698 35.5903 38.6180
+S   35.4125 35.5616 38.6430
+S   35.4701 35.5165 38.6505
+S   35.5558 35.5317 38.6215
+S   35.5371 35.5816 38.6036
+S   35.4133 35.6588 38.6720
+S   35.3047 35.6556 38.7106
+S   35.3688 35.5700 38.6443
+S   35.4449 35.5598 38.6077
+S   35.4587 35.5514 38.6575
+S   35.5226 35.5791 38.6407
+S   35.5608 35.5922 38.6716
+S   35.5035 35.5124 38.7146
+S   35.5258 35.4440 38.6363
+S   35.5533 35.4855 38.5835
+S   35.4946 35.5683 38.6013
+S   35.4744 35.6436 38.5355
+S   35.5802 35.7269 38.5375
+S   35.6271 35.6744 38.5601
+S   35.5322 35.6723 38.5159
+S   35.5198 35.6010 38.5276
+S   35.5077 35.5748 38.5871
+S   35.4861 35.5315 38.6878
+S   35.4410 35.4616 38.6654
+S   35.3894 35.4758 38.6052
+S   35.4131 35.3341 38.5906
+S   35.4106 35.2403 38.5573
+S   35.3693 35.1967 38.5241
+S   35.3441 35.2053 38.4122
+S   35.4306 35.2319 38.3599
+S   35.6022 35.2204 38.2936
+S   35.7152 35.2509 38.1903
+S   35.8519 35.3478 38.1633
+S   35.9004 35.4354 38.0811
+S   35.8994 35.5497 37.8812
+S   35.9272 35.5858 37.6964
+S   35.9548 35.5555 37.4683
+S   36.0234 35.5119 37.2037
+S   36.0602 35.5235 37.0594
+S   36.0302 35.5043 37.1821
+S   35.9705 35.4884 37.2282
+S   35.8733 35.5185 37.1614
+S   35.7751 35.3974 37.1794
+S   35.6701 35.1908 37.2227
+S   35.6262 35.2247 37.1390
+S   35.7390 35.2435 37.0557
+S   35.7499 35.2631 37.0464
+S   35.6247 35.2733 37.1632
+S   35.5676 35.2812 37.1868
+S   35.5704 35.3195 37.0933
+S   35.5589 35.3886 37.0604
+S   35.5281 35.3919 37.1561
+S   35.5653 35.3390 37.1514
+S   35.4972 35.3417 37.1028
+S   35.5360 35.3816 37.1620
+S   35.6108 35.4651 37.1547
+S   35.6933 35.5307 37.1074
+S   35.6959 35.5799 37.0255
+S   35.6593 35.5437 37.0097
+S   35.6490 35.4147 37.0060
+S   35.7204 35.2914 36.8603
+S   35.8767 35.3221 36.6639
+S   35.9343 35.4347 36.4925
+S   36.0060 35.5239 36.3381
+S   36.1643 35.5625 36.3158
+S   36.3483 35.5649 36.3666
+S   36.4867 35.4877 36.4042
+S   36.6561 35.3731 36.3972
+S   36.7322 35.3277 36.4726
+S   36.8519 35.3531 36.4657
+S   37.0143 35.3413 36.4718
+S   37.1940 35.2645 36.3749
+S   37.3466 35.1923 36.3879
+S   37.4156 35.0975 36.3648
+S   37.4755 34.9346 36.4794
+S   37.3268 34.7218 36.5856
+S   37.2397 34.5227 36.7377
+S   37.1840 34.4946 36.7746
+S   37.2702 34.5068 36.7852
+S   37.3508 34.4534 36.7550
+S   37.4438 34.4371 36.6385
+S   37.4058 34.4210 36.6555
+S   37.3805 34.3298 36.6580
+S   37.3320 34.2537 36.6246
+S   37.3160 34.2396 36.6253
+S   37.2774 34.1939 36.6909
+S   37.2189 34.1307 36.7540
+S   37.3049 34.1568 36.7125
+S   37.2605 34.0825 36.6657
+S   37.1731 34.0226 36.6595
+S   37.2051 33.9146 36.7039
+S   37.1287 33.7298 36.6457
+S   37.1113 33.6116 36.5466
+S   37.0507 33.4482 36.5141
+S   36.9648 33.3925 36.5125
+S   36.8462 33.3742 36.5554
+S   36.8308 33.2978 36.6280
+S   36.8310 33.2042 36.7025
+S   36.8700 33.1903 36.8313
+S   36.8318 33.2092 36.9602
+S   36.6752 33.1440 37.0561
+S   36.4603 33.0566 37.0490
+S   36.3628 33.0612 37.0192
+S   36.2914 33.0897 36.9818
+S   36.2534 33.1185 36.9538
+S   36.2606 33.1235 36.8489
+S   36.2908 33.0450 36.7561
+S   36.2602 33.0256 36.6554
+S   36.3534 33.0658 36.7202
+S   36.3588 33.0874 36.7913
+S   36.3847 33.0177 36.7935
+S   36.4669 32.9010 36.8299
+S   36.4780 32.7607 36.8552
+S   36.4967 32.5366 36.8242
+S   36.4162 32.2812 36.7267
+S   36.3557 32.0475 36.6730
+S   36.3609 31.8861 36.6707
+S   36.3418 31.8100 36.6909
+S   36.3695 31.6545 36.7228
+S   36.4045 31.5334 36.7859
+S   36.4791 31.3901 36.8329
+S   36.4715 31.4255 36.8357
+S   36.4376 31.4287 36.8117
+S   36.3855 31.4349 36.8042
+S   36.3110 31.4346 36.8087
+S   36.2026 31.3818 36.7565
+S   36.1519 31.3734 36.7528
+S   36.2543 31.3452 36.8178
+S   36.2164 31.3061 36.8908
+S   36.0661 31.3709 36.9302
+S   35.9101 31.4568 36.8659
+S   35.7960 31.5514 36.8146
+S   35.6830 31.4891 36.7343
+S   35.5513 31.5042 36.6888
+S   35.3789 31.5166 36.7514
+S   35.1810 31.4633 36.8020
+S   35.0930 31.4873 36.8191
+S   35.1410 31.5453 36.9269
+S   35.1281 31.6168 36.9932
+S   35.1019 31.6952 36.9951

1lf5_ligand_GppNHp_197_dock1/MCpath37.xyz

@@ -0,0 +1,183 @@
+181
+181
+S   34.9180 35.3797 39.2167
+S   34.8693 35.2965 39.1777
+S   34.8933 35.1670 39.0593
+S   34.9259 35.0777 38.9437
+S   34.8568 35.0098 38.8606
+S   34.8569 35.0124 38.8664
+S   34.8990 34.9588 38.8755
+S   34.8173 35.0530 38.8517
+S   34.7997 35.1500 38.8678
+S   34.8316 35.2177 38.9532
+S   34.8224 35.4148 39.0161
+S   34.7374 35.5266 39.1642
+S   34.6959 35.5297 39.3145
+S   34.7684 35.5588 39.4277
+S   34.8133 35.5821 39.4716
+S   34.8445 35.5623 39.4335
+S   34.8519 35.5140 39.3508
+S   34.8306 35.4755 39.3729
+S   34.8148 35.4611 39.4347
+S   34.7631 35.4275 39.5495
+S   34.7334 35.3447 39.6452
+S   34.7307 35.2695 39.6083
+S   34.7924 35.2122 39.5133
+S   34.8059 35.2513 39.4604
+S   34.7759 35.3332 39.4244
+S   34.7910 35.3949 39.3682
+S   34.7908 35.4341 39.3757
+S   34.7411 35.4612 39.3900
+S   34.6736 35.4909 39.3884
+S   34.6926 35.4488 39.4793
+S   34.7466 35.3848 39.5763
+S   34.7989 35.3958 39.7056
+S   34.7830 35.4207 39.7693
+S   34.7748 35.4254 39.7284
+S   34.7630 35.3914 39.7333
+S   34.7344 35.4553 39.6168
+S   34.7312 35.4646 39.5201
+S   34.7451 35.5216 39.4283
+S   34.7151 35.5690 39.4720
+S   34.6189 35.6532 39.4508
+S   34.5611 35.7150 39.4427
+S   34.6341 35.6746 39.5372
+S   34.7771 35.5552 39.6179
+S   34.7405 35.4513 39.5871
+S   34.6920 35.5204 39.5345
+S   34.6810 35.6500 39.5654
+S   34.7194 35.7609 39.6680
+S   34.7542 35.7830 39.6809
+S   34.7549 35.7241 39.7606
+S   34.6686 35.6831 39.8622
+S   34.6415 35.6726 39.8467
+S   34.6194 35.6722 39.8740
+S   34.5414 35.7471 39.9477
+S   34.4906 35.7758 39.9581
+S   34.4670 35.8510 39.8971
+S   34.4614 35.8238 39.7847
+S   34.4022 35.7598 39.6192
+S   34.3738 35.6737 39.5462
+S   34.4845 35.5713 39.5317
+S   34.5604 35.4047 39.5617
+S   34.5587 35.4298 39.5635
+S   34.4877 35.4466 39.5188
+S   34.3708 35.4842 39.4752
+S   34.3761 35.4790 39.5033
+S   34.3503 35.5015 39.4803
+S   34.2883 35.4268 39.5358
+S   34.1931 35.4483 39.6213
+S   34.1880 35.4392 39.6722
+S   34.1530 35.3193 39.5915
+S   34.0640 35.3193 39.4862
+S   33.7878 35.3403 39.3766
+S   33.5049 35.3370 39.4289
+S   33.2960 35.1784 39.5071
+S   33.2215 34.8973 39.4566
+S   33.1502 34.4784 39.4755
+S   33.0784 34.2661 39.3948
+S   32.9491 34.1384 39.4643
+S   32.8236 34.1434 39.5513
+S   32.8997 34.0902 39.6440
+S   32.9991 34.0663 39.7209
+S   33.1168 34.0503 39.7688
+S   33.2248 33.8837 39.8577
+S   33.2376 33.7596 39.8859
+S   33.1873 33.6508 39.9383
+S   33.2285 33.4371 40.0070
+S   33.1919 33.3271 40.1679
+S   33.0750 33.3247 40.2607
+S   33.0395 33.2846 40.3701
+S   33.0111 33.3181 40.4924
+S   32.9786 33.4325 40.6189
+S   32.9181 33.5662 40.6515
+S   32.8596 33.6161 40.6771
+S   32.8033 33.6982 40.6513
+S   32.6916 33.6813 40.7171
+S   32.5569 33.6707 40.7418
+S   32.4581 33.7028 40.7668
+S   32.4009 33.7036 40.7970
+S   32.3752 33.6578 40.8030
+S   32.3366 33.6980 40.8383
+S   32.3857 33.7139 40.9756
+S   32.5750 33.6696 40.9356
+S   32.5746 33.5899 40.9108
+S   32.5582 33.6780 40.7549
+S   32.5321 33.7565 40.7150
+S   32.5073 33.7378 40.7954
+S   32.4919 33.6505 40.8236
+S   32.5485 33.5291 40.8246
+S   32.5104 33.5200 40.7657
+S   32.4686 33.5033 40.7492
+S   32.4305 33.5195 40.7183
+S   32.3866 33.5362 40.7071
+S   32.4108 33.5592 40.6705
+S   32.5068 33.6258 40.6445
+S   32.5553 33.6625 40.6314
+S   32.5713 33.6884 40.5749
+S   32.6387 33.6371 40.5022
+S   32.6438 33.5563 40.5065
+S   32.6358 33.5193 40.5551
+S   32.6739 33.4963 40.6640
+S   32.6048 33.4673 40.6787
+S   32.5121 33.3351 40.6482
+S   32.4560 33.2125 40.6123
+S   32.4349 33.1422 40.6093
+S   32.4744 33.0127 40.6787
+S   32.5396 32.7822 40.7101
+S   32.6136 32.5132 40.7553
+S   32.6685 32.2204 40.7130
+S   32.8163 32.0285 40.6039
+S   32.9152 31.9141 40.4157
+S   33.0405 31.9287 40.2699
+S   33.0759 32.0334 40.2993
+S   33.1059 32.0998 40.4038
+S   33.0447 32.1522 40.4797
+S   33.0123 32.0145 40.5075
+S   32.8814 31.8866 40.5881
+S   32.7532 31.7971 40.6053
+S   32.6960 31.6997 40.6189
+S   32.6883 31.6980 40.5548
+S   32.7455 31.6835 40.5177
+S   32.7515 31.5955 40.4616
+S   32.6943 31.5096 40.3992
+S   32.7029 31.5137 40.3860
+S   32.7424 31.4806 40.4116
+S   32.7603 31.4945 40.4675
+S   32.7135 31.4706 40.4887
+S   32.6210 31.4221 40.5330
+S   32.5675 31.2659 40.5762
+S   32.5314 31.1291 40.5996
+S   32.5166 30.9792 40.6778
+S   32.5182 30.8698 40.7927
+S   32.5674 30.7715 40.7696
+S   32.6782 30.7104 40.7202
+S   32.6822 30.5830 40.6428
+S   32.6323 30.5225 40.6299
+S   32.5998 30.4314 40.5621
+S   32.5968 30.3241 40.5184
+S   32.5643 30.2668 40.3881
+S   32.4181 30.2765 40.2537
+S   32.3525 30.2803 40.1797
+S   32.3284 30.1910 40.1670
+S   32.3195 30.1227 40.1680
+S   32.4079 30.0475 40.1299
+S   32.3934 30.0304 40.0465
+S   32.4921 30.0798 39.9624
+S   32.6332 30.0684 39.9274
+S   32.6678 30.0478 39.8676
+S   32.6219 30.1318 39.8925
+S   32.6105 30.1462 39.8907
+S   32.5472 30.0902 39.8936
+S   32.5283 30.0952 39.8431
+S   32.5204 30.0513 39.8232
+S   32.5291 30.0152 39.8026
+S   32.5102 30.0165 39.8064
+S   32.6164 29.9214 39.8355
+S   32.7647 29.8494 39.8153
+S   32.8870 29.8217 39.7563
+S   33.0196 29.7306 39.6162
+S   33.0617 29.6154 39.4597
+S   33.1285 29.5288 39.2904
+S   33.0815 29.3589 39.1718
+S   33.0931 29.2025 39.0886

1lf5_ligand_GppNHp_197_dock1/MCpath38.xyz

@@ -0,0 +1,241 @@
+239
+239
+S   35.2388 35.4308 39.3085
+S   35.2651 35.4165 39.2312
+S   35.2796 35.3818 39.1569
+S   35.2779 35.3685 39.0988
+S   35.1931 35.4018 39.0239
+S   35.1555 35.3815 39.0419
+S   35.1418 35.3631 39.0807
+S   35.1373 35.3141 39.1434
+S   35.1347 35.3104 39.1814
+S   35.1672 35.3940 39.1685
+S   35.2841 35.5495 39.2463
+S   35.3824 35.6822 39.3248
+S   35.4444 35.6454 39.3113
+S   35.3916 35.6414 39.3423
+S   35.2886 35.6869 39.3375
+S   35.1549 35.7502 39.3820
+S   35.2159 35.6617 39.3658
+S   35.2474 35.5547 39.3494
+S   35.2703 35.5284 39.4155
+S   35.3977 35.5891 39.4861
+S   35.3639 35.5175 39.4758
+S   35.2955 35.4737 39.4567
+S   35.3468 35.4785 39.4225
+S   35.4114 35.5260 39.3219
+S   35.4073 35.5834 39.1995
+S   35.3734 35.6865 39.1016
+S   35.3420 35.6935 38.9132
+S   35.3064 35.6303 38.7001
+S   35.2400 35.5093 38.5660
+S   35.2143 35.4108 38.4485
+S   35.1975 35.3958 38.3503
+S   35.2081 35.4413 38.2485
+S   35.2442 35.4971 38.2413
+S   35.2504 35.5299 38.2940
+S   35.2283 35.5493 38.2745
+S   35.2792 35.5186 38.2482
+S   35.2975 35.5039 38.2172
+S   35.3046 35.4790 38.2196
+S   35.3534 35.4299 38.2179
+S   35.4081 35.4272 38.2894
+S   35.3359 35.4301 38.3696
+S   35.2922 35.4198 38.3739
+S   35.3057 35.4132 38.3111
+S   35.3742 35.4307 38.2782
+S   35.4225 35.4941 38.3176
+S   35.5357 35.4854 38.2548
+S   35.6251 35.4955 38.2060
+S   35.6156 35.5282 38.2185
+S   35.6211 35.5512 38.2095
+S   35.6330 35.5909 38.2635
+S   35.6128 35.5123 38.2922
+S   35.6669 35.5052 38.2370
+S   35.6140 35.4621 38.1778
+S   35.5388 35.4752 38.2122
+S   35.4392 35.4575 38.2994
+S   35.4269 35.5518 38.3765
+S   35.5087 35.5886 38.4681
+S   35.6211 35.6041 38.5514
+S   35.6070 35.5610 38.5788
+S   35.6323 35.4213 38.5226
+S   35.6838 35.3509 38.5076
+S   35.7630 35.3560 38.5453
+S   35.8574 35.3246 38.5280
+S   35.8726 35.3338 38.4990
+S   35.8161 35.3903 38.5186
+S   35.7966 35.4268 38.4817
+S   35.7880 35.4369 38.3930
+S   35.7534 35.4627 38.4175
+S   35.7678 35.5864 38.4881
+S   35.7782 35.5916 38.4142
+S   35.6732 35.5934 38.3085
+S   35.6803 35.6553 38.3338
+S   35.6728 35.5960 38.3307
+S   35.5831 35.5798 38.2760
+S   35.5109 35.6331 38.2778
+S   35.6294 35.5320 38.3192
+S   35.7073 35.3875 38.3546
+S   35.7686 35.2959 38.3168
+S   35.7577 35.3653 38.2698
+S   35.6905 35.4530 38.3343
+S   35.5577 35.4466 38.4270
+S   35.4494 35.4628 38.5163
+S   35.4971 35.3744 38.4657
+S   35.5371 35.3133 38.3834
+S   35.5048 35.3148 38.3579
+S   35.4609 35.4393 38.3496
+S   35.4814 35.5942 38.2734
+S   35.5024 35.6271 38.1884
+S   35.5125 35.5539 38.1567
+S   35.5373 35.4040 38.1323
+S   35.4917 35.2844 37.8829
+S   35.4278 35.2716 37.4455
+S   35.4646 35.3504 36.9527
+S   35.5317 35.3500 36.7089
+S   35.6148 35.3460 36.6166
+S   35.6976 35.3595 36.5528
+S   35.6209 35.3484 36.5230
+S   35.5508 35.2437 36.5543
+S   35.5824 35.1755 36.5239
+S   35.6323 35.1966 36.4642
+S   35.5916 35.2148 36.3636
+S   35.4738 35.2715 36.3744
+S   35.3637 35.2796 36.3907
+S   35.2472 35.3120 36.3731
+S   35.2693 35.3244 36.3669
+S   35.3200 35.3284 36.3392
+S   35.3274 35.2453 36.2991
+S   35.3833 35.2369 36.2726
+S   35.4663 35.2574 36.2959
+S   35.4604 35.2955 36.4268
+S   35.4119 35.3452 36.5260
+S   35.4632 35.3619 36.4947
+S   35.4640 35.4266 36.3827
+S   35.5505 35.4696 36.2626
+S   35.6124 35.4156 36.1127
+S   35.6810 35.4194 36.0167
+S   35.7085 35.3501 35.9710
+S   35.7813 35.3844 36.0138
+S   35.8222 35.4701 36.0686
+S   35.9094 35.5027 36.2548
+S   35.9085 35.4763 36.3490
+S   35.8175 35.3659 36.2232
+S   35.7924 35.3428 36.0439
+S   35.7211 35.3416 36.0309
+S   35.5810 35.3890 36.0897
+S   35.4936 35.4672 36.1046
+S   35.4204 35.5924 36.0369
+S   35.4386 35.7005 36.0032
+S   35.5367 35.7084 35.8952
+S   35.5938 35.6936 35.7666
+S   35.5910 35.7180 35.6277
+S   35.5136 35.6592 35.4128
+S   35.4927 35.5158 35.3547
+S   35.5993 35.3626 35.2505
+S   35.7777 35.3809 35.1624
+S   35.8569 35.3525 35.2177
+S   35.9268 35.4010 35.3785
+S   35.9514 35.4796 35.4351
+S   35.8714 35.4973 35.4291
+S   35.8922 35.4970 35.3998
+S   35.8405 35.4981 35.2866
+S   35.7386 35.4557 35.1357
+S   35.6409 35.4899 35.0498
+S   35.5756 35.3937 34.9761
+S   35.5232 35.3065 34.9227
+S   35.5704 35.3754 34.9390
+S   35.5912 35.4442 34.9418
+S   35.5858 35.4998 34.8794
+S   35.6428 35.4707 34.9469
+S   35.6955 35.4490 35.0055
+S   35.6674 35.4485 34.9295
+S   35.6472 35.4909 34.9878
+S   35.5354 35.4479 34.9995
+S   35.4278 35.3759 34.8972
+S   35.4132 35.2776 34.8261
+S   35.4347 35.2882 34.8425
+S   35.5133 35.2344 34.8169
+S   35.6377 35.2589 34.7653
+S   35.7195 35.3974 34.6495
+S   35.7719 35.4778 34.5358
+S   35.7455 35.5213 34.3614
+S   35.7022 35.5548 34.2889
+S   35.7359 35.5614 34.2693
+S   35.6711 35.5886 34.1918
+S   35.6160 35.5021 34.2157
+S   35.5232 35.3526 34.2001
+S   35.3911 35.3389 34.1596
+S   35.3635 35.3130 34.1449
+S   35.4422 35.2501 34.0603
+S   35.5159 35.1882 33.9849
+S   35.5327 35.2474 33.9854
+S   35.6146 35.3153 34.0120
+S   35.7995 35.3091 33.9641
+S   35.9074 35.3152 33.9007
+S   35.8657 35.3345 33.8734
+S   35.8798 35.2661 33.8123
+S   35.8178 35.1801 33.7054
+S   35.8288 35.0687 33.7107
+S   35.8077 34.8931 33.8201
+S   35.7616 34.5943 33.8394
+S   35.8594 34.3204 33.8434
+S   35.9408 33.9841 33.9087
+S   35.9420 33.7529 34.1473
+S   36.0479 33.3999 34.3804
+S   36.0851 33.2023 34.5678
+S   36.0048 33.1086 34.7676
+S   36.0263 33.0812 35.0224
+S   36.0733 33.1363 35.2756
+S   36.1334 33.1734 35.4153
+S   36.1499 33.2217 35.5022
+S   36.0438 33.1344 35.5575
+S   35.9462 33.1299 35.6760
+S   35.9483 33.1571 35.7814
+S   36.0031 33.1030 35.8505
+S   35.9944 33.0746 35.8630
+S   35.9222 32.9647 35.9867
+S   35.8993 32.9319 36.0374
+S   35.8940 32.8650 35.9724
+S   35.8713 32.8251 35.8855
+S   35.8498 32.7766 35.7531
+S   35.7904 32.7589 35.6009
+S   35.7573 32.7150 35.4798
+S   35.7765 32.6872 35.5648
+S   35.8352 32.6634 35.6720
+S   35.9242 32.5846 35.6921
+S   35.9064 32.5710 35.6967
+S   35.9001 32.6430 35.6960
+S   35.9767 32.6687 35.7148
+S   36.0204 32.7060 35.7968
+S   36.0238 32.6621 35.7267
+S   36.0483 32.5799 35.6270
+S   36.2231 32.5091 35.5728
+S   36.4664 32.4623 35.4838
+S   36.6752 32.3580 35.4513
+S   36.8653 32.3000 35.4318
+S   36.9986 32.2117 35.4360
+S   37.0954 32.0863 35.3923
+S   37.1596 31.9825 35.4206
+S   37.1870 31.9795 35.4526
+S   37.1614 32.0325 35.5141
+S   37.0825 32.0963 35.5491
+S   37.0441 32.0644 35.6198
+S   37.0376 31.9764 35.7088
+S   37.0258 31.8702 35.7181
+S   37.0343 31.7926 35.6945
+S   37.0160 31.7701 35.6823
+S   37.0118 31.6991 35.6384
+S   37.0228 31.4904 35.6183
+S   37.0371 31.2429 35.6705
+S   37.0568 30.9548 35.6781
+S   37.0091 30.7603 35.6267
+S   36.9302 30.6154 35.5528
+S   36.9356 30.4692 35.5361
+S   37.0240 30.3964 35.5888
+S   37.0774 30.3391 35.5354
+S   37.1966 30.2307 35.4692
+S   37.2397 30.2027 35.4743
+S   37.1513 30.1379 35.5064
+S   37.0540 30.0635 35.4981

1lf5_ligand_GppNHp_197_dock1/MCpath39.xyz

@@ -0,0 +1,174 @@
+172
+172
+S   35.2423 35.3537 38.9308
+S   35.2535 35.2571 38.9787
+S   35.2009 35.1617 39.0684
+S   35.1943 35.0332 39.1585
+S   35.1612 34.9564 39.2952
+S   35.1137 34.9181 39.3251
+S   35.1395 34.9422 39.2873
+S   35.1848 35.0100 39.2227
+S   35.2723 35.0363 39.0601
+S   35.2768 35.0997 38.8831
+S   35.3074 35.1293 38.7970
+S   35.3343 35.0981 38.8051
+S   35.2899 35.0039 38.7636
+S   35.1895 34.9756 38.7342
+S   35.1282 34.9356 38.6745
+S   34.9813 34.8759 38.5851
+S   34.8588 34.9265 38.5415
+S   34.7338 34.9122 38.5904
+S   34.6648 34.9215 38.7117
+S   34.5908 34.8264 38.7902
+S   34.5790 34.7635 38.8672
+S   34.5324 34.8525 38.9753
+S   34.4490 34.8856 38.9155
+S   34.4526 34.8641 38.7836
+S   34.4329 34.8279 38.7356
+S   34.4541 34.6915 38.7303
+S   34.4295 34.6504 38.7110
+S   34.4102 34.6997 38.6487
+S   34.3976 34.6538 38.6971
+S   34.4470 34.5425 38.7223
+S   34.4887 34.4536 38.7526
+S   34.4547 34.4378 38.7793
+S   34.3425 34.5299 38.7748
+S   34.2912 34.5767 38.7666
+S   34.3125 34.4639 38.7347
+S   34.2666 34.3986 38.7715
+S   34.3398 34.3518 38.7955
+S   34.4044 34.3805 38.7474
+S   34.4411 34.4569 38.7495
+S   34.3656 34.5095 38.6481
+S   34.2705 34.5021 38.5546
+S   34.3260 34.5340 38.5160
+S   34.3784 34.5209 38.4370
+S   34.3313 34.3548 38.2990
+S   34.2697 34.2296 38.2333
+S   34.3257 34.1182 38.2825
+S   34.3391 33.9920 38.4131
+S   34.3720 33.8989 38.5216
+S   34.4330 33.8524 38.7191
+S   34.5012 33.7143 38.9039
+S   34.5887 33.5144 38.8382
+S   34.7763 33.3398 38.8023
+S   34.8806 33.2968 38.8169
+S   34.8894 33.1572 38.8061
+S   35.0107 32.9900 38.8478
+S   35.0353 32.8537 38.8361
+S   35.0570 32.8328 38.7869
+S   35.0783 32.8752 38.8267
+S   35.1074 32.9692 38.7788
+S   35.0292 33.1066 38.8081
+S   34.9339 33.2303 38.8665
+S   34.7837 33.2004 38.8926
+S   34.5866 33.1288 38.9872
+S   34.4912 33.0531 39.0590
+S   34.4353 32.9552 39.1450
+S   34.3704 32.8347 39.3708
+S   34.3725 32.7632 39.5665
+S   34.3356 32.7913 39.7410
+S   34.2723 32.8647 39.7880
+S   34.2076 32.9152 39.9050
+S   34.2114 32.9420 40.0156
+S   34.2609 32.8601 40.0667
+S   34.3020 32.7229 40.0991
+S   34.4329 32.7657 40.1984
+S   34.5379 32.8881 40.3570
+S   34.6374 32.9712 40.4872
+S   34.6204 33.0803 40.5916
+S   34.6103 33.1565 40.6056
+S   34.6507 33.2028 40.6733
+S   34.7550 33.2411 40.7632
+S   34.8056 33.3109 40.7624
+S   34.7389 33.4535 40.7569
+S   34.7079 33.5501 40.8387
+S   34.6614 33.5133 40.8707
+S   34.5379 33.4160 40.8515
+S   34.4432 33.3974 40.9213
+S   34.4662 33.3481 40.9812
+S   34.4855 33.3379 41.0768
+S   34.4911 33.4219 41.1194
+S   34.5152 33.4907 41.0664
+S   34.5202 33.5021 41.1694
+S   34.4759 33.5292 41.2043
+S   34.4763 33.5263 41.2349
+S   34.5181 33.5689 41.1705
+S   34.5464 33.6224 41.1568
+S   34.5230 33.6969 41.0967
+S   34.4521 33.7066 41.1688
+S   34.4018 33.7232 41.3002
+S   34.2459 33.8046 41.4014
+S   34.1106 33.8540 41.5139
+S   33.9367 33.8613 41.6181
+S   33.6193 33.8639 41.6992
+S   33.3181 33.8839 41.7371
+S   33.1562 33.8377 41.7201
+S   33.1550 33.8214 41.6476
+S   33.1008 33.7708 41.4212
+S   33.0637 33.7319 41.3027
+S   33.1631 33.7236 41.1779
+S   33.1775 33.7670 41.1312
+S   33.1353 33.8814 41.1991
+S   33.0823 33.8997 41.2423
+S   33.0571 33.8172 41.2187
+S   33.0172 33.7467 41.2518
+S   32.9878 33.7295 41.2773
+S   33.0288 33.7048 41.3137
+S   32.9849 33.7394 41.1474
+S   32.9054 33.7148 41.0747
+S   32.8228 33.7468 41.0332
+S   32.7755 33.7026 40.8927
+S   32.7145 33.6503 40.8710
+S   32.6818 33.6004 40.8788
+S   32.5691 33.5111 40.9045
+S   32.5021 33.4948 40.8347
+S   32.5451 33.5269 40.7835
+S   32.5779 33.6161 40.8320
+S   32.5628 33.6806 40.8556
+S   32.4823 33.6901 40.8182
+S   32.4357 33.7561 40.6988
+S   32.4542 33.8161 40.5601
+S   32.4178 33.8004 40.4428
+S   32.4202 33.6142 40.3325
+S   32.4811 33.5747 40.2594
+S   32.4626 33.5442 40.2609
+S   32.4585 33.4724 40.2596
+S   32.3938 33.4192 40.1867
+S   32.3673 33.3958 40.1723
+S   32.3329 33.3387 40.0726
+S   32.3145 33.2849 39.9445
+S   32.2990 33.4292 39.8520
+S   32.2908 33.5575 39.8005
+S   32.2722 33.5862 39.6650
+S   32.3018 33.5686 39.6221
+S   32.3428 33.5969 39.5721
+S   32.4146 33.6512 39.5114
+S   32.4294 33.7953 39.4158
+S   32.4506 33.8611 39.3865
+S   32.3977 33.8179 39.3510
+S   32.3992 33.8090 39.2835
+S   32.3491 33.7711 39.2909
+S   32.4227 33.6890 39.3749
+S   32.4556 33.6295 39.3855
+S   32.5013 33.5564 39.4220
+S   32.5129 33.5043 39.5351
+S   32.4871 33.5271 39.4978
+S   32.5283 33.5880 39.3495
+S   32.5485 33.6321 39.2108
+S   32.6129 33.5731 39.0828
+S   32.6797 33.5637 38.9653
+S   32.6589 33.5276 38.9017
+S   32.7069 33.4780 38.7948
+S   32.7486 33.5069 38.7605
+S   32.7438 33.5387 38.7247
+S   32.6902 33.5206 38.6100
+S   32.6645 33.4213 38.5252
+S   32.7933 33.2894 38.4133
+S   32.8262 33.1333 38.3614
+S   32.7388 32.9417 38.3483
+S   32.6688 32.7777 38.3791
+S   32.7147 32.6678 38.4292
+S   32.7440 32.5208 38.5219
+S   32.7909 32.3662 38.6346
+S   32.7597 32.1968 38.7422

1lf5_ligand_GppNHp_197_dock1/MCpath4.xyz

@@ -0,0 +1,168 @@
+166
+166
+S   35.0523 35.0824 39.0236
+S   35.0501 35.0837 38.9802
+S   35.0050 35.1858 38.8944
+S   34.9344 35.2578 38.8336
+S   34.9724 35.2846 38.8482
+S   35.0237 35.3186 38.8800
+S   35.1307 35.4056 38.8765
+S   35.1771 35.4230 38.8648
+S   35.2848 35.3756 38.8123
+S   35.3069 35.3592 38.6729
+S   35.3073 35.3795 38.6924
+S   35.3316 35.3600 38.7309
+S   35.3449 35.3597 38.7250
+S   35.4118 35.4126 38.7025
+S   35.4170 35.4703 38.6829
+S   35.4107 35.4773 38.6674
+S   35.4323 35.5014 38.7379
+S   35.5335 35.5352 38.7658
+S   35.5295 35.5153 38.7519
+S   35.4953 35.4412 38.7290
+S   35.4491 35.3835 38.6289
+S   35.4445 35.4697 38.5174
+S   35.4163 35.5636 38.4511
+S   35.4090 35.5945 38.5208
+S   35.3454 35.5277 38.6070
+S   35.3057 35.4312 38.6881
+S   35.3031 35.3926 38.6596
+S   35.3171 35.4954 38.5948
+S   35.4450 35.4922 38.6356
+S   35.4605 35.5130 38.6428
+S   35.4650 35.6923 38.5611
+S   35.5381 35.7940 38.4946
+S   35.6266 35.8464 38.4985
+S   35.7270 35.7735 38.5828
+S   35.6891 35.6133 38.6466
+S   35.5488 35.4556 38.6608
+S   35.5657 35.4240 38.6314
+S   35.5253 35.3763 38.5598
+S   35.4287 35.3468 38.5229
+S   35.3842 35.3450 38.5015
+S   35.3631 35.4015 38.4596
+S   35.4391 35.4370 38.3599
+S   35.5185 35.5296 38.3842
+S   35.5495 35.5742 38.4478
+S   35.6892 35.5558 38.4486
+S   35.7058 35.4738 38.3965
+S   35.7175 35.5396 38.3025
+S   35.6743 35.5505 38.3037
+S   35.6384 35.5468 38.3273
+S   35.5839 35.4888 38.3287
+S   35.5168 35.4534 38.3924
+S   35.4936 35.4764 38.3317
+S   35.4538 35.4640 38.2895
+S   35.4425 35.5320 38.2900
+S   35.4900 35.5572 38.3083
+S   35.5191 35.5608 38.2357
+S   35.5301 35.5807 38.2082
+S   35.6323 35.6240 38.1597
+S   35.7219 35.6576 38.0404
+S   35.6706 35.6350 37.7768
+S   35.6103 35.5578 37.4345
+S   35.6199 35.4542 37.1417
+S   35.6295 35.4088 37.1004
+S   35.5601 35.4103 37.1669
+S   35.4849 35.4475 37.1460
+S   35.4634 35.4161 37.1792
+S   35.4917 35.3165 37.1225
+S   35.4855 35.1991 37.1710
+S   35.4458 35.0787 37.1383
+S   35.4669 34.9654 37.1663
+S   35.4847 34.7750 37.1433
+S   35.5023 34.6670 37.1597
+S   35.6470 34.4280 37.1668
+S   35.6902 34.1991 37.1860
+S   35.6914 33.9444 37.2682
+S   35.7945 33.8102 37.3727
+S   35.7909 33.7182 37.5563
+S   35.7761 33.6906 37.6707
+S   35.7273 33.7003 37.7581
+S   35.6713 33.7789 37.8612
+S   35.6950 33.7932 38.0134
+S   35.7479 33.8710 38.0538
+S   35.7094 33.9163 38.0594
+S   35.6658 33.9567 38.0732
+S   35.5668 34.0155 38.1385
+S   35.5870 33.9936 38.2940
+S   35.6446 33.8802 38.4372
+S   35.6681 33.8192 38.6020
+S   35.5343 33.7256 38.7475
+S   35.4263 33.7032 38.7607
+S   35.3300 33.7155 38.8305
+S   35.2493 33.6519 38.9337
+S   35.2251 33.5205 38.9821
+S   35.2362 33.3274 39.0159
+S   35.2626 33.1424 38.9667
+S   35.2370 33.0123 38.8970
+S   35.2473 32.9491 38.8564
+S   35.2142 32.9528 38.8897
+S   35.2191 33.0045 38.8829
+S   35.2484 33.0575 38.8208
+S   35.3232 33.1399 38.7347
+S   35.3905 33.1150 38.7669
+S   35.3832 33.1744 38.7981
+S   35.3638 33.1884 38.7877
+S   35.2941 33.0988 38.6921
+S   35.2979 32.9397 38.5265
+S   35.3742 32.8678 38.4813
+S   35.4496 32.8864 38.4102
+S   35.4542 32.8779 38.4085
+S   35.4279 32.8640 38.4702
+S   35.5170 32.9002 38.5702
+S   35.5464 32.8008 38.6554
+S   35.4178 32.5998 38.5685
+S   35.2764 32.4090 38.5036
+S   35.2067 32.2716 38.4661
+S   35.2542 32.1892 38.4600
+S   35.3218 32.0492 38.4720
+S   35.3391 31.8958 38.4297
+S   35.2833 31.7706 38.3865
+S   35.2745 31.6401 38.4528
+S   35.3514 31.5821 38.5698
+S   35.3728 31.5384 38.5860
+S   35.3479 31.5209 38.5052
+S   35.2737 31.5764 38.5344
+S   35.3211 31.5311 38.5286
+S   35.3327 31.4879 38.5644
+S   35.2776 31.3624 38.5830
+S   35.2164 31.2908 38.5990
+S   35.2928 31.1866 38.5995
+S   35.3106 31.2202 38.6224
+S   35.2726 31.2185 38.6715
+S   35.1490 31.0964 38.5801
+S   35.1665 31.0683 38.5423
+S   35.2148 31.0729 38.5500
+S   35.2312 30.9856 38.5679
+S   35.2528 30.8797 38.4756
+S   35.2776 30.9270 38.4643
+S   35.2827 30.8361 38.3834
+S   35.2293 30.7338 38.2937
+S   35.1525 30.5689 38.2731
+S   35.1578 30.4583 38.2217
+S   35.1762 30.3100 38.2570
+S   35.1845 30.2873 38.3807
+S   35.2382 30.2243 38.5346
+S   35.2929 30.1387 38.6990
+S   35.3761 30.1724 38.8120
+S   35.4596 30.0922 38.8572
+S   35.4613 30.0498 38.8946
+S   35.4018 29.9293 38.9140
+S   35.3039 29.8130 38.8329
+S   35.2946 29.7228 38.8544
+S   35.2918 29.5770 38.7538
+S   35.2778 29.5473 38.7936
+S   35.2892 29.4951 38.8256
+S   35.3249 29.4182 38.7978
+S   35.3866 29.2923 38.8822
+S   35.4525 29.1408 39.0116
+S   35.4988 29.0436 39.0889
+S   35.4315 29.0522 39.1597
+S   35.3650 29.1633 39.1877
+S   35.4599 29.1453 39.1710
+S   35.4268 29.1102 39.1218
+S   35.3536 29.1254 39.0466
+S   35.2228 29.1774 39.0359
+S   35.1502 29.0991 39.0331
+S   35.1118 29.0510 39.0347

1lf5_ligand_GppNHp_197_dock1/MCpath40.xyz

@@ -0,0 +1,136 @@
+134
+134
+S   35.0988 35.2204 38.9605
+S   35.0930 35.1554 38.9278
+S   35.1167 35.1119 38.8522
+S   35.1493 35.0850 38.7818
+S   35.1674 35.0781 38.7529
+S   35.2707 35.0664 38.7496
+S   35.3161 35.0335 38.7567
+S   35.3336 35.0877 38.7783
+S   35.3326 35.0666 38.7637
+S   35.3025 35.1275 38.7393
+S   35.3025 35.2251 38.7678
+S   35.3581 35.3414 38.8109
+S   35.4277 35.3832 38.8912
+S   35.5136 35.3397 39.0336
+S   35.5097 35.4247 39.0193
+S   35.4333 35.4336 38.9318
+S   35.3965 35.4450 38.7726
+S   35.3980 35.4012 38.6932
+S   35.3721 35.4045 38.6626
+S   35.3799 35.3748 38.6307
+S   35.3412 35.3720 38.6753
+S   35.4045 35.4290 38.6768
+S   35.4644 35.4840 38.6607
+S   35.4653 35.4571 38.6429
+S   35.3809 35.4489 38.6764
+S   35.3499 35.4976 38.6699
+S   35.4524 35.5944 38.5973
+S   35.5083 35.7000 38.5809
+S   35.5207 35.7404 38.5924
+S   35.5040 35.7279 38.5161
+S   35.4032 35.8469 38.4326
+S   35.4082 35.8857 38.3653
+S   35.4550 35.8735 38.3048
+S   35.3701 35.8927 38.2843
+S   35.2475 35.9245 38.3869
+S   35.2861 35.8833 38.4691
+S   35.2435 35.7862 38.5494
+S   35.2446 35.6850 38.6591
+S   35.2337 35.5159 38.7064
+S   35.1984 35.4315 38.6873
+S   35.1814 35.4863 38.5921
+S   35.2491 35.5505 38.5516
+S   35.3362 35.6043 38.5034
+S   35.3530 35.7202 38.4025
+S   35.2697 35.8344 38.3248
+S   35.1301 35.8393 38.2226
+S   34.9647 35.8190 38.2586
+S   34.6739 35.8561 38.3388
+S   34.3555 35.7803 38.3404
+S   34.1083 35.6208 38.4269
+S   33.9589 35.3944 38.5142
+S   33.8895 35.2754 38.6617
+S   33.8613 35.1726 38.7205
+S   33.8135 35.0943 38.7644
+S   33.7555 34.9850 38.7884
+S   33.6316 34.7360 38.7318
+S   33.5647 34.5068 38.7434
+S   33.5384 34.3688 38.8265
+S   33.5093 34.2294 38.8150
+S   33.5254 34.0548 38.8017
+S   33.5383 33.9412 38.7845
+S   33.5718 33.9126 38.8351
+S   33.6375 33.9119 38.8502
+S   33.7382 33.9226 38.9254
+S   33.8801 34.0689 38.9217
+S   33.9044 34.1554 38.9071
+S   33.8534 34.1420 38.7493
+S   33.8339 34.1051 38.7019
+S   33.8359 34.0372 38.7664
+S   33.8248 33.9024 38.7063
+S   33.7532 33.7646 38.5895
+S   33.6295 33.6613 38.5474
+S   33.5864 33.5669 38.6134
+S   33.4657 33.4998 38.6379
+S   33.4129 33.4228 38.6593
+S   33.4773 33.3537 38.6072
+S   33.4400 33.2810 38.6153
+S   33.3639 33.2089 38.6037
+S   33.4414 33.1484 38.6740
+S   33.5101 33.0938 38.6762
+S   33.5735 33.0174 38.5553
+S   33.6334 32.9345 38.5428
+S   33.7984 32.8934 38.5296
+S   33.9245 32.9054 38.5480
+S   33.9761 32.9067 38.5705
+S   33.9740 32.7986 38.6270
+S   34.0106 32.6687 38.6094
+S   34.0317 32.5463 38.5451
+S   33.9995 32.4442 38.5455
+S   33.9345 32.3552 38.5335
+S   33.8952 32.2070 38.4906
+S   33.8726 32.0981 38.5947
+S   33.8892 32.1227 38.7131
+S   33.8628 32.1449 38.8106
+S   33.7720 32.2074 38.7789
+S   33.8169 32.3037 38.7361
+S   33.8670 32.3951 38.7560
+S   33.8815 32.4556 38.7157
+S   33.8791 32.5257 38.6990
+S   33.8652 32.4986 38.6677
+S   33.8484 32.5445 38.6041
+S   33.7804 32.5721 38.6037
+S   33.6953 32.4741 38.5734
+S   33.6040 32.2452 38.5368
+S   33.5539 32.0000 38.5872
+S   33.5669 31.7961 38.6212
+S   33.5519 31.5806 38.5673
+S   33.5111 31.3648 38.5910
+S   33.5581 31.2298 38.6409
+S   33.5851 31.0969 38.7553
+S   33.6543 30.9151 38.8686
+S   33.7358 30.8386 38.8920
+S   33.7541 30.8088 38.8525
+S   33.7605 30.7895 38.8617
+S   33.8211 30.7411 38.8853
+S   33.8446 30.7263 38.9071
+S   33.8367 30.7004 38.8407
+S   33.8038 30.7305 38.8046
+S   33.8291 30.6804 38.7694
+S   33.7719 30.6663 38.6381
+S   33.6643 30.7488 38.6413
+S   33.6182 30.7928 38.6534
+S   33.5665 30.8055 38.6218
+S   33.5525 30.8360 38.6454
+S   33.5170 30.9642 38.6488
+S   33.5021 30.9843 38.6539
+S   33.4600 30.9358 38.7250
+S   33.4253 30.8996 38.7694
+S   33.4546 30.8439 38.7422
+S   33.4245 30.7978 38.7448
+S   33.4362 30.7248 38.7570
+S   33.5091 30.5862 38.6786
+S   33.5850 30.4403 38.6043
+S   33.7079 30.2749 38.4730

1lf5_ligand_GppNHp_197_dock1/MCpath41.xyz

@@ -0,0 +1,148 @@
+146
+146
+S   35.1912 35.0509 39.1098
+S   35.1568 35.1099 39.0484
+S   35.1074 35.0861 38.9279
+S   35.0524 35.0651 38.8451
+S   35.0148 35.0254 38.8317
+S   34.9751 35.0638 38.8031
+S   34.8914 35.0454 38.8660
+S   34.8926 34.9568 38.9463
+S   34.8526 34.8688 38.9880
+S   34.7711 34.7786 38.9768
+S   34.7060 34.7934 38.8900
+S   34.7122 34.8240 38.8094
+S   34.7385 34.8176 38.7614
+S   34.7477 34.8502 38.6894
+S   34.7621 34.8201 38.7365
+S   34.7751 34.8211 38.7283
+S   34.7332 34.7968 38.6696
+S   34.7578 34.7651 38.6539
+S   34.7637 34.7917 38.5840
+S   34.7663 34.8072 38.5704
+S   34.8057 34.7826 38.6237
+S   34.7907 34.7248 38.6050
+S   34.7573 34.6481 38.5247
+S   34.8000 34.5580 38.5773
+S   34.8042 34.6021 38.6133
+S   34.7656 34.6773 38.5805
+S   34.7286 34.7252 38.5992
+S   34.7012 34.7776 38.6660
+S   34.7256 34.8173 38.7393
+S   34.7629 34.8399 38.7468
+S   34.6909 34.7662 38.8058
+S   34.6450 34.7662 38.8134
+S   34.5999 34.6796 38.7355
+S   34.4891 34.6677 38.6517
+S   34.5364 34.6721 38.6801
+S   34.4964 34.6456 38.7633
+S   34.4570 34.6226 38.8197
+S   34.4948 34.5545 38.8082
+S   34.4280 34.5046 38.7719
+S   34.3756 34.4204 38.7563
+S   34.3635 34.3614 38.7199
+S   34.3310 34.2817 38.6933
+S   34.2591 34.2688 38.6592
+S   34.1910 34.3118 38.6702
+S   34.0650 34.3429 38.6122
+S   33.9501 34.3523 38.6402
+S   33.8586 34.4181 38.6783
+S   33.7506 34.4316 38.6348
+S   33.6619 34.3834 38.6436
+S   33.5448 34.3584 38.6451
+S   33.3671 34.3211 38.5842
+S   33.1658 34.3555 38.5680
+S   33.0681 34.4006 38.6391
+S   33.0488 34.5053 38.6720
+S   33.0530 34.5634 38.7431
+S   33.0194 34.5415 38.8010
+S   32.9918 34.4985 38.9205
+S   32.9976 34.4900 39.0166
+S   32.9391 34.5610 39.1447
+S   32.9229 34.6101 39.2127
+S   32.9161 34.5755 39.2925
+S   32.9980 34.4095 39.3906
+S   32.9631 34.4228 39.5552
+S   32.9801 34.3702 39.7203
+S   32.9823 34.2040 39.8675
+S   32.9951 34.1231 39.8751
+S   33.0105 34.0261 39.8121
+S   32.9742 33.8967 39.8173
+S   32.9671 33.6999 39.8645
+S   32.9184 33.7215 39.8247
+S   32.9787 33.5322 39.7919
+S   32.9405 33.2867 39.7366
+S   32.8358 33.1209 39.5943
+S   32.8023 33.1193 39.4385
+S   32.7797 33.2041 39.4962
+S   32.7593 33.2078 39.5184
+S   32.8029 33.1238 39.4347
+S   32.8407 33.1069 39.3882
+S   32.8845 33.0473 39.3221
+S   32.9366 33.0640 39.2515
+S   33.0089 33.0045 39.2421
+S   33.0531 32.8780 39.2550
+S   33.0779 32.8243 39.3214
+S   33.1230 32.6755 39.3808
+S   33.1031 32.5102 39.3398
+S   33.0435 32.4230 39.3038
+S   33.0507 32.3522 39.2670
+S   33.1075 32.2756 39.2812
+S   33.1550 32.2575 39.3274
+S   33.1733 32.2255 39.3148
+S   33.2002 32.1992 39.3042
+S   33.4135 32.1651 39.3523
+S   33.5583 32.1915 39.4783
+S   33.6314 32.1243 39.4982
+S   33.7399 32.1056 39.5158
+S   33.7756 32.0666 39.5098
+S   33.8274 31.9825 39.5096
+S   33.7732 31.7745 39.4948
+S   33.7984 31.6479 39.4899
+S   33.7403 31.5490 39.5105
+S   33.6284 31.5481 39.5517
+S   33.5713 31.5833 39.5633
+S   33.6140 31.5634 39.6134
+S   33.7081 31.4707 39.6332
+S   33.7341 31.3384 39.5393
+S   33.6989 31.2089 39.4203
+S   33.5608 31.0684 39.3341
+S   33.5410 30.9193 39.3688
+S   33.5696 30.9016 39.3074
+S   33.4675 30.9122 39.3278
+S   33.3676 30.9385 39.3621
+S   33.2864 30.8855 39.4274
+S   33.3210 30.7198 39.5676
+S   33.3228 30.7149 39.6506
+S   33.2631 30.7193 39.6439
+S   33.2568 30.6840 39.5791
+S   33.2651 30.6167 39.5183
+S   33.1779 30.5371 39.4473
+S   33.2081 30.4601 39.3547
+S   33.2917 30.3810 39.3155
+S   33.3675 30.3302 39.3367
+S   33.3961 30.2413 39.3266
+S   33.4392 30.2631 39.2647
+S   33.4998 30.2792 39.2976
+S   33.4862 30.1876 39.3592
+S   33.5508 30.1231 39.4662
+S   33.5914 30.0788 39.4507
+S   33.5555 30.0864 39.4356
+S   33.5517 30.0535 39.4585
+S   33.5511 30.0067 39.4958
+S   33.4387 29.8879 39.5238
+S   33.3614 29.6452 39.5111
+S   33.3713 29.4984 39.6077
+S   33.3788 29.4811 39.6749
+S   33.2864 29.4497 39.7065
+S   33.2555 29.5227 39.6985
+S   33.2657 29.5882 39.6724
+S   33.2507 29.6583 39.6954
+S   33.2786 29.6516 39.6998
+S   33.1863 29.6420 39.6311
+S   33.1060 29.5787 39.6491
+S   32.9554 29.4802 39.6634
+S   32.7926 29.3849 39.7743
+S   32.5328 29.3429 39.7889
+S   32.3125 29.3530 39.8613
+S   32.1184 29.3301 39.9280

1lf5_ligand_GppNHp_197_dock1/MCpath42.xyz

@@ -0,0 +1,237 @@
+235
+235
+S   35.0254 35.2530 39.0271
+S   35.0089 35.1549 38.9532
+S   34.9858 35.0817 38.9457
+S   34.9713 35.0330 38.9484
+S   34.9871 34.9604 38.8927
+S   34.9192 34.9832 38.8921
+S   34.9310 35.0039 38.9576
+S   34.9435 35.0277 38.9794
+S   34.9509 35.0814 38.9924
+S   35.0208 35.0667 38.9352
+S   35.0098 35.0762 38.9022
+S   34.9555 35.1138 38.8821
+S   34.9200 35.0879 38.8533
+S   34.8776 35.0243 38.7953
+S   34.8008 35.0499 38.8384
+S   34.7953 35.1115 38.8329
+S   34.8080 35.1130 38.7912
+S   34.7507 35.0369 38.7490
+S   34.7231 34.9639 38.7932
+S   34.7306 34.8784 38.7955
+S   34.7224 34.8306 38.8154
+S   34.7474 34.7760 38.8311
+S   34.7080 34.6913 38.7720
+S   34.6163 34.5142 38.6919
+S   34.4930 34.3855 38.7011
+S   34.2974 34.3422 38.7101
+S   34.1959 34.3077 38.6026
+S   34.1991 34.2818 38.5263
+S   34.1560 34.1750 38.5117
+S   34.0856 34.0869 38.5687
+S   34.0466 34.1099 38.6029
+S   34.0471 34.0915 38.6701
+S   34.0517 34.0760 38.7228
+S   34.1111 34.0436 38.7958
+S   34.2485 34.0798 38.7900
+S   34.2952 34.0272 38.6873
+S   34.3423 33.9207 38.6519
+S   34.4633 33.7978 38.5922
+S   34.5866 33.6935 38.6189
+S   34.6685 33.5978 38.4884
+S   34.7435 33.5654 38.4757
+S   34.8333 33.5437 38.4868
+S   35.0326 33.5524 38.5409
+S   35.1542 33.5204 38.4923
+S   35.2762 33.5123 38.4165
+S   35.3331 33.5429 38.4203
+S   35.4668 33.5698 38.4376
+S   35.6284 33.6586 38.4826
+S   35.7054 33.7467 38.5018
+S   35.8062 33.7769 38.4838
+S   35.8850 33.7590 38.4210
+S   35.9394 33.7800 38.4070
+S   36.0050 33.7749 38.4261
+S   36.0978 33.8570 38.4010
+S   36.1022 33.8196 38.3438
+S   36.0460 33.7912 38.2026
+S   35.9876 33.6779 38.1091
+S   35.9258 33.4780 37.9774
+S   35.8962 33.4040 37.8592
+S   35.8148 33.3706 37.7367
+S   35.7262 33.4469 37.6468
+S   35.6715 33.4588 37.6784
+S   35.6417 33.5196 37.6663
+S   35.6331 33.6007 37.6650
+S   35.6800 33.5888 37.5928
+S   35.6681 33.5680 37.5243
+S   35.6555 33.5699 37.4226
+S   35.7530 33.5948 37.3098
+S   35.8577 33.5568 37.2479
+S   35.9106 33.5276 37.1635
+S   35.9060 33.5892 37.1081
+S   35.8003 33.5845 37.1285
+S   35.8179 33.6282 37.1516
+S   35.9018 33.6692 37.1520
+S   35.9142 33.7363 37.0760
+S   35.8533 33.8269 37.0377
+S   35.7714 33.9176 37.0454
+S   35.6875 33.9426 37.1550
+S   35.6270 33.9260 37.3021
+S   35.5113 33.9179 37.4109
+S   35.4990 33.8937 37.5016
+S   35.5484 33.8640 37.5000
+S   35.6051 33.7625 37.4766
+S   35.5354 33.6520 37.4056
+S   35.6596 33.5134 37.3670
+S   35.7414 33.3494 37.3377
+S   35.7588 33.2106 37.2947
+S   35.7352 33.0032 37.2483
+S   35.7646 32.7877 37.2645
+S   35.7831 32.5321 37.4443
+S   35.7376 32.2933 37.6224
+S   35.6513 32.0706 37.7124
+S   35.6274 31.9198 37.7598
+S   35.6437 31.8000 37.8830
+S   35.6767 31.6857 37.8618
+S   35.7216 31.6423 37.8456
+S   35.7734 31.5483 37.8982
+S   35.8356 31.4327 38.0032
+S   36.0010 31.3423 37.9336
+S   36.0273 31.2426 37.8827
+S   36.0817 31.2110 37.9292
+S   36.0583 31.2157 37.9280
+S   36.0342 31.3305 37.9927
+S   36.0080 31.4183 38.0126
+S   36.0386 31.3910 37.9967
+S   35.9982 31.4280 38.0091
+S   35.9029 31.4299 37.9934
+S   35.7836 31.4532 37.9499
+S   35.8130 31.4272 37.9458
+S   35.8432 31.3620 37.9306
+S   35.9064 31.2981 37.9455
+S   35.9364 31.3323 37.9010
+S   35.8543 31.4519 37.7722
+S   35.7897 31.4281 37.7227
+S   35.8094 31.3344 37.7265
+S   35.8203 31.2669 37.6860
+S   35.6618 31.1118 37.6748
+S   35.5377 31.0068 37.6764
+S   35.5218 30.8777 37.6838
+S   35.4867 30.8115 37.7483
+S   35.4927 30.7142 37.8477
+S   35.4694 30.6015 37.8442
+S   35.4320 30.3730 37.7840
+S   35.5034 30.1805 37.7249
+S   35.4838 30.0953 37.7574
+S   35.5006 30.1050 37.7827
+S   35.5069 30.1736 37.8711
+S   35.5494 30.1714 38.0002
+S   35.5449 30.1251 38.0847
+S   35.5732 30.0067 38.0819
+S   35.5862 29.9390 38.1570
+S   35.6293 29.8167 38.2658
+S   35.5839 29.8128 38.3213
+S   35.5722 29.8420 38.3713
+S   35.6545 29.8238 38.5433
+S   35.6729 29.7814 38.7063
+S   35.6716 29.8077 38.8426
+S   35.6341 29.7212 38.9979
+S   35.6489 29.5838 39.1321
+S   35.6156 29.5338 39.3116
+S   35.5808 29.6021 39.4800
+S   35.5691 29.6612 39.5706
+S   35.6072 29.7352 39.6639
+S   35.5070 29.8408 39.7590
+S   35.4090 29.8589 39.8567
+S   35.2958 29.8086 39.8615
+S   35.3097 29.7387 39.8410
+S   35.3538 29.7106 39.9016
+S   35.4490 29.6862 39.9614
+S   35.5707 29.7259 40.0273
+S   35.6707 29.8114 39.9513
+S   35.6791 29.8470 39.9191
+S   35.7078 29.8653 39.8453
+S   35.7417 29.8023 39.9155
+S   35.7695 29.7225 39.9875
+S   35.7706 29.7128 40.0336
+S   35.7303 29.6986 40.1414
+S   35.7510 29.6892 40.2838
+S   35.8615 29.6553 40.4238
+S   35.8228 29.6273 40.5370
+S   35.7172 29.6280 40.6016
+S   35.6693 29.6710 40.6754
+S   35.6666 29.6880 40.7447
+S   35.6813 29.7254 40.9015
+S   35.6886 29.7857 40.8892
+S   35.6443 29.7688 40.9048
+S   35.6716 29.7351 40.8810
+S   35.6226 29.7687 40.8141
+S   35.5601 29.7796 40.8720
+S   35.4741 29.7634 40.9539
+S   35.4458 29.6613 41.0044
+S   35.5116 29.5502 41.0276
+S   35.5653 29.5319 41.0842
+S   35.6549 29.5515 41.1872
+S   35.7150 29.6446 41.3388
+S   35.6556 29.7252 41.3671
+S   35.7103 29.7476 41.4233
+S   35.6298 29.7107 41.4605
+S   35.5606 29.6226 41.5089
+S   35.4664 29.5494 41.5415
+S   35.3689 29.4578 41.6072
+S   35.3669 29.3416 41.7318
+S   35.3875 29.1930 41.7990
+S   35.4135 28.9770 41.7960
+S   35.3478 28.7240 41.8249
+S   35.2395 28.5295 41.7029
+S   35.1900 28.3895 41.5970
+S   35.2671 28.1554 41.6423
+S   35.2974 27.9933 41.6349
+S   35.3699 27.8587 41.7040
+S   35.4338 27.7755 41.7237
+S   35.5724 27.8298 41.7947
+S   35.5426 27.8240 41.8082
+S   35.6081 27.7364 41.7499
+S   35.7321 27.6742 41.6771
+S   35.8957 27.6453 41.6055
+S   35.9183 27.6199 41.5541
+S   35.8580 27.6708 41.5041
+S   35.7908 27.6665 41.4772
+S   35.6749 27.6679 41.3961
+S   35.5803 27.6805 41.3485
+S   35.5113 27.6851 41.3222
+S   35.4158 27.6504 41.2814
+S   35.3397 27.5909 41.2728
+S   35.3013 27.5156 41.3396
+S   35.3104 27.4966 41.3669
+S   35.3708 27.4426 41.4495
+S   35.3423 27.4538 41.4328
+S   35.4159 27.4123 41.3951
+S   35.4925 27.3943 41.4477
+S   35.5669 27.3823 41.4661
+S   35.6121 27.2584 41.4732
+S   35.6619 27.1389 41.3338
+S   35.6842 27.0258 41.3351
+S   35.5698 26.8999 41.3951
+S   35.4906 26.7939 41.4994
+S   35.4221 26.6294 41.5384
+S   35.4171 26.4175 41.6548
+S   35.4370 26.3349 41.6781
+S   35.4587 26.3921 41.8063
+S   35.4325 26.3572 41.9219
+S   35.3553 26.3136 41.9935
+S   35.3400 26.3140 42.0923
+S   35.3196 26.2785 42.1105
+S   35.3092 26.1903 42.1490
+S   35.3155 26.1533 42.1808
+S   35.3626 26.1609 42.2183
+S   35.3585 26.1354 42.2326
+S   35.2985 26.0813 42.2453
+S   35.2563 25.9881 42.3592
+S   35.1911 25.9237 42.4291
+S   35.1896 25.8438 42.4769
+S   35.2512 25.7177 42.5256
+S   35.3433 25.4463 42.5955
+S   35.3477 25.2696 42.5779

1lf5_ligand_GppNHp_197_dock1/MCpath43.xyz

@@ -0,0 +1,277 @@
+275
+275
+S   35.1351 35.2716 39.0627
+S   35.0392 35.2917 39.0383
+S   35.0308 35.3269 38.9658
+S   35.0254 35.3886 38.8729
+S   35.0131 35.3719 38.7787
+S   34.9435 35.3927 38.7606
+S   34.9412 35.3921 38.8735
+S   35.0339 35.4188 38.9319
+S   35.0515 35.4171 38.9690
+S   35.0330 35.4083 38.9186
+S   34.9755 35.3559 38.8140
+S   34.9256 35.3720 38.7361
+S   34.9003 35.3420 38.7274
+S   34.8186 35.2575 38.8084
+S   34.7482 35.2165 38.7935
+S   34.7342 35.2229 38.7050
+S   34.6905 35.2387 38.6189
+S   34.6321 35.3046 38.5684
+S   34.6201 35.3132 38.5852
+S   34.5892 35.3868 38.5825
+S   34.6261 35.4877 38.5670
+S   34.6559 35.6021 38.5732
+S   34.7149 35.6836 38.5933
+S   34.7528 35.6415 38.6996
+S   34.7977 35.6813 38.8428
+S   34.9120 35.6730 38.8421
+S   34.9418 35.5590 38.8135
+S   34.9023 35.3384 38.6571
+S   34.8566 35.2734 38.5605
+S   34.8685 35.2391 38.5061
+S   34.8922 35.2432 38.4665
+S   34.8359 35.1320 38.5303
+S   34.7370 34.9234 38.5558
+S   34.6510 34.7036 38.5112
+S   34.5164 34.5347 38.4896
+S   34.4888 34.4024 38.5428
+S   34.5245 34.3022 38.6094
+S   34.5263 34.1806 38.6344
+S   34.5646 34.1188 38.6527
+S   34.6113 34.0802 38.8173
+S   34.6125 33.9778 38.9169
+S   34.6760 33.9025 38.9814
+S   34.7525 33.8024 38.9514
+S   34.7316 33.8515 38.8983
+S   34.7805 33.7968 38.8870
+S   34.6656 33.7918 38.7785
+S   34.6010 33.7822 38.6986
+S   34.5681 33.7672 38.5390
+S   34.5759 33.6765 38.5336
+S   34.5405 33.5696 38.6802
+S   34.5674 33.4368 38.7778
+S   34.6489 33.4438 38.7046
+S   34.6974 33.4157 38.7537
+S   34.6117 33.4673 38.8178
+S   34.5907 33.4623 38.7276
+S   34.5957 33.3684 38.7392
+S   34.4917 33.3417 38.7293
+S   34.4456 33.3259 38.6885
+S   34.4057 33.4581 38.6959
+S   34.3556 33.4709 38.7220
+S   34.3100 33.4518 38.6550
+S   34.2915 33.3976 38.6249
+S   34.2837 33.3331 38.5574
+S   34.2938 33.3258 38.5596
+S   34.3531 33.3025 38.5923
+S   34.4032 33.2619 38.6144
+S   34.4786 33.1810 38.5128
+S   34.4886 33.1177 38.5006
+S   34.4357 33.0505 38.4849
+S   34.4018 33.0077 38.3633
+S   34.4965 32.9097 38.4467
+S   34.6288 32.7984 38.4857
+S   34.6615 32.6717 38.3991
+S   34.6659 32.4793 38.3685
+S   34.7549 32.2843 38.3382
+S   34.8471 32.1596 38.2716
+S   34.9386 32.1541 38.1601
+S   35.0865 32.1909 38.1193
+S   35.2487 32.2599 38.1216
+S   35.3591 32.2539 38.0622
+S   35.5397 32.2323 38.0857
+S   35.7816 32.2976 38.0515
+S   35.9745 32.4213 37.9656
+S   36.1373 32.4551 37.7857
+S   36.2401 32.5313 37.7275
+S   36.3666 32.7000 37.7782
+S   36.4191 32.8306 37.7937
+S   36.5536 32.8792 37.6805
+S   36.6276 32.8536 37.6356
+S   36.5873 32.8138 37.5232
+S   36.5628 32.7970 37.5425
+S   36.5890 32.8183 37.5087
+S   36.5406 32.8305 37.5213
+S   36.4645 32.8810 37.5877
+S   36.5354 32.8833 37.6202
+S   36.5584 32.8386 37.6439
+S   36.5395 32.8450 37.7196
+S   36.5592 32.8281 37.7278
+S   36.5327 32.8892 37.7083
+S   36.4989 32.9712 37.7177
+S   36.5187 33.0493 37.6932
+S   36.6534 33.0394 37.7127
+S   36.8105 33.0778 37.7226
+S   36.8852 33.0897 37.7078
+S   36.8715 32.9773 37.6449
+S   36.8474 32.9476 37.5863
+S   36.8421 32.9270 37.5149
+S   36.7880 32.9455 37.5455
+S   36.8292 32.8546 37.5561
+S   36.9078 32.6115 37.5922
+S   37.0072 32.4049 37.6395
+S   37.0785 32.2988 37.6605
+S   37.0478 32.2624 37.6368
+S   37.0880 32.2920 37.6948
+S   37.2852 32.3820 37.7436
+S   37.4926 32.4710 37.8032
+S   37.5385 32.5491 37.7614
+S   37.4652 32.5610 37.6929
+S   37.4730 32.6611 37.6787
+S   37.5316 32.7007 37.6660
+S   37.5534 32.7361 37.6753
+S   37.5406 32.7934 37.6871
+S   37.5372 32.8033 37.6734
+S   37.5834 32.7874 37.6073
+S   37.6204 32.8037 37.5847
+S   37.7748 32.8811 37.6229
+S   37.8193 32.9101 37.6550
+S   37.8387 32.8624 37.6569
+S   37.8787 32.8333 37.6478
+S   37.8724 32.8015 37.5945
+S   37.8728 32.7101 37.5511
+S   37.8500 32.5921 37.5179
+S   37.8008 32.4278 37.5977
+S   37.8152 32.2079 37.5100
+S   37.8088 31.9620 37.4716
+S   37.7568 31.5791 37.5180
+S   37.7255 31.2141 37.6025
+S   37.6978 30.9453 37.7175
+S   37.6428 30.7304 37.7621
+S   37.5463 30.6141 37.7935
+S   37.4655 30.5829 37.8740
+S   37.3898 30.5954 37.9576
+S   37.3559 30.6330 37.9392
+S   37.3503 30.6723 37.9545
+S   37.3574 30.7250 38.0279
+S   37.3115 30.7509 38.0731
+S   37.2489 30.8276 38.0326
+S   37.3486 30.8643 38.0335
+S   37.3325 30.8973 38.0608
+S   37.3329 30.9437 38.0026
+S   37.3293 30.9264 37.9054
+S   37.3117 30.9062 37.8064
+S   37.3224 30.8572 37.7533
+S   37.3421 30.8116 37.6968
+S   37.3337 30.7789 37.6024
+S   37.3226 30.7808 37.4702
+S   37.2985 30.7862 37.3762
+S   37.3100 30.7624 37.3127
+S   37.3116 30.6918 37.2691
+S   37.3551 30.5869 37.3132
+S   37.4248 30.5659 37.3518
+S   37.4335 30.6269 37.3771
+S   37.5089 30.6692 37.4205
+S   37.5676 30.6547 37.4216
+S   37.6291 30.5979 37.4889
+S   37.6239 30.5259 37.4791
+S   37.5246 30.5265 37.4606
+S   37.4095 30.6216 37.4299
+S   37.3292 30.6158 37.3909
+S   37.3811 30.6024 37.3754
+S   37.4532 30.6441 37.3196
+S   37.5701 30.5897 37.3651
+S   37.6509 30.4746 37.3762
+S   37.7218 30.3680 37.3861
+S   37.8110 30.2544 37.2995
+S   37.8290 30.1110 37.2792
+S   37.8593 29.9142 37.2273
+S   37.8893 29.7735 37.0532
+S   37.9484 29.6502 36.7711
+S   37.9532 29.5843 36.4398
+S   37.9074 29.5491 36.0744
+S   37.8704 29.5872 35.8377
+S   37.9445 29.6237 35.6830
+S   38.0103 29.7035 35.5703
+S   38.0363 29.6513 35.4871
+S   38.0501 29.6355 35.4009
+S   37.9947 29.6060 35.2368
+S   37.9502 29.6299 35.0620
+S   37.8601 29.6897 34.8431
+S   37.7292 29.7022 34.6991
+S   37.6883 29.6578 34.6300
+S   37.6873 29.5950 34.5996
+S   37.7446 29.5963 34.4946
+S   37.8143 29.6063 34.4860
+S   37.9171 29.6838 34.3689
+S   38.0101 29.7052 34.2676
+S   38.0162 29.6771 34.1675
+S   37.9323 29.6224 34.1687
+S   37.9056 29.6958 34.1762
+S   37.9216 29.8001 34.1325
+S   37.9083 29.8724 34.0583
+S   37.9292 29.8606 34.0037
+S   37.9795 29.7583 33.9495
+S   37.9680 29.7311 33.8191
+S   37.9314 29.6680 33.6697
+S   37.8405 29.6572 33.4904
+S   37.7288 29.6742 33.3474
+S   37.6536 29.6843 33.2419
+S   37.6280 29.7711 33.2241
+S   37.6397 29.8503 33.2163
+S   37.6291 29.9712 33.1606
+S   37.6895 29.9392 33.0492
+S   37.7251 29.9437 33.0227
+S   37.7336 29.9568 32.9751
+S   37.7509 29.9626 32.8823
+S   37.7736 29.9791 32.7894
+S   37.8650 29.9755 32.7176
+S   37.9144 29.8885 32.6879
+S   37.8386 29.8240 32.7130
+S   37.7018 29.7437 32.7001
+S   37.6478 29.6518 32.6205
+S   37.6378 29.6114 32.5325
+S   37.5665 29.6207 32.5006
+S   37.5884 29.6540 32.4845
+S   37.5856 29.7017 32.4398
+S   37.4471 29.7033 32.4459
+S   37.4575 29.6506 32.3753
+S   37.4237 29.6268 32.2633
+S   37.4345 29.5546 32.1426
+S   37.4768 29.5684 32.0484
+S   37.5000 29.6223 31.8627
+S   37.5280 29.7519 31.8152
+S   37.5462 29.8559 31.8993
+S   37.5260 29.9160 31.8889
+S   37.5113 29.8565 31.7800
+S   37.5373 29.8367 31.6617
+S   37.5978 29.6778 31.4986
+S   37.6849 29.5695 31.3043
+S   37.7396 29.5276 31.0808
+S   37.7235 29.5572 30.9693
+S   37.6863 29.5401 30.9508
+S   37.6005 29.6079 30.9064
+S   37.5774 29.6331 30.8423
+S   37.5584 29.6569 30.7789
+S   37.5230 29.7205 30.7522
+S   37.4639 29.8076 30.6940
+S   37.4943 29.8719 30.5750
+S   37.4923 29.9091 30.4882
+S   37.4931 29.8489 30.4190
+S   37.4590 29.7761 30.4813
+S   37.4881 29.6625 30.3835
+S   37.6085 29.6540 30.2581
+S   37.6963 29.6633 30.1981
+S   37.7677 29.6894 30.1710
+S   37.7854 29.7564 30.0823
+S   37.7511 29.8575 30.0060
+S   37.6926 29.7854 29.9843
+S   37.7031 29.7149 29.8481
+S   37.7227 29.6344 29.7778
+S   37.6669 29.5723 29.6529
+S   37.5339 29.5307 29.5782
+S   37.4761 29.5169 29.4694
+S   37.4262 29.4098 29.3726
+S   37.3036 29.2881 29.2045
+S   37.1714 29.1281 29.0592
+S   37.1216 28.9518 29.0427
+S   37.2085 28.8630 29.0274
+S   37.2607 28.8145 29.0311
+S   37.2874 28.8188 29.0322
+S   37.2709 28.7769 28.9384
+S   37.3024 28.7021 28.8098
+S   37.4582 28.6464 28.7080
+S   37.5854 28.5527 28.6206
+S   37.6357 28.4484 28.5613
+S   37.6724 28.3118 28.4179

1lf5_ligand_GppNHp_197_dock1/MCpath44.xyz

@@ -0,0 +1,201 @@
+199
+199
+S   34.9962 35.2285 39.0389
+S   35.0163 35.1752 38.9864
+S   35.0236 35.2122 38.9423
+S   35.0101 35.2047 38.9029
+S   34.9992 35.1806 38.8828
+S   34.9991 35.1375 38.9006
+S   34.9615 35.1080 38.8994
+S   34.8690 35.1150 38.9203
+S   34.8456 35.1293 38.9522
+S   34.8926 35.1636 38.9611
+S   35.0405 35.1941 38.8850
+S   35.1575 35.2898 38.8839
+S   35.2793 35.3321 38.9033
+S   35.3943 35.3650 38.8865
+S   35.4028 35.3953 38.7979
+S   35.3630 35.4366 38.7558
+S   35.3574 35.4152 38.6423
+S   35.4020 35.4028 38.5435
+S   35.4744 35.3290 38.5508
+S   35.5041 35.2198 38.5452
+S   35.5222 35.2439 38.5026
+S   35.4698 35.3407 38.4609
+S   35.4706 35.2952 38.4129
+S   35.5690 35.2452 38.3505
+S   35.6484 35.2075 38.2937
+S   35.6584 35.2001 38.2736
+S   35.6627 35.2602 38.3161
+S   35.7244 35.2774 38.2935
+S   35.7839 35.3652 38.2737
+S   35.8115 35.3806 38.2872
+S   35.8235 35.4085 38.2043
+S   35.8188 35.5009 38.1320
+S   35.7788 35.5541 38.1823
+S   35.6977 35.6296 38.1928
+S   35.6762 35.6380 38.2138
+S   35.6744 35.6364 38.2582
+S   35.7086 35.6473 38.3304
+S   35.6592 35.7425 38.3412
+S   35.6225 35.7234 38.3466
+S   35.6193 35.7469 38.4096
+S   35.6033 35.7632 38.5164
+S   35.5535 35.7962 38.5499
+S   35.5257 35.8113 38.4626
+S   35.4668 35.6991 38.5294
+S   35.4657 35.6327 38.5898
+S   35.3561 35.5128 38.5346
+S   35.2191 35.5613 38.4456
+S   35.0695 35.6436 38.4341
+S   34.8428 35.6258 38.4099
+S   34.6171 35.6082 38.3740
+S   34.4425 35.6195 38.4234
+S   34.3210 35.6453 38.4150
+S   34.1607 35.6533 38.3081
+S   34.0790 35.5687 38.2751
+S   34.0864 35.5299 38.2288
+S   34.1108 35.4280 38.2875
+S   34.2214 35.3157 38.3470
+S   34.1367 35.2485 38.4053
+S   34.1540 35.0787 38.4365
+S   34.1388 34.8933 38.4304
+S   34.1438 34.8501 38.4228
+S   34.1270 34.8482 38.3707
+S   34.0882 34.8821 38.3477
+S   34.0541 34.8397 38.3915
+S   34.0651 34.7142 38.4569
+S   34.0429 34.6638 38.5350
+S   34.0427 34.5904 38.6685
+S   33.9451 34.5525 38.7099
+S   33.8600 34.5034 38.8354
+S   33.7894 34.3356 38.8736
+S   33.6955 34.2897 38.9029
+S   33.5674 34.2611 38.9565
+S   33.4498 34.3018 39.0836
+S   33.4027 34.1748 39.0665
+S   33.4045 34.0108 39.0506
+S   33.4126 33.9670 39.0544
+S   33.4289 33.8972 39.0383
+S   33.5305 33.8066 38.9896
+S   33.5212 33.7577 38.9544
+S   33.5586 33.6452 38.9897
+S   33.5453 33.5461 38.9750
+S   33.5215 33.4799 39.0092
+S   33.4357 33.4427 39.0674
+S   33.3207 33.4944 39.1904
+S   33.2746 33.5282 39.4717
+S   33.2195 33.5387 39.7241
+S   33.1848 33.6203 39.9482
+S   33.1593 33.7378 40.1591
+S   33.1632 33.8814 40.2392
+S   33.2197 34.0210 40.3033
+S   33.3520 34.0989 40.3332
+S   33.5178 34.2942 40.3192
+S   33.5028 34.5083 40.3774
+S   33.4963 34.6642 40.3885
+S   33.5405 34.7553 40.4395
+S   33.6113 34.8615 40.5012
+S   33.5681 34.9561 40.5764
+S   33.3983 35.0238 40.6171
+S   33.2994 34.9477 40.6785
+S   33.2742 34.8767 40.7022
+S   33.3657 34.7964 40.6963
+S   33.3860 34.8455 40.7575
+S   33.3972 34.8141 40.8067
+S   33.2723 34.7475 40.7789
+S   33.2153 34.5682 40.7692
+S   33.1311 34.4589 40.7379
+S   33.0217 34.4661 40.7260
+S   32.9291 34.5155 40.6141
+S   32.9033 34.4778 40.5045
+S   32.8513 34.5445 40.5659
+S   32.7009 34.6038 40.5656
+S   32.4869 34.6670 40.5744
+S   32.3681 34.7507 40.5362
+S   32.2875 34.7243 40.5057
+S   32.1501 34.7395 40.4113
+S   32.1008 34.7672 40.3269
+S   32.1723 34.8224 40.2987
+S   32.2059 34.8235 40.2570
+S   32.1807 34.7253 40.3250
+S   32.1327 34.6234 40.3974
+S   32.1381 34.5577 40.4270
+S   32.1118 34.6523 40.4570
+S   32.1195 34.7204 40.3856
+S   32.1170 34.6403 40.3628
+S   32.1505 34.4732 40.3202
+S   32.1096 34.3148 40.3157
+S   32.0563 34.3239 40.3618
+S   31.9768 34.3849 40.4854
+S   32.0062 34.4380 40.5696
+S   31.8913 34.4620 40.6003
+S   31.7737 34.4542 40.6553
+S   31.7184 34.3960 40.7720
+S   31.6020 34.4613 40.8262
+S   31.5107 34.5569 40.9364
+S   31.4795 34.5871 41.0473
+S   31.3239 34.5248 41.0420
+S   31.1895 34.4875 40.9609
+S   31.1973 34.4323 40.8858
+S   31.2198 34.3944 40.8200
+S   31.2409 34.2584 40.6786
+S   31.2031 34.2164 40.6538
+S   31.2478 34.0672 40.6509
+S   31.3800 33.7910 40.6056
+S   31.4535 33.4422 40.5740
+S   31.4782 33.1696 40.5901
+S   31.5320 32.9672 40.5894
+S   31.6018 32.8054 40.6203
+S   31.6605 32.7080 40.6858
+S   31.6546 32.5976 40.6311
+S   31.5706 32.5230 40.5043
+S   31.5190 32.3940 40.2839
+S   31.6246 32.2208 40.1480
+S   31.7277 32.1919 40.0867
+S   31.7872 32.2859 39.9461
+S   31.9121 32.3448 39.8760
+S   31.9843 32.5114 39.7436
+S   31.9922 32.5983 39.7020
+S   32.0399 32.7501 39.6466
+S   32.0570 32.8150 39.5989
+S   32.0541 32.7909 39.5443
+S   32.0634 32.7798 39.4382
+S   32.0441 32.7116 39.4335
+S   32.0187 32.6319 39.4363
+S   31.9959 32.5856 39.4227
+S   31.9844 32.5613 39.3598
+S   31.9837 32.4732 39.3139
+S   31.9047 32.4198 39.2906
+S   31.7813 32.3328 39.3300
+S   31.7160 32.2354 39.3931
+S   31.6052 32.2453 39.3604
+S   31.5543 32.2379 39.4425
+S   31.5131 32.1564 39.4695
+S   31.5688 32.0592 39.4432
+S   31.6575 31.9326 39.4665
+S   31.7248 31.8574 39.4580
+S   31.7085 31.7951 39.4562
+S   31.7578 31.7536 39.5063
+S   31.8018 31.7345 39.6156
+S   31.8412 31.8047 39.6608
+S   31.7065 31.8542 39.6612
+S   31.6322 31.8274 39.6474
+S   31.6562 31.7805 39.7393
+S   31.6876 31.7923 39.8291
+S   31.7365 31.7804 39.9061
+S   31.7378 31.7124 39.9147
+S   31.7636 31.5471 39.9214
+S   31.7455 31.3992 39.8904
+S   31.6888 31.2255 39.8071
+S   31.5936 31.0671 39.7542
+S   31.6325 30.9487 39.7009
+S   31.6814 30.8615 39.7721
+S   31.6399 30.8529 39.8209
+S   31.6790 30.8587 39.9153
+S   31.6938 30.8042 40.0299
+S   31.7469 30.7420 40.0715
+S   31.8423 30.5888 39.9271
+S   31.8911 30.4771 39.9098
+S   31.8384 30.3260 39.8833
+S   31.7698 30.2143 39.8679

1lf5_ligand_GppNHp_197_dock1/MCpath45.xyz

@@ -0,0 +1,511 @@
+509
+509
+S   35.0574 35.2942 39.0231
+S   35.0999 35.3108 39.0243
+S   35.0305 35.3858 39.0275
+S   35.0404 35.4181 39.0425
+S   35.0464 35.4402 39.0737
+S   35.1070 35.4042 39.0868
+S   35.1192 35.4032 39.0814
+S   35.0930 35.4840 39.0343
+S   35.0192 35.4891 39.1205
+S   34.9839 35.4411 39.1902
+S   35.0271 35.4900 39.2200
+S   35.1314 35.5956 39.3119
+S   35.2087 35.6238 39.3543
+S   35.2903 35.6658 39.4042
+S   35.3615 35.6800 39.4073
+S   35.3768 35.6109 39.3644
+S   35.3447 35.4510 39.3831
+S   35.2653 35.4526 39.4361
+S   35.2601 35.4779 39.4691
+S   35.2392 35.5436 39.4647
+S   35.3082 35.5978 39.5051
+S   35.3362 35.6501 39.5116
+S   35.2643 35.6795 39.5221
+S   35.2244 35.6480 39.5032
+S   35.2881 35.6798 39.4949
+S   35.2689 35.6435 39.4543
+S   35.2318 35.5503 39.4363
+S   35.3132 35.4808 39.4342
+S   35.3728 35.4825 39.4594
+S   35.4519 35.4719 39.4228
+S   35.5168 35.5817 39.3187
+S   35.4390 35.6245 39.3262
+S   35.4511 35.5950 39.4567
+S   35.5034 35.5280 39.5132
+S   35.5177 35.5177 39.5084
+S   35.5691 35.5875 39.5750
+S   35.6647 35.5815 39.7094
+S   35.6409 35.6420 39.8385
+S   35.6280 35.6215 39.7931
+S   35.6612 35.6419 39.7383
+S   35.6411 35.6727 39.7022
+S   35.5625 35.6554 39.6282
+S   35.5331 35.6236 39.6991
+S   35.5900 35.6170 39.8163
+S   35.5870 35.5143 39.9616
+S   35.5046 35.4087 40.1389
+S   35.3813 35.3826 40.2240
+S   35.3166 35.4150 40.3519
+S   35.3464 35.3612 40.4436
+S   35.2685 35.3590 40.6182
+S   35.2357 35.4374 40.7883
+S   35.2966 35.5778 40.8541
+S   35.3896 35.6240 40.8519
+S   35.4006 35.6057 40.7945
+S   35.4671 35.5869 40.8653
+S   35.4756 35.5057 40.9084
+S   35.4908 35.5024 40.9111
+S   35.4369 35.4204 40.8486
+S   35.3369 35.4080 40.7947
+S   35.3520 35.3826 40.7131
+S   35.4114 35.3828 40.6517
+S   35.4772 35.3238 40.6428
+S   35.4333 35.3489 40.6928
+S   35.3366 35.3231 40.6728
+S   35.2996 35.3487 40.7143
+S   35.3939 35.3198 40.7702
+S   35.4675 35.3719 40.7909
+S   35.4098 35.4116 40.7310
+S   35.3579 35.5152 40.6574
+S   35.3690 35.5124 40.6658
+S   35.4953 35.4989 40.6513
+S   35.5667 35.5666 40.6900
+S   35.6480 35.5796 40.7735
+S   35.7831 35.5786 40.8545
+S   35.8362 35.5807 40.8898
+S   35.8097 35.5523 40.8987
+S   35.6804 35.4379 40.8774
+S   35.4742 35.3505 40.8881
+S   35.3794 35.3559 40.8899
+S   35.2970 35.3677 40.8570
+S   35.3567 35.3690 40.8102
+S   35.3694 35.3274 40.7339
+S   35.4248 35.3174 40.6705
+S   35.5041 35.3613 40.5984
+S   35.6100 35.4465 40.5638
+S   35.7198 35.6761 40.5156
+S   35.6859 35.6854 40.5442
+S   35.6890 35.6909 40.5754
+S   35.7501 35.6339 40.4439
+S   35.6774 35.5174 40.4445
+S   35.5356 35.4747 40.5069
+S   35.5255 35.5013 40.5343
+S   35.4437 35.5770 40.5848
+S   35.4521 35.5394 40.5566
+S   35.4140 35.5475 40.5175
+S   35.4143 35.5042 40.3879
+S   35.5866 35.4070 40.3330
+S   35.6819 35.3872 40.3959
+S   35.7027 35.5575 40.4575
+S   35.6961 35.6583 40.5636
+S   35.7928 35.6350 40.6260
+S   35.8174 35.6375 40.7308
+S   35.7756 35.5875 40.7541
+S   35.6624 35.4636 40.6412
+S   35.6152 35.3297 40.6335
+S   35.5470 35.2704 40.6008
+S   35.5503 35.2034 40.5089
+S   35.5168 35.3047 40.5062
+S   35.4940 35.4334 40.5462
+S   35.5113 35.5241 40.6150
+S   35.4406 35.5180 40.6230
+S   35.3471 35.5326 40.6306
+S   35.3584 35.5341 40.5747
+S   35.4280 35.5656 40.6168
+S   35.3956 35.5915 40.5986
+S   35.3755 35.6277 40.5151
+S   35.4671 35.6097 40.5358
+S   35.5685 35.4917 40.6035
+S   35.6088 35.3880 40.6722
+S   35.5721 35.2909 40.6832
+S   35.4787 35.3159 40.7901
+S   35.4387 35.4241 40.9554
+S   35.3548 35.4893 40.8956
+S   35.3182 35.5941 40.7717
+S   35.3238 35.6227 40.5863
+S   35.3467 35.6118 40.4800
+S   35.3422 35.6177 40.4344
+S   35.3234 35.6081 40.4819
+S   35.3356 35.5917 40.5963
+S   35.3649 35.5056 40.6299
+S   35.3025 35.5498 40.6039
+S   35.3607 35.6229 40.4891
+S   35.4093 35.6769 40.4337
+S   35.4804 35.7377 40.3970
+S   35.4901 35.7245 40.4352
+S   35.3987 35.6248 40.4447
+S   35.3486 35.6397 40.4247
+S   35.4455 35.6023 40.4154
+S   35.5993 35.4953 40.5004
+S   35.5172 35.4613 40.5478
+S   35.3879 35.4450 40.5914
+S   35.3659 35.3955 40.5865
+S   35.4686 35.3607 40.6296
+S   35.5076 35.4030 40.6301
+S   35.5134 35.4782 40.6312
+S   35.5110 35.5921 40.4871
+S   35.5606 35.6673 40.4208
+S   35.6360 35.6304 40.3228
+S   35.7111 35.5697 40.2931
+S   35.7251 35.5738 40.3034
+S   35.6527 35.5090 40.3097
+S   35.5897 35.4934 40.3244
+S   35.5405 35.3877 40.3258
+S   35.4938 35.3678 40.4040
+S   35.4629 35.3225 40.5419
+S   35.3914 35.3577 40.6300
+S   35.3646 35.4511 40.6810
+S   35.4222 35.5243 40.7786
+S   35.4574 35.5139 40.7388
+S   35.4440 35.4963 40.6525
+S   35.5243 35.4690 40.5696
+S   35.6215 35.5301 40.6204
+S   35.6826 35.6054 40.6304
+S   35.7228 35.6019 40.6989
+S   35.7175 35.6451 40.8031
+S   35.6665 35.6070 40.7708
+S   35.6307 35.5788 40.7222
+S   35.5582 35.6186 40.7541
+S   35.4905 35.6654 40.7536
+S   35.5212 35.6985 40.8178
+S   35.4724 35.6614 40.8806
+S   35.4012 35.6341 40.7428
+S   35.4326 35.5688 40.6056
+S   35.5185 35.5538 40.5368
+S   35.5313 35.6095 40.4741
+S   35.6295 35.4948 40.3971
+S   35.7150 35.4451 40.4425
+S   35.6901 35.4342 40.4692
+S   35.6962 35.4829 40.4541
+S   35.7530 35.5108 40.4834
+S   35.7639 35.5677 40.4895
+S   35.6688 35.4891 40.4727
+S   35.6046 35.5488 40.4799
+S   35.6623 35.5859 40.5603
+S   35.5857 35.5994 40.5538
+S   35.4653 35.5947 40.5611
+S   35.4384 35.5236 40.5414
+S   35.3496 35.4433 40.5139
+S   35.2886 35.4191 40.4300
+S   35.2428 35.4429 40.3300
+S   35.2502 35.3665 40.2456
+S   35.2281 35.3008 40.1509
+S   35.2053 35.3146 40.2644
+S   35.2706 35.3040 40.2646
+S   35.3711 35.2355 40.2551
+S   35.4391 35.2175 40.2317
+S   35.4485 35.2978 40.3105
+S   35.4350 35.3249 40.3232
+S   35.4414 35.3683 40.4359
+S   35.4511 35.3859 40.5492
+S   35.4426 35.3527 40.5980
+S   35.3158 35.4276 40.5905
+S   35.2377 35.4701 40.5300
+S   35.2145 35.4118 40.3833
+S   35.1802 35.4450 40.3143
+S   35.3022 35.4805 40.3780
+S   35.4849 35.4306 40.4882
+S   35.5731 35.4844 40.5193
+S   35.6495 35.4905 40.4892
+S   35.7290 35.5498 40.3858
+S   35.7811 35.5956 40.4264
+S   35.8461 35.5443 40.4875
+S   35.8190 35.5012 40.5159
+S   35.7795 35.5194 40.4673
+S   35.6674 35.5756 40.4001
+S   35.6477 35.5397 40.4462
+S   35.6132 35.5610 40.3644
+S   35.5734 35.5760 40.3904
+S   35.5076 35.5331 40.4768
+S   35.4681 35.5595 40.5471
+S   35.4381 35.7053 40.5648
+S   35.4971 35.6725 40.6298
+S   35.5188 35.5198 40.6504
+S   35.5505 35.4941 40.6938
+S   35.5722 35.4964 40.6614
+S   35.5586 35.4908 40.5853
+S   35.6245 35.5112 40.5154
+S   35.6178 35.5478 40.5455
+S   35.5832 35.5644 40.5272
+S   35.5477 35.4875 40.5170
+S   35.4228 35.4513 40.4930
+S   35.3773 35.5880 40.4427
+S   35.4062 35.5775 40.3892
+S   35.4750 35.5429 40.3416
+S   35.4854 35.5389 40.3136
+S   35.5743 35.5134 40.4332
+S   35.6221 35.4618 40.4749
+S   35.5730 35.4886 40.4599
+S   35.5859 35.5205 40.4621
+S   35.6612 35.4428 40.5248
+S   35.6506 35.3590 40.5406
+S   35.6031 35.3404 40.5740
+S   35.5189 35.3717 40.6460
+S   35.4228 35.3442 40.6024
+S   35.3789 35.3438 40.5858
+S   35.4320 35.2325 40.6649
+S   35.5133 35.2718 40.5962
+S   35.6133 35.3452 40.4894
+S   35.5516 35.3870 40.4919
+S   35.4918 35.3872 40.3832
+S   35.4331 35.3967 40.4321
+S   35.4270 35.4382 40.3749
+S   35.3856 35.5355 40.4359
+S   35.3944 35.6498 40.4342
+S   35.4480 35.7096 40.3952
+S   35.4469 35.7626 40.4301
+S   35.4299 35.7873 40.4801
+S   35.4026 35.7938 40.5476
+S   35.4132 35.8025 40.5035
+S   35.4786 35.7802 40.4440
+S   35.5064 35.7547 40.4002
+S   35.4598 35.6447 40.4825
+S   35.4141 35.6219 40.5925
+S   35.3798 35.5387 40.6822
+S   35.3703 35.5120 40.7569
+S   35.3664 35.4383 40.7017
+S   35.5079 35.3792 40.6564
+S   35.5653 35.3593 40.6099
+S   35.5353 35.4357 40.6438
+S   35.5393 35.4261 40.6681
+S   35.6046 35.3865 40.6692
+S   35.5702 35.3945 40.7156
+S   35.4923 35.3856 40.6926
+S   35.4738 35.2939 40.6329
+S   35.5046 35.2625 40.5547
+S   35.5553 35.2654 40.4492
+S   35.4798 35.2916 40.4224
+S   35.3940 35.3910 40.3797
+S   35.3775 35.4124 40.3066
+S   35.4955 35.4236 40.2400
+S   35.5925 35.4259 40.2268
+S   35.6027 35.4651 40.2341
+S   35.6156 35.4364 40.1897
+S   35.6068 35.4927 40.2621
+S   35.5906 35.5481 40.2505
+S   35.5738 35.5903 40.3258
+S   35.5195 35.6509 40.4304
+S   35.5524 35.7397 40.5324
+S   35.6143 35.6653 40.5576
+S   35.6447 35.5656 40.5605
+S   35.6370 35.5765 40.5925
+S   35.5517 35.5557 40.6378
+S   35.5033 35.5618 40.6579
+S   35.4547 35.5923 40.6934
+S   35.4298 35.5185 40.6873
+S   35.4779 35.4591 40.6638
+S   35.4578 35.4204 40.5765
+S   35.5057 35.3697 40.4922
+S   35.5358 35.2699 40.4627
+S   35.5930 35.3275 40.5016
+S   35.6548 35.4293 40.5157
+S   35.7273 35.5542 40.5065
+S   35.7333 35.6662 40.6048
+S   35.7995 35.6592 40.6361
+S   35.7711 35.5569 40.6924
+S   35.6691 35.5576 40.7454
+S   35.5079 35.4862 40.7364
+S   35.4692 35.4400 40.7761
+S   35.4195 35.5072 40.7796
+S   35.3583 35.5569 40.8410
+S   35.3267 35.5347 40.8561
+S   35.3461 35.5573 40.9094
+S   35.3077 35.5707 40.9227
+S   35.3615 35.6167 40.8682
+S   35.3786 35.6627 40.8224
+S   35.4600 35.6663 40.8454
+S   35.5317 35.7198 40.8394
+S   35.5457 35.7057 40.8064
+S   35.6649 35.6604 40.7960
+S   35.6710 35.6301 40.6707
+S   35.6926 35.5839 40.5901
+S   35.5939 35.5898 40.6025
+S   35.5389 35.5516 40.5482
+S   35.5332 35.4635 40.5458
+S   35.5225 35.4371 40.5926
+S   35.4737 35.4466 40.4958
+S   35.5314 35.4633 40.4450
+S   35.5465 35.5140 40.4982
+S   35.4988 35.4821 40.5406
+S   35.4847 35.4837 40.5294
+S   35.4783 35.5451 40.4144
+S   35.5433 35.5688 40.4432
+S   35.5156 35.6053 40.3663
+S   35.5149 35.6168 40.4087
+S   35.5913 35.6226 40.3933
+S   35.6013 35.5464 40.3763
+S   35.5671 35.4324 40.3195
+S   35.4987 35.4178 40.3261
+S   35.4273 35.3950 40.3770
+S   35.4634 35.4258 40.3877
+S   35.5037 35.3533 40.3760
+S   35.5111 35.2228 40.3755
+S   35.4734 34.5767 40.4010
+S   35.3276 32.9575 40.3975
+S   35.2796 31.9319 40.4933
+S   35.2311 31.3144 40.5065
+S   35.1720 31.0486 40.4664
+S   35.1821 30.9196 40.4464
+S   35.1733 30.8967 40.3509
+S   35.3305 30.9544 40.3468
+S   35.4350 31.0095 40.3643
+S   35.4551 31.0465 40.3885
+S   35.4162 31.2426 40.2963
+S   35.4071 31.4746 40.2707
+S   35.4336 31.5939 40.3129
+S   35.5333 31.7057 40.2753
+S   35.5675 31.7990 40.2482
+S   35.5900 31.8970 40.2041
+S   35.5466 31.9315 40.1361
+S   35.6128 31.8844 40.1401
+S   35.6257 31.9425 40.1608
+S   35.5517 32.0502 40.0611
+S   35.5355 32.0934 39.8735
+S   35.5551 32.1687 39.7081
+S   35.5115 32.1690 39.5225
+S   35.5040 32.1876 39.4067
+S   35.4754 32.2362 39.3138
+S   35.5208 32.3262 39.2153
+S   35.6034 32.3659 39.1571
+S   35.5830 32.5232 39.1482
+S   35.4798 32.6448 39.1191
+S   35.4149 32.7287 39.0870
+S   35.3901 32.7169 39.0231
+S   35.3601 32.6880 38.9030
+S   35.3860 32.7118 38.8296
+S   35.4206 32.6918 38.7403
+S   35.3029 32.7088 38.6789
+S   35.1650 32.7043 38.6356
+S   35.1922 32.7784 38.5828
+S   35.2275 32.7917 38.5441
+S   35.3191 32.8027 38.5643
+S   35.4336 32.8426 38.5424
+S   35.5200 32.7896 38.4879
+S   35.6362 32.7374 38.4470
+S   35.6527 32.6625 38.5574
+S   35.7283 32.5467 38.6695
+S   35.5487 32.5585 38.6885
+S   35.4093 32.5465 38.6548
+S   35.3925 32.5610 38.6340
+S   35.4952 32.5762 38.6395
+S   35.6058 32.5695 38.6154
+S   35.6452 32.5640 38.6141
+S   35.6415 32.6199 38.6037
+S   35.6294 32.6240 38.5704
+S   35.6181 32.6338 38.5988
+S   35.6259 32.6146 38.6581
+S   35.5654 32.6306 38.6105
+S   35.5176 32.6581 38.5144
+S   35.5297 32.6660 38.4406
+S   35.5436 32.7496 38.3785
+S   35.5787 32.8263 38.4542
+S   35.6062 32.7459 38.4059
+S   35.6146 32.6193 38.4160
+S   35.6502 32.6425 38.4708
+S   35.6897 32.6517 38.4724
+S   35.7050 32.6073 38.4800
+S   35.6378 32.6141 38.3451
+S   35.6068 32.5553 38.2742
+S   35.6046 32.4810 38.1107
+S   35.6111 32.3857 37.9549
+S   35.6957 32.4214 37.8435
+S   35.8781 32.5155 37.6076
+S   36.0541 32.4191 37.4391
+S   36.0606 32.3260 37.2904
+S   36.0850 32.2809 37.2456
+S   36.1564 32.3511 37.2225
+S   36.4194 32.3232 37.1218
+S   36.6114 32.4370 37.1206
+S   36.7041 32.5908 37.1561
+S   36.8085 32.5832 37.2178
+S   36.9504 32.5383 37.2007
+S   37.1592 32.5842 37.2060
+S   37.2836 32.6510 37.3339
+S   37.4645 32.7267 37.5206
+S   37.5376 32.7476 37.6693
+S   37.6324 32.7073 37.6707
+S   37.6337 32.7054 37.6933
+S   37.6424 32.5884 37.7304
+S   37.7142 32.5717 37.7422
+S   37.8858 32.4623 37.7228
+S   38.0231 32.4230 37.5812
+S   38.0710 32.4800 37.5595
+S   38.0273 32.5431 37.5942
+S   38.0178 32.5932 37.5753
+S   38.0665 32.6212 37.6294
+S   38.0978 32.6568 37.8032
+S   38.1564 32.6529 37.9753
+S   38.1221 32.6329 37.9768
+S   38.0745 32.6922 37.9029
+S   38.0045 32.6663 37.9067
+S   37.8873 32.6499 37.8191
+S   37.8072 32.6512 37.7421
+S   37.8268 32.6450 37.7249
+S   37.8993 32.5642 37.6777
+S   37.9850 32.4440 37.5576
+S   38.0133 32.4109 37.4055
+S   38.0017 32.4625 37.3355
+S   37.9512 32.4077 37.2416
+S   37.8999 32.3637 37.1722
+S   37.8877 32.4351 37.1640
+S   37.8808 32.5432 37.1937
+S   37.8781 32.6981 37.2854
+S   37.9099 32.8053 37.3227
+S   37.9189 32.8320 37.3463
+S   37.9012 32.8635 37.3917
+S   37.9020 32.9186 37.4733
+S   37.8280 32.8826 37.5245
+S   37.8384 32.9153 37.6074
+S   37.7516 32.9472 37.7279
+S   37.7252 32.9619 37.8137
+S   37.7220 32.9718 37.7883
+S   37.6992 32.9147 37.8029
+S   37.6447 32.8867 37.8000
+S   37.6247 32.8595 37.7165
+S   37.4636 32.8094 37.7735
+S   37.2826 32.7076 37.8173
+S   37.1379 32.7025 37.7917
+S   37.0071 32.6092 37.7867
+S   36.9344 32.7097 37.7273
+S   36.8486 32.6487 37.6940
+S   36.8385 32.6917 37.5968
+S   36.8537 32.7827 37.4752
+S   36.9365 32.8623 37.5299
+S   36.8717 32.9087 37.5214
+S   36.7513 32.9138 37.4199
+S   36.6774 32.8455 37.2901
+S   36.5496 32.7155 37.0819
+S   36.3295 32.7206 36.7938
+S   36.1800 32.7979 36.5752
+S   36.0399 32.7225 36.4513
+S   35.9726 32.6587 36.4004
+S   35.7781 32.6330 36.4702
+S   35.6601 32.6645 36.5254
+S   35.5771 32.7759 36.5220
+S   35.5638 32.8191 36.5478
+S   35.5332 32.8734 36.4781
+S   35.5376 32.8860 36.4080
+S   35.5008 32.8681 36.3980
+S   35.4846 32.8424 36.4727
+S   35.4841 32.8408 36.5171
+S   35.5120 32.8275 36.4395
+S   35.6277 32.7850 36.3518
+S   35.5756 32.7742 36.1808
+S   35.5119 32.7330 36.1360
+S   35.5771 32.8098 36.2139
+S   35.6024 32.8414 36.2832
+S   35.5315 32.8384 36.2422
+S   35.4562 32.7747 36.1695
+S   35.4151 32.7042 36.1558
+S   35.4646 32.7289 36.1050
+S   35.5336 32.7684 36.0128
+S   35.6312 32.8144 35.9620
+S   35.7404 32.8679 35.9114
+S   35.7892 32.8371 35.8265
+S   35.8310 32.7045 35.7211
+S   35.8463 32.5376 35.5596
+S   35.8124 32.4062 35.3954
+S   35.7699 32.2951 35.1422
+S   35.7442 32.2279 34.9689

1lf5_ligand_GppNHp_197_dock1/MCpath46.xyz

@@ -0,0 +1,351 @@
+349
+349
+S   34.9316 35.2219 38.9126
+S   34.9662 35.1813 38.8863
+S   34.9584 35.1679 38.9572
+S   34.9185 35.1404 38.9791
+S   34.9556 35.1116 38.9405
+S   35.0541 35.0438 38.9394
+S   35.1120 34.9516 38.9227
+S   35.0607 34.9851 38.8410
+S   34.9271 34.9976 38.8125
+S   34.8534 35.0045 38.8426
+S   34.8043 34.8981 38.8878
+S   34.7930 34.8528 38.9288
+S   34.7874 34.8256 38.8978
+S   34.6685 34.7432 38.8641
+S   34.5581 34.6821 38.8180
+S   34.5721 34.6491 38.7681
+S   34.6694 34.6605 38.6879
+S   34.7417 34.7090 38.7156
+S   34.8389 34.7693 38.7722
+S   34.8276 34.7098 38.7982
+S   34.7643 34.6032 38.7548
+S   34.7084 34.5884 38.6315
+S   34.7007 34.5697 38.5075
+S   34.6522 34.5435 38.4530
+S   34.5743 34.5886 38.4602
+S   34.6226 34.6046 38.5002
+S   34.7443 34.5673 38.6736
+S   34.8501 34.5436 38.7068
+S   34.8715 34.5611 38.7732
+S   34.7885 34.4869 38.8245
+S   34.6578 34.4842 38.7661
+S   34.4988 34.4644 38.6795
+S   34.4644 34.4497 38.5841
+S   34.4850 34.5646 38.5285
+S   34.5768 34.6658 38.4662
+S   34.5789 34.7439 38.4920
+S   34.6253 34.8429 38.5416
+S   34.5387 34.8426 38.5518
+S   34.4274 34.8525 38.6877
+S   34.4091 34.7406 38.7104
+S   34.4078 34.5912 38.6165
+S   34.3487 34.5068 38.5444
+S   34.3005 34.5069 38.5186
+S   34.2089 34.4983 38.5207
+S   34.0804 34.5346 38.5362
+S   33.9631 34.5669 38.6754
+S   33.7781 34.4689 38.7426
+S   33.6416 34.4023 38.7443
+S   33.5317 34.3530 38.7696
+S   33.4758 34.3660 38.7828
+S   33.3407 34.2653 38.7543
+S   33.2458 34.1970 38.6915
+S   33.1567 34.0843 38.6926
+S   33.2351 33.9968 38.6926
+S   33.2894 33.8417 38.7825
+S   33.3875 33.6885 38.9072
+S   33.4858 33.5082 38.9236
+S   33.5154 33.3042 38.8888
+S   33.5774 33.1436 38.9588
+S   33.6680 33.0456 39.0792
+S   33.6652 32.9874 39.1629
+S   33.6303 33.0930 39.2785
+S   33.6079 33.1526 39.4810
+S   33.6054 33.2487 39.6348
+S   33.5521 33.3615 39.8391
+S   33.5430 33.3966 40.0146
+S   33.4458 33.4461 40.1731
+S   33.4084 33.4820 40.3922
+S   33.5032 33.4962 40.4842
+S   33.5260 33.5254 40.5802
+S   33.4822 33.6512 40.7317
+S   33.4920 33.7190 40.8264
+S   33.4588 33.6715 40.8448
+S   33.4599 33.6448 40.9052
+S   33.4560 33.6989 40.9660
+S   33.4020 33.6761 40.9865
+S   33.4225 33.6995 40.9022
+S   33.5054 33.6718 40.8341
+S   33.5110 33.6704 40.7655
+S   33.3784 33.7081 40.7326
+S   33.4041 33.7480 40.7673
+S   33.4646 33.8168 40.8524
+S   33.5061 33.8876 40.9080
+S   33.5359 33.8566 41.0065
+S   33.5245 33.8479 41.0394
+S   33.6042 33.8562 41.0585
+S   33.5843 33.8274 41.1918
+S   33.5506 33.9056 41.3052
+S   33.4877 33.9353 41.4615
+S   33.4625 33.9577 41.5105
+S   33.5296 33.9816 41.4316
+S   33.5557 34.0036 41.4733
+S   33.5042 34.0578 41.6138
+S   33.4584 34.0874 41.8020
+S   33.4648 34.0402 41.9024
+S   33.3327 34.0384 41.9814
+S   33.2574 34.1016 41.9867
+S   33.2010 34.0815 42.0509
+S   33.2014 33.8842 42.0486
+S   33.2415 33.8143 42.0634
+S   33.1200 33.8760 42.0454
+S   32.9008 33.8782 41.8920
+S   32.7416 33.7529 41.7946
+S   32.6063 33.6292 41.7756
+S   32.4180 33.5043 41.7511
+S   32.2521 33.3939 41.7350
+S   32.2451 33.3437 41.7774
+S   32.1225 33.2622 41.8007
+S   32.0525 33.2709 41.7061
+S   32.0354 33.3335 41.5692
+S   32.0769 33.3234 41.4974
+S   32.1594 33.3733 41.4469
+S   32.2030 33.4406 41.3803
+S   32.1606 33.4983 41.3065
+S   32.0753 33.5680 41.3647
+S   31.9986 33.5959 41.4151
+S   31.9439 33.5050 41.5797
+S   31.8249 33.4881 41.6354
+S   31.6997 33.5643 41.6976
+S   31.6515 33.5572 41.7329
+S   31.6299 33.6102 41.7568
+S   31.5277 33.6178 41.6552
+S   31.5478 33.6942 41.6199
+S   31.5587 33.7827 41.6036
+S   31.5778 33.7293 41.5558
+S   31.4864 33.5897 41.5624
+S   31.4485 33.5794 41.6319
+S   31.3260 33.6355 41.6713
+S   31.3305 33.6583 41.6998
+S   31.4469 33.6688 41.7558
+S   31.4739 33.7304 41.7420
+S   31.3583 33.7392 41.6689
+S   31.2096 33.7397 41.6950
+S   31.1217 33.7499 41.7927
+S   31.0328 33.8073 41.9399
+S   30.9731 33.8631 42.0274
+S   30.9339 33.8682 41.9691
+S   30.9049 33.9302 41.8228
+S   30.9184 33.8887 41.7225
+S   30.9329 33.7708 41.6422
+S   30.9449 33.7288 41.5119
+S   30.9548 33.8145 41.4853
+S   30.9468 33.8854 41.5712
+S   30.8500 33.8072 41.6901
+S   30.7687 33.6893 41.7102
+S   30.6900 33.6366 41.6384
+S   30.7790 33.4908 41.6366
+S   30.7792 33.4165 41.5717
+S   30.6990 33.3615 41.4791
+S   30.5394 33.2258 41.4209
+S   30.4648 33.1055 41.3984
+S   30.5389 33.0038 41.3512
+S   30.6791 32.8993 41.2964
+S   30.8087 32.8238 41.2039
+S   30.9548 32.6871 41.1501
+S   31.0455 32.6305 40.9960
+S   31.1316 32.5440 40.8547
+S   31.2574 32.4849 40.6572
+S   31.4626 32.3914 40.5401
+S   31.6830 32.1810 40.3838
+S   31.8613 32.1300 40.3778
+S   32.0585 32.2743 40.4601
+S   32.1157 32.3922 40.3717
+S   32.0395 32.3730 40.2812
+S   32.0250 32.3385 40.2296
+S   32.0555 32.3225 40.0827
+S   32.0704 32.3732 40.0013
+S   32.0360 32.5412 39.9232
+S   32.0654 32.7287 39.9286
+S   32.0191 32.7875 39.9466
+S   32.0268 32.8360 39.9098
+S   32.0115 32.8403 39.9753
+S   31.9264 32.9006 39.9880
+S   31.9146 32.9865 39.9136
+S   31.9554 32.9312 39.8531
+S   31.9907 32.8631 39.7766
+S   31.9513 32.7620 39.7027
+S   31.8421 32.7026 39.6803
+S   31.6704 32.7371 39.6653
+S   31.5867 32.8393 39.5929
+S   31.5582 32.8656 39.6083
+S   31.6039 32.8386 39.6010
+S   31.6960 32.8545 39.6337
+S   31.6655 32.8244 39.6151
+S   31.5943 32.7859 39.5629
+S   31.4841 32.7749 39.4703
+S   31.4556 32.7524 39.4745
+S   31.4487 32.6719 39.4889
+S   31.3958 32.6989 39.5055
+S   31.3273 32.7138 39.5524
+S   31.2687 32.6676 39.6086
+S   31.2582 32.6685 39.6716
+S   31.2404 32.5517 39.6803
+S   31.2971 32.4278 39.5940
+S   31.3826 32.3092 39.5412
+S   31.4140 32.1805 39.5055
+S   31.4199 32.0188 39.5707
+S   31.3518 31.8916 39.6831
+S   31.3675 31.6035 39.8137
+S   31.4160 31.3336 39.9169
+S   31.4736 31.2044 40.0231
+S   31.5111 31.1377 40.0683
+S   31.5155 31.0411 40.1859
+S   31.5241 30.9319 40.2748
+S   31.5501 30.7968 40.4491
+S   31.5589 30.7046 40.4952
+S   31.5927 30.6563 40.5952
+S   31.6199 30.6423 40.6791
+S   31.6006 30.5130 40.7037
+S   31.5000 30.4204 40.7209
+S   31.4021 30.3016 40.7277
+S   31.4130 30.2563 40.7848
+S   31.3563 30.2889 40.8174
+S   31.2498 30.3322 40.8491
+S   31.1502 30.3177 40.9091
+S   31.1356 30.4244 40.8686
+S   31.0853 30.6289 40.8558
+S   31.0303 30.7745 40.8009
+S   30.9560 30.7879 40.7105
+S   30.8691 30.7842 40.7006
+S   30.8703 30.7068 40.8478
+S   30.7724 30.6495 40.8968
+S   30.6896 30.6349 40.9194
+S   30.5818 30.5872 40.9229
+S   30.4008 30.5211 40.8082
+S   30.2271 30.4857 40.7015
+S   30.2003 30.4541 40.6661
+S   30.2225 30.5053 40.7135
+S   30.2261 30.5189 40.7968
+S   30.2704 30.5152 40.8615
+S   30.2555 30.4300 40.9104
+S   30.3585 30.3809 40.9008
+S   30.3796 30.3380 40.8487
+S   30.3716 30.3495 40.7476
+S   30.3531 30.3574 40.7173
+S   30.2888 30.3645 40.6741
+S   30.1280 30.3806 40.6792
+S   30.0071 30.5095 40.7072
+S   29.8611 30.5838 40.6207
+S   29.7403 30.6131 40.4891
+S   29.7317 30.6945 40.3269
+S   29.6758 30.7792 40.2035
+S   29.6645 30.7701 40.1862
+S   29.6980 30.7516 40.2044
+S   29.5818 30.7618 40.2911
+S   29.4565 30.8652 40.3085
+S   29.3029 30.9975 40.3376
+S   29.2320 31.0245 40.3539
+S   29.2677 31.0917 40.4631
+S   29.2387 31.1392 40.5698
+S   29.2461 31.1781 40.6402
+S   29.3823 31.1058 40.6179
+S   29.3956 31.0862 40.6454
+S   29.2941 31.0957 40.6720
+S   29.2182 31.1542 40.6324
+S   29.1296 31.1690 40.6870
+S   29.0117 31.2326 40.7583
+S   29.0295 31.3216 40.7275
+S   29.0331 31.3750 40.7249
+S   29.0120 31.5954 40.7361
+S   29.0596 31.6730 40.7269
+S   29.1424 31.6894 40.7033
+S   29.1792 31.8120 40.6887
+S   29.1159 31.9566 40.6058
+S   29.1176 32.0708 40.5598
+S   29.1396 32.1780 40.5975
+S   29.0959 32.1333 40.6114
+S   28.9606 32.0689 40.5267
+S   28.8855 32.0450 40.5888
+S   28.8453 32.1020 40.5310
+S   28.7105 32.1622 40.4612
+S   28.6494 32.2324 40.5445
+S   28.6166 32.3016 40.6949
+S   28.5719 32.4623 40.8200
+S   28.5578 32.6421 40.8780
+S   28.5797 32.7268 40.9000
+S   28.5696 32.7621 41.0050
+S   28.5113 32.7786 41.0675
+S   28.4756 32.7955 41.1618
+S   28.4574 32.7010 41.3392
+S   28.3438 32.6477 41.5154
+S   28.1483 32.6096 41.6439
+S   28.0886 32.5592 41.7009
+S   27.9800 32.5180 41.7166
+S   28.0116 32.4505 41.6692
+S   27.9858 32.4383 41.5799
+S   27.9284 32.3786 41.5788
+S   27.8937 32.3468 41.5812
+S   27.8012 32.3041 41.6437
+S   27.6943 32.3514 41.7396
+S   27.6817 32.3705 41.7785
+S   27.6466 32.3024 41.7398
+S   27.6238 32.3042 41.6212
+S   27.6166 32.3902 41.6417
+S   27.4827 32.4536 41.6974
+S   27.3713 32.4066 41.8297
+S   27.3171 32.3782 41.8488
+S   27.2118 32.2976 41.8748
+S   27.1279 32.2352 41.7948
+S   27.1328 32.1471 41.7106
+S   27.1118 31.9333 41.6903
+S   27.0541 31.7628 41.6847
+S   27.0475 31.6828 41.7370
+S   27.0259 31.6011 41.7785
+S   26.9910 31.5974 41.7960
+S   27.0145 31.6232 41.8038
+S   27.0197 31.5811 41.8237
+S   26.9405 31.4888 41.8111
+S   26.8878 31.3958 41.8280
+S   26.7776 31.2635 41.8887
+S   26.7255 31.1611 42.0283
+S   26.8083 31.0835 42.0305
+S   26.8242 30.8388 42.0133
+S   26.9593 30.5818 41.9049
+S   27.1428 30.4490 41.7826
+S   27.2313 30.3560 41.6569
+S   27.2148 30.2948 41.5730
+S   27.3111 30.1988 41.5955
+S   27.2977 30.1347 41.6836
+S   27.2585 30.1107 41.7355
+S   27.3219 30.0637 41.8328
+S   27.3542 30.0858 41.9330
+S   27.3443 30.0920 42.0071
+S   27.3387 30.0401 42.1224
+S   27.3827 30.0215 42.1726
+S   27.4517 29.8640 42.1898
+S   27.4446 29.7178 42.2541
+S   27.4602 29.6023 42.2413
+S   27.4612 29.5079 42.2887
+S   27.4354 29.4267 42.3855
+S   27.4618 29.4110 42.3897
+S   27.4862 29.4531 42.4571
+S   27.4814 29.3991 42.5726
+S   27.5198 29.2694 42.6580
+S   27.5603 29.1632 42.7548
+S   27.6748 29.1805 42.7105
+S   27.8033 29.2160 42.7428
+S   27.8504 29.2722 42.6336
+S   27.8721 29.2109 42.5234
+S   27.8486 29.0746 42.5268
+S   27.8163 28.9553 42.5685
+S   27.7855 28.9268 42.5408
+S   27.8363 28.7665 42.5465
+S   27.8145 28.6249 42.6077
+S   27.7207 28.5894 42.5583
+S   27.6221 28.5183 42.5173
+S   27.5788 28.4339 42.5976
+S   27.5895 28.3560 42.6680
+S   27.6521 28.2629 42.7122

1lf5_ligand_GppNHp_197_dock1/MCpath47.xyz

@@ -0,0 +1,215 @@
+213
+213
+S   35.2553 35.1417 38.8843
+S   35.2596 35.1104 38.8563
+S   35.2670 35.1336 38.8127
+S   35.3178 35.0369 38.8411
+S   35.4107 34.9994 38.8522
+S   35.4598 34.9898 38.8091
+S   35.4615 34.9759 38.7845
+S   35.4792 34.8418 38.7663
+S   35.4052 34.7797 38.7513
+S   35.2716 34.8674 38.7459
+S   35.2461 34.9210 38.7366
+S   35.2330 34.8212 38.7391
+S   35.2083 34.7291 38.7029
+S   35.2253 34.7100 38.6698
+S   35.2691 34.6257 38.7582
+S   35.2537 34.5326 38.7808
+S   35.1871 34.4718 38.7371
+S   35.1440 34.5009 38.7434
+S   35.1583 34.5112 38.7371
+S   35.1986 34.5233 38.7803
+S   35.3454 34.5944 38.7394
+S   35.4287 34.7862 38.7061
+S   35.4194 34.7662 38.6956
+S   35.4061 34.7367 38.6642
+S   35.4545 34.6690 38.5594
+S   35.5203 34.6913 38.4896
+S   35.5525 34.7002 38.4397
+S   35.5867 34.6962 38.2607
+S   35.6898 34.6204 38.1861
+S   35.7880 34.5940 38.3185
+S   35.8702 34.5409 38.5124
+S   35.8053 34.5524 38.6175
+S   35.7380 34.6064 38.6746
+S   35.7678 34.6231 38.6606
+S   35.7049 34.5657 38.7141
+S   35.5928 34.5915 38.5974
+S   35.5033 34.6067 38.4867
+S   35.4833 34.7215 38.4756
+S   35.5394 34.7331 38.4211
+S   35.5165 34.6405 38.3494
+S   35.5423 34.5870 38.4437
+S   35.6148 34.4678 38.5441
+S   35.5751 34.4272 38.5278
+S   35.5151 34.4481 38.5271
+S   35.5618 34.3928 38.5660
+S   35.5702 34.2863 38.5750
+S   35.5142 34.3194 38.6338
+S   35.4914 34.2906 38.5855
+S   35.5107 34.3504 38.6036
+S   35.5212 34.4337 38.5022
+S   35.4874 34.5705 38.4614
+S   35.4760 34.5932 38.4513
+S   35.5361 34.5573 38.3778
+S   35.6428 34.5372 38.4579
+S   35.6483 34.5523 38.3483
+S   35.6646 34.5332 38.3167
+S   35.6588 34.5841 38.3756
+S   35.6819 34.6325 38.4328
+S   35.6510 34.6678 38.5034
+S   35.5864 34.6500 38.5733
+S   35.6527 34.6038 38.5559
+S   35.7078 34.6567 38.4884
+S   35.6954 34.7749 38.4236
+S   35.6900 34.7956 38.4315
+S   35.7553 34.7325 38.4248
+S   35.7756 34.7610 38.3484
+S   35.6697 34.7824 38.4532
+S   35.5617 34.7451 38.3878
+S   35.6248 34.6148 38.2890
+S   35.5823 34.5389 38.2290
+S   35.4218 34.4089 38.2119
+S   35.4105 34.3250 38.1652
+S   35.4101 34.3588 38.2268
+S   35.3243 34.5044 38.1808
+S   35.1761 34.5538 38.2421
+S   35.1348 34.6377 38.2993
+S   35.2006 34.7265 38.3696
+S   35.2125 34.7993 38.4488
+S   35.2768 34.7806 38.3671
+S   35.3669 34.7412 38.3540
+S   35.3992 34.6606 38.3345
+S   35.3946 34.5778 38.3091
+S   35.3247 34.5560 38.3993
+S   35.3527 34.5228 38.4745
+S   35.3730 34.5156 38.4680
+S   35.4348 34.4968 38.4826
+S   35.5346 34.4796 38.4955
+S   35.5415 34.5037 38.4268
+S   35.4629 34.4815 38.4421
+S   35.4453 34.4651 38.5732
+S   35.4772 34.4374 38.6258
+S   35.4716 34.3911 38.6092
+S   35.5164 34.3450 38.5159
+S   35.5323 34.4138 38.5591
+S   35.6107 34.4091 38.4522
+S   35.7356 34.4954 38.3062
+S   35.7905 34.5464 38.3765
+S   35.9268 34.5814 38.4585
+S   35.9736 34.5211 38.5125
+S   35.8288 34.4908 38.5221
+S   35.7374 34.5453 38.5032
+S   35.7253 34.6004 38.5210
+S   35.7910 34.5861 38.5442
+S   35.7768 34.5442 38.5100
+S   35.6496 34.5276 38.4880
+S   35.5512 34.5012 38.3866
+S   35.6527 34.4697 38.4001
+S   35.5865 34.4263 38.3940
+S   35.5128 34.3382 38.4565
+S   35.5510 34.3196 38.4816
+S   35.5928 34.3158 38.4695
+S   35.5684 34.3427 38.3398
+S   35.4862 34.3343 38.2918
+S   35.4542 34.2796 38.3586
+S   35.5576 34.2910 38.4124
+S   35.6240 34.4534 38.5208
+S   35.6500 34.4889 38.5527
+S   35.6235 34.4867 38.5370
+S   35.5585 34.5166 38.6086
+S   35.4996 34.5280 38.6245
+S   35.4873 34.4852 38.5427
+S   35.3825 34.3848 38.5112
+S   35.3508 34.3572 38.5188
+S   35.4495 34.3741 38.4998
+S   35.5537 34.3918 38.5374
+S   35.5356 34.3744 38.5558
+S   35.6551 34.3026 38.5656
+S   35.7100 34.2713 38.4666
+S   35.6742 34.1940 38.4065
+S   35.6105 33.8949 38.3656
+S   35.5632 33.1401 38.4522
+S   35.5288 32.4280 38.6234
+S   35.4707 31.8717 38.5731
+S   35.3658 31.6415 38.5955
+S   35.3436 31.7194 38.6335
+S   35.3197 31.9349 38.6550
+S   35.3015 32.0654 38.6596
+S   35.2764 32.2505 38.6644
+S   35.2262 32.1919 38.7177
+S   35.2266 32.1437 38.7190
+S   35.3063 32.1266 38.7112
+S   35.3529 32.2818 38.6217
+S   35.3607 32.2363 38.5915
+S   35.3988 32.1302 38.5330
+S   35.4390 32.0449 38.5032
+S   35.4226 32.0807 38.3906
+S   35.4081 32.0927 38.3367
+S   35.4486 32.1053 38.3519
+S   35.5832 32.1287 38.3341
+S   35.7317 32.1714 38.3348
+S   35.7725 32.2167 38.2698
+S   35.7048 32.2031 38.2298
+S   35.6936 32.1456 38.2435
+S   35.6731 32.0189 38.3043
+S   35.6888 31.8818 38.3203
+S   35.6816 31.7823 38.3197
+S   35.5831 31.6718 38.3598
+S   35.5386 31.6520 38.4035
+S   35.5070 31.6283 38.4823
+S   35.5033 31.5099 38.5418
+S   35.4585 31.4816 38.4985
+S   35.3819 31.5742 38.5380
+S   35.2284 31.6213 38.5999
+S   35.1548 31.6247 38.7113
+S   35.1350 31.6706 38.7454
+S   35.1839 31.7228 38.6458
+S   35.2592 31.7219 38.5830
+S   35.3495 31.5830 38.5536
+S   35.3395 31.4978 38.4953
+S   35.3265 31.4110 38.4275
+S   35.4004 31.3342 38.4463
+S   35.3958 31.2067 38.4554
+S   35.3257 31.0690 38.4695
+S   35.2817 30.9013 38.5342
+S   35.2798 30.7130 38.6143
+S   35.2996 30.5639 38.6526
+S   35.3190 30.4933 38.6764
+S   35.3546 30.4626 38.6670
+S   35.4281 30.4227 38.6752
+S   35.5155 30.3602 38.6523
+S   35.5628 30.2270 38.7425
+S   35.5996 30.1784 38.8087
+S   35.6518 30.1948 38.8504
+S   35.6280 30.1760 38.8845
+S   35.5780 30.0766 38.7793
+S   35.5298 30.0604 38.6754
+S   35.5261 30.0562 38.5758
+S   35.5722 30.0999 38.4857
+S   35.6218 30.1407 38.4733
+S   35.6435 30.0913 38.5518
+S   35.6388 30.0326 38.6342
+S   35.6305 29.9295 38.6673
+S   35.5687 29.7690 38.6320
+S   35.5043 29.5537 38.6172
+S   35.4790 29.3493 38.6341
+S   35.4513 29.1477 38.6251
+S   35.4629 29.1150 38.5917
+S   35.4933 29.1426 38.6817
+S   35.4978 29.1647 38.8329
+S   35.4817 29.1834 38.8725
+S   35.5518 29.1624 38.9356
+S   35.6051 29.1616 38.9962
+S   35.6324 29.0657 38.9387
+S   35.5793 28.9817 38.8723
+S   35.6291 28.9449 38.9011
+S   35.6224 28.9183 38.9611
+S   35.6141 28.9296 39.0350
+S   35.5820 28.9310 39.0513
+S   35.5347 28.9189 39.0599
+S   35.4664 28.8011 39.0820
+S   35.3471 28.6142 39.0850
+S   35.3527 28.3702 39.0706
+S   35.3991 28.2666 39.1164

1lf5_ligand_GppNHp_197_dock1/MCpath48.xyz

@@ -0,0 +1,150 @@
+148
+148
+S   35.2426 35.3246 39.0486
+S   35.1377 35.3240 39.0387
+S   35.0757 35.2130 38.9631
+S   35.0724 35.1902 38.8915
+S   35.0653 35.2647 38.9498
+S   35.1333 35.3347 38.9769
+S   35.2260 35.4110 39.0056
+S   35.2913 35.4129 38.9707
+S   35.2953 35.4647 38.9401
+S   35.2733 35.5022 38.9231
+S   35.2368 35.4811 38.9037
+S   35.2033 35.4680 38.9125
+S   35.2178 35.4404 38.9342
+S   35.2346 35.4821 39.0590
+S   35.2701 35.6042 39.1107
+S   35.3757 35.6519 39.1784
+S   35.4705 35.5893 39.1180
+S   35.4934 35.5786 39.0306
+S   35.4688 35.6067 38.8592
+S   35.4934 35.6756 38.7750
+S   35.4211 35.6708 38.6520
+S   35.2835 35.6105 38.5048
+S   35.2616 35.6683 38.4409
+S   35.3592 35.6859 38.4594
+S   35.3539 35.7008 38.4526
+S   35.3334 35.6721 38.4726
+S   35.3346 35.6798 38.5683
+S   35.3593 35.6729 38.6912
+S   35.3838 35.6082 38.6776
+S   35.4243 35.5627 38.6888
+S   35.5244 35.5826 38.5508
+S   35.5763 35.6051 38.4333
+S   35.6604 35.5767 38.3628
+S   35.6444 35.4980 38.3278
+S   35.5480 35.4782 38.2543
+S   35.4403 35.4507 38.2845
+S   35.4261 35.4399 38.3019
+S   35.3819 35.4286 38.3504
+S   35.3845 35.3568 38.5460
+S   35.3833 35.3808 38.6375
+S   35.4499 35.4272 38.6751
+S   35.5751 35.3479 38.6022
+S   35.5362 35.3174 38.5466
+S   35.6058 35.2559 38.5556
+S   35.7035 35.2466 38.6267
+S   35.7618 35.2005 38.6689
+S   35.7515 35.0164 38.6811
+S   35.7279 34.6339 38.6447
+S   35.5818 34.3755 38.5252
+S   35.3514 34.0721 38.5262
+S   35.1840 33.8719 38.4932
+S   35.2074 33.7481 38.5604
+S   35.2209 33.7663 38.6042
+S   35.2611 33.8410 38.6490
+S   35.2814 33.8383 38.6251
+S   35.3453 33.8145 38.5821
+S   35.3388 33.8072 38.5944
+S   35.3226 33.7914 38.6104
+S   35.4244 33.7986 38.6050
+S   35.5075 33.8217 38.5316
+S   35.4846 33.8218 38.5254
+S   35.4992 33.8053 38.5872
+S   35.5663 33.7971 38.6142
+S   35.5268 33.6921 38.5597
+S   35.4511 33.5557 38.6420
+S   35.4102 33.4818 38.7126
+S   35.3511 33.3851 38.6451
+S   35.3208 33.3642 38.6127
+S   35.3454 33.3437 38.6037
+S   35.3819 33.3781 38.5380
+S   35.3988 33.3307 38.5214
+S   35.3483 33.2932 38.4898
+S   35.3728 33.2214 38.5043
+S   35.3975 33.1047 38.5548
+S   35.3605 33.0403 38.5981
+S   35.3522 33.0463 38.5891
+S   35.3320 33.0460 38.5866
+S   35.3062 33.0208 38.6232
+S   35.3975 32.9149 38.6107
+S   35.3830 32.8304 38.6242
+S   35.4093 32.6726 38.5799
+S   35.4559 32.5733 38.5388
+S   35.3995 32.4232 38.5563
+S   35.3580 32.2656 38.5087
+S   35.2833 32.2155 38.5154
+S   35.2760 32.2353 38.6382
+S   35.2671 32.1956 38.6907
+S   35.3093 32.2486 38.6981
+S   35.3310 32.2529 38.6553
+S   35.3228 32.2590 38.5717
+S   35.2745 32.2326 38.4805
+S   35.2889 32.2899 38.5133
+S   35.3157 32.3617 38.4452
+S   35.3671 32.3650 38.4386
+S   35.4336 32.3658 38.4465
+S   35.3815 32.3390 38.4669
+S   35.3952 32.3275 38.4772
+S   35.5305 32.3101 38.4624
+S   35.6383 32.3942 38.3717
+S   35.6696 32.4795 38.3400
+S   35.6591 32.5325 38.2668
+S   35.6137 32.5303 38.3231
+S   35.6920 32.5347 38.3177
+S   35.7429 32.4655 38.3098
+S   35.7639 32.3650 38.3969
+S   35.7914 32.1861 38.4464
+S   35.7629 31.9214 38.4929
+S   35.6723 31.6511 38.4642
+S   35.6156 31.3913 38.4479
+S   35.5562 31.0868 38.4848
+S   35.4840 30.8745 38.3802
+S   35.4135 30.7210 38.3160
+S   35.4463 30.6511 38.2927
+S   35.5041 30.5960 38.3196
+S   35.5022 30.4920 38.2662
+S   35.4806 30.4011 38.2743
+S   35.4196 30.2473 38.2919
+S   35.3285 30.1822 38.3585
+S   35.2521 30.2515 38.3856
+S   35.2652 30.2875 38.3212
+S   35.3603 30.3420 38.2464
+S   35.4419 30.2834 38.2911
+S   35.4206 30.3085 38.3546
+S   35.4294 30.3195 38.3947
+S   35.4808 30.2363 38.3600
+S   35.5175 30.0886 38.3641
+S   35.4819 29.8935 38.3811
+S   35.4360 29.8013 38.4220
+S   35.3083 29.7192 38.5217
+S   35.2011 29.6047 38.5932
+S   35.1618 29.5425 38.6761
+S   35.1930 29.4102 38.6832
+S   35.2148 29.3200 38.7052
+S   35.2511 29.2494 38.6910
+S   35.1724 29.1664 38.6717
+S   35.2344 29.1298 38.6215
+S   35.3053 29.0378 38.4898
+S   35.3250 28.9938 38.4142
+S   35.3465 29.0382 38.3227
+S   35.2698 29.0785 38.2002
+S   35.2637 29.1980 38.2207
+S   35.2194 29.1616 38.2798
+S   35.2162 29.0967 38.3632
+S   35.2182 28.9408 38.3424
+S   35.2350 28.7713 38.3298
+S   35.2605 28.5920 38.3178
+S   35.3005 28.3860 38.3233
+S   35.3406 28.1851 38.3802

1lf5_ligand_GppNHp_197_dock1/MCpath49.xyz

@@ -0,0 +1,205 @@
+203
+203
+S   35.2821 35.0964 39.1137
+S   35.2608 35.1021 38.9916
+S   35.2617 35.0793 38.9422
+S   35.2495 35.0577 38.9352
+S   35.2535 35.0383 38.9646
+S   35.3526 35.0280 38.9762
+S   35.4757 35.0251 38.9685
+S   35.5025 35.0215 38.9397
+S   35.5173 35.0273 38.9498
+S   35.4783 35.0455 38.9299
+S   35.5439 35.1317 38.9688
+S   35.5717 35.1953 38.9597
+S   35.4987 35.2959 38.9150
+S   35.4164 35.4099 38.7328
+S   35.4036 35.6084 38.6060
+S   35.3742 35.7316 38.5658
+S   35.3089 35.7772 38.5731
+S   35.3994 35.7580 38.5699
+S   35.3984 35.7163 38.6446
+S   35.3525 35.6132 38.6061
+S   35.3465 35.4939 38.5324
+S   35.3662 35.5070 38.5482
+S   35.3829 35.4899 38.5515
+S   35.4452 35.5151 38.5426
+S   35.3839 35.5264 38.5916
+S   35.3561 35.4358 38.6181
+S   35.4113 35.5167 38.6043
+S   35.4263 35.4317 38.6454
+S   35.4306 35.3808 38.7304
+S   35.3332 35.4355 38.7802
+S   35.2620 35.4238 38.7408
+S   35.2081 35.4738 38.6819
+S   35.2412 35.5223 38.7136
+S   35.3552 35.5167 38.7459
+S   35.4910 35.5801 38.6993
+S   35.5465 35.6232 38.6766
+S   35.6130 35.6154 38.6575
+S   35.7117 35.5922 38.5353
+S   35.7770 35.6509 38.4426
+S   35.6691 35.6152 38.3542
+S   35.6851 35.4459 38.3203
+S   35.7253 35.4004 38.3500
+S   35.6637 35.3754 38.3959
+S   35.5765 35.4179 38.3923
+S   35.4331 35.4182 38.4369
+S   35.3954 35.4907 38.4640
+S   35.4379 35.4670 38.4979
+S   35.4330 35.4473 38.5039
+S   35.3826 35.4768 38.4296
+S   35.3405 35.5386 38.4435
+S   35.3065 35.5733 38.4257
+S   35.3662 35.5765 38.4978
+S   35.4506 35.5837 38.5976
+S   35.4814 35.6610 38.5829
+S   35.4736 35.7048 38.5593
+S   35.3503 35.6349 38.5590
+S   35.2791 35.5785 38.6579
+S   35.2137 35.5068 38.7219
+S   35.2604 35.6033 38.6820
+S   35.3260 35.6245 38.6312
+S   35.3547 35.6455 38.6137
+S   35.4748 35.5739 38.6246
+S   35.5570 35.4551 38.6947
+S   35.5115 35.4683 38.6184
+S   35.3348 35.5245 38.5802
+S   35.2899 35.4697 38.5488
+S   35.3780 35.5170 38.5507
+S   35.4808 35.4934 38.5143
+S   35.5244 35.4999 38.5295
+S   35.4716 35.5838 38.4785
+S   35.5071 35.5870 38.4038
+S   35.5733 35.5468 38.4220
+S   35.5918 35.4808 38.4715
+S   35.6420 35.4375 38.4713
+S   35.6692 35.3949 38.4841
+S   35.6430 35.4235 38.4537
+S   35.6677 35.4861 38.4773
+S   35.7892 35.4788 38.4653
+S   35.9089 35.4960 38.4162
+S   35.9177 35.5168 38.4123
+S   35.8752 35.5340 38.4739
+S   35.8389 35.4604 38.4472
+S   35.7402 35.4617 38.4606
+S   35.6694 35.5303 38.5488
+S   35.5733 35.5295 38.5157
+S   35.5155 35.5353 38.5478
+S   35.4051 35.4777 38.5671
+S   35.2626 35.4352 38.6217
+S   35.2806 35.3878 38.6534
+S   35.3568 35.3116 38.6075
+S   35.3904 35.3337 38.4867
+S   35.4967 35.3588 38.4063
+S   35.5660 35.3941 38.4190
+S   35.6443 35.3241 38.4713
+S   35.7886 35.3318 38.4513
+S   35.8848 35.3539 38.4290
+S   35.8770 35.4398 38.4680
+S   35.8753 35.5406 38.4346
+S   35.7962 35.6719 38.4317
+S   35.7080 35.8203 38.3554
+S   35.5660 35.7381 38.3117
+S   35.4521 35.6285 38.2766
+S   35.5014 35.5196 38.2926
+S   35.4482 35.4746 38.2959
+S   35.4520 35.4804 38.2599
+S   35.5690 35.4219 38.2705
+S   35.7318 35.4324 38.2948
+S   35.7903 35.5277 38.3519
+S   35.8444 35.6388 38.3829
+S   35.8546 35.6858 38.3515
+S   35.8049 35.5586 38.3158
+S   35.7104 35.3582 38.3784
+S   35.6716 35.3098 38.4726
+S   35.6584 35.3403 38.5302
+S   35.6132 35.3947 38.5477
+S   35.5253 35.4225 38.5733
+S   35.4344 35.4113 38.5989
+S   35.3845 35.3970 38.5395
+S   35.4345 35.4935 38.5329
+S   35.5493 35.5916 38.4687
+S   35.5874 35.5824 38.3168
+S   35.5108 35.5791 38.1983
+S   35.4192 35.5299 37.9942
+S   35.4513 35.5728 37.3525
+S   35.5663 35.5319 36.7233
+S   35.6693 35.3385 36.5473
+S   35.7626 35.1787 36.4087
+S   35.8884 35.0037 36.2141
+S   36.0083 34.7850 36.0152
+S   36.0178 34.6075 36.0645
+S   36.0764 34.6427 36.1517
+S   36.1623 34.5882 36.1695
+S   36.2366 34.5477 36.1882
+S   36.2419 34.4778 36.2601
+S   36.1909 34.3994 36.2853
+S   36.2785 34.2717 36.2792
+S   36.3670 34.1569 36.3063
+S   36.3844 34.0675 36.3448
+S   36.4211 33.8482 36.4940
+S   36.4019 33.6025 36.7483
+S   36.3886 33.3903 36.9007
+S   36.4192 33.2549 36.9897
+S   36.4085 33.1258 37.0624
+S   36.4094 33.0881 37.1113
+S   36.3843 33.0206 37.1031
+S   36.4856 32.9176 37.0731
+S   36.4965 32.9105 37.0159
+S   36.5244 32.9770 36.9263
+S   36.5197 33.0531 36.7698
+S   36.5216 33.1537 36.5492
+S   36.5315 33.1973 36.4193
+S   36.5977 33.2445 36.3734
+S   36.7484 33.3519 36.3682
+S   36.8494 33.3980 36.4012
+S   37.0170 33.3741 36.3886
+S   37.0732 33.4046 36.3749
+S   37.0726 33.3084 36.3718
+S   37.0650 33.2018 36.4073
+S   37.0364 33.0356 36.4505
+S   36.9249 32.8788 36.4536
+S   36.8269 32.6365 36.3981
+S   36.7064 32.3797 36.2949
+S   36.6526 32.1851 36.2960
+S   36.6274 32.0408 36.3227
+S   36.6938 31.9095 36.3211
+S   36.7460 31.8042 36.4082
+S   36.7392 31.7210 36.4491
+S   36.7206 31.7717 36.4178
+S   36.7074 31.7461 36.4407
+S   36.6514 31.6948 36.4953
+S   36.6066 31.6202 36.5409
+S   36.5293 31.5147 36.5238
+S   36.4378 31.4592 36.4969
+S   36.3584 31.3194 36.4119
+S   36.3768 31.2796 36.4727
+S   36.4291 31.2075 36.5108
+S   36.4791 31.2614 36.5737
+S   36.5836 31.3137 36.6128
+S   36.6637 31.3036 36.5932
+S   36.7356 31.2848 36.4380
+S   36.7302 31.2129 36.3577
+S   36.6887 31.1199 36.3538
+S   36.7592 31.0081 36.2969
+S   36.9032 30.9225 36.2827
+S   36.9311 30.7896 36.3386
+S   36.8712 30.7075 36.4831
+S   36.7593 30.5420 36.6322
+S   36.7125 30.3609 36.7569
+S   36.6682 30.2276 36.7947
+S   36.6438 30.1636 36.8573
+S   36.5382 30.1472 36.9541
+S   36.4450 30.1884 37.0396
+S   36.2501 30.2426 37.0518
+S   36.1661 30.3095 37.0458
+S   36.1535 30.3195 37.0334
+S   36.1313 30.2534 36.9854
+S   36.1785 30.1171 36.8156
+S   36.2269 30.0005 36.6830
+S   36.3895 29.9540 36.6153
+S   36.5979 29.7676 36.5914
+S   36.7340 29.6239 36.6452
+S   36.7513 29.3880 36.6865
+S   36.7860 29.1712 36.7312

1lf5_ligand_GppNHp_197_dock1/MCpath5.xyz

@@ -0,0 +1,201 @@
+199
+199
+S   34.9750 35.5173 38.9500
+S   35.0350 35.4296 38.9759
+S   35.0698 35.3610 38.9734
+S   35.0593 35.3176 38.9230
+S   35.1250 35.3509 38.9256
+S   35.1128 35.2950 38.9955
+S   35.1207 35.3035 38.9780
+S   35.0842 35.3733 38.9995
+S   34.9904 35.5254 38.9244
+S   34.9731 35.6167 38.8310
+S   34.9446 35.5924 38.7491
+S   34.8416 35.5391 38.6498
+S   34.8006 35.4803 38.6137
+S   34.8250 35.4652 38.5450
+S   34.8717 35.4481 38.4678
+S   34.9526 35.4767 38.4508
+S   34.8978 35.4821 38.5080
+S   34.7695 35.4863 38.5167
+S   34.7046 35.4812 38.6010
+S   34.6503 35.3926 38.6789
+S   34.6405 35.2543 38.7462
+S   34.7030 35.2708 38.7864
+S   34.7513 35.3299 38.7134
+S   34.7576 35.3908 38.6375
+S   34.8607 35.3877 38.6514
+S   34.8460 35.4264 38.6813
+S   34.7928 35.3448 38.6426
+S   34.8206 35.3480 38.6172
+S   34.8214 35.3580 38.6228
+S   34.8176 35.3551 38.6039
+S   34.7313 35.3614 38.5652
+S   34.7197 35.3875 38.5313
+S   34.7589 35.3732 38.5085
+S   34.7400 35.3415 38.4626
+S   34.6928 35.3481 38.4522
+S   34.7079 35.3644 38.4906
+S   34.7551 35.3873 38.5582
+S   34.7818 35.4705 38.5527
+S   34.8105 35.5751 38.5450
+S   34.8282 35.7193 38.4865
+S   34.8855 35.7069 38.4263
+S   34.7651 35.7850 38.4717
+S   34.6068 35.9025 38.5492
+S   34.4839 35.9042 38.6224
+S   34.4139 35.8819 38.6703
+S   34.2988 35.9136 38.6681
+S   34.1867 35.9262 38.6485
+S   34.1541 35.8255 38.6240
+S   34.1023 35.7930 38.5988
+S   33.9368 35.7889 38.6191
+S   33.8140 35.7265 38.6735
+S   33.6144 35.6026 38.6371
+S   33.3432 35.4402 38.6330
+S   33.2195 35.3352 38.6501
+S   33.1681 35.2404 38.6626
+S   33.1549 35.1693 38.7499
+S   33.2454 35.0492 38.9074
+S   33.2351 34.8608 38.8818
+S   33.2656 34.6579 38.8620
+S   33.3104 34.4068 38.7873
+S   33.3148 34.2631 38.7230
+S   33.2889 34.2141 38.6851
+S   33.2275 34.1868 38.6655
+S   33.2941 34.0512 38.7941
+S   33.3620 33.9246 38.8681
+S   33.3698 33.9194 38.8625
+S   33.4054 33.9879 38.9206
+S   33.5106 33.9757 38.9692
+S   33.5902 33.9059 38.9956
+S   33.5573 33.8713 38.9717
+S   33.5615 33.8366 38.9507
+S   33.5698 33.8078 38.9777
+S   33.5518 33.7660 39.0144
+S   33.5701 33.6896 39.0727
+S   33.6428 33.6456 39.1313
+S   33.7771 33.6923 39.1902
+S   33.7919 33.7538 39.2478
+S   33.8092 33.7859 39.3809
+S   33.8089 33.7736 39.6519
+S   33.7753 33.8130 39.7975
+S   33.7177 33.7330 39.9293
+S   33.7157 33.6649 40.0665
+S   33.6429 33.6932 40.2425
+S   33.5801 33.7458 40.3932
+S   33.5517 33.7159 40.5250
+S   33.4541 33.7169 40.7483
+S   33.4171 33.7839 40.8835
+S   33.4478 33.9192 41.0202
+S   33.5611 34.0509 41.1233
+S   33.5409 34.2605 41.1169
+S   33.5309 34.4395 41.0704
+S   33.5219 34.6397 41.0484
+S   33.5665 34.7845 41.1395
+S   33.6461 34.7938 41.1778
+S   33.6359 34.8547 41.1943
+S   33.5450 34.8165 41.1306
+S   33.4246 34.7248 41.1115
+S   33.4430 34.7213 41.1999
+S   33.4559 34.7809 41.2293
+S   33.4386 34.7219 41.1732
+S   33.3779 34.7037 41.1707
+S   33.3711 34.7611 41.1795
+S   33.4008 34.8503 41.1845
+S   33.4118 34.8683 41.1987
+S   33.4389 34.8229 41.2536
+S   33.4635 34.7832 41.2721
+S   33.5047 34.7737 41.1942
+S   33.5428 34.6880 41.1205
+S   33.5297 34.7100 41.0247
+S   33.4879 34.6788 40.9874
+S   33.5041 34.6632 40.9578
+S   33.4987 34.6332 40.9452
+S   33.4290 34.7750 40.8687
+S   33.4381 34.8522 40.8288
+S   33.5297 34.9401 40.7991
+S   33.5048 35.1006 40.7523
+S   33.4233 35.1134 40.8162
+S   33.3238 35.0620 40.9070
+S   33.3134 34.9382 40.9002
+S   33.3257 34.8920 40.9194
+S   33.3055 34.9123 40.9345
+S   33.2863 34.9481 40.9161
+S   33.3456 34.8631 40.8936
+S   33.4504 34.8405 40.8452
+S   33.5537 34.8567 40.8034
+S   33.5005 34.7869 40.7921
+S   33.4418 34.7168 40.6901
+S   33.4417 34.6477 40.5236
+S   33.4906 34.6487 40.4360
+S   33.4764 34.6726 40.4251
+S   33.4169 34.6836 40.3971
+S   33.3872 34.6504 40.4295
+S   33.3608 34.5525 40.4613
+S   33.3260 34.4991 40.3956
+S   33.2650 34.5008 40.4024
+S   33.2659 34.5277 40.3924
+S   33.3139 34.5362 40.4053
+S   33.2756 34.5591 40.3338
+S   33.2630 34.5346 40.4216
+S   33.2449 34.5525 40.4553
+S   33.3041 34.5587 40.5451
+S   33.2567 34.4701 40.6772
+S   33.2817 34.4404 40.8106
+S   33.2678 34.4353 40.9002
+S   33.3380 34.4249 40.7677
+S   33.3773 34.4259 40.6456
+S   33.4186 34.4053 40.6440
+S   33.3675 34.3261 40.5646
+S   33.3276 34.3673 40.5628
+S   33.4333 34.4553 40.5427
+S   33.4785 34.5411 40.5431
+S   33.5135 34.5794 40.4993
+S   33.6460 34.5455 40.5007
+S   33.7049 34.5038 40.4185
+S   33.6299 34.5264 40.3363
+S   33.6321 34.6286 40.2349
+S   33.6673 34.6512 40.2575
+S   33.6832 34.6966 40.2871
+S   33.6334 34.6461 40.2448
+S   33.6127 34.5133 40.1878
+S   33.6301 34.4280 40.1749
+S   33.6600 34.3666 40.1472
+S   33.6110 34.4229 40.1075
+S   33.5709 34.4599 40.1849
+S   33.6108 34.4503 40.1754
+S   33.7074 34.3898 40.1447
+S   33.8324 34.3520 40.2112
+S   33.7386 34.3462 40.2563
+S   33.6370 34.4157 40.2936
+S   33.5193 34.4636 40.3432
+S   33.3999 34.4792 40.4279
+S   33.3205 34.5027 40.5433
+S   33.3636 34.6347 40.5155
+S   33.3277 34.6521 40.4942
+S   33.3338 34.5401 40.5369
+S   33.4021 34.4937 40.5183
+S   33.4532 34.4210 40.4285
+S   33.5177 34.4016 40.4045
+S   33.5487 34.4570 40.3825
+S   33.5990 34.4520 40.4571
+S   33.6351 34.4034 40.4815
+S   33.6146 34.4019 40.4421
+S   33.5717 34.4497 40.4394
+S   33.4891 34.5569 40.4476
+S   33.3619 34.6309 40.4501
+S   33.3612 34.7196 40.4670
+S   33.4303 34.7814 40.4756
+S   33.4509 34.7781 40.4388
+S   33.4526 34.6823 40.4165
+S   33.4975 34.6036 40.2224
+S   33.4915 34.4693 40.1466
+S   33.5318 34.4207 40.0235
+S   33.4524 34.3555 39.7499
+S   33.3687 34.3253 39.2881
+S   33.3873 34.2518 38.8665
+S   33.3850 34.1249 38.5524
+S   33.5029 33.8251 38.3779
+S   33.6575 33.4436 38.2050
+S   33.7500 33.0742 37.9563

1lf5_ligand_GppNHp_197_dock1/MCpath50.xyz

@@ -0,0 +1,142 @@
+140
+140
+S   35.0762 35.1237 38.8791
+S   35.0588 35.0106 38.8463
+S   35.0594 34.9846 38.8690
+S   35.0533 35.0006 38.8952
+S   35.0686 35.0619 38.8732
+S   35.0388 35.1108 38.8693
+S   35.0048 35.0682 38.8841
+S   34.9811 35.0163 38.8781
+S   34.9025 35.0243 38.8597
+S   34.8367 35.0351 38.8173
+S   34.7800 35.0569 38.7143
+S   34.7903 35.1358 38.6704
+S   34.8575 35.1544 38.6378
+S   34.8398 35.1137 38.6243
+S   34.8064 35.0995 38.6197
+S   34.7721 35.0452 38.5471
+S   34.8058 34.9442 38.5806
+S   34.8265 34.8603 38.6370
+S   34.8268 34.7197 38.7310
+S   34.8471 34.6353 38.7731
+S   34.9636 34.5641 38.8330
+S   34.9990 34.5537 38.8741
+S   34.9876 34.6365 38.7862
+S   34.9283 34.7190 38.6454
+S   34.8849 34.6977 38.5535
+S   34.8667 34.7181 38.4480
+S   34.7695 34.7330 38.4104
+S   34.7156 34.6677 38.3884
+S   34.6376 34.6214 38.4097
+S   34.5119 34.6165 38.3882
+S   34.3991 34.5436 38.4032
+S   34.3058 34.5214 38.3517
+S   34.2553 34.4381 38.3262
+S   34.2697 34.4127 38.3351
+S   34.2305 34.3153 38.4787
+S   34.1614 34.2456 38.5523
+S   34.1153 34.2234 38.6610
+S   34.0450 34.2581 38.7873
+S   34.0355 34.3835 38.8173
+S   33.9430 34.5186 38.8764
+S   33.8797 34.5330 38.8903
+S   33.8553 34.5742 38.9011
+S   33.7986 34.7200 38.8777
+S   33.7883 34.8017 38.8751
+S   33.7288 34.7641 38.8899
+S   33.5864 34.6615 38.7797
+S   33.4502 34.5942 38.7565
+S   33.4078 34.5802 38.7743
+S   33.3516 34.5508 38.7652
+S   33.2174 34.4225 38.7690
+S   33.0972 34.3505 38.7655
+S   33.0500 34.2507 38.8036
+S   32.9702 34.2400 38.7859
+S   33.0040 34.1300 38.8677
+S   32.9639 34.0415 38.9332
+S   32.9329 33.9453 39.0018
+S   32.8576 33.8405 39.0495
+S   32.8153 33.8115 39.0451
+S   32.7609 33.7024 39.0041
+S   32.7537 33.6672 38.9284
+S   32.7822 33.6338 38.8822
+S   32.8142 33.5279 38.8779
+S   32.8168 33.3611 38.8683
+S   32.7712 33.2320 38.8519
+S   32.8220 33.1451 38.9080
+S   32.8628 33.1377 39.0161
+S   32.9181 33.1762 39.1130
+S   33.0173 33.1971 39.2007
+S   33.0886 33.2327 39.3752
+S   33.0321 33.3154 39.6368
+S   33.0403 33.3853 39.7607
+S   33.0020 33.4764 39.8103
+S   32.8751 33.5608 39.8560
+S   32.8552 33.5913 39.8756
+S   32.7895 33.5301 39.8783
+S   32.6393 33.5951 39.8572
+S   32.6182 33.7086 39.8794
+S   32.5409 33.7401 39.9005
+S   32.4999 33.6861 39.8533
+S   32.4797 33.5407 39.7403
+S   32.4681 33.4510 39.7145
+S   32.3788 33.4340 39.6456
+S   32.2713 33.3841 39.6408
+S   32.2226 33.2984 39.7555
+S   32.2479 33.2572 39.8838
+S   32.2436 33.2080 40.0488
+S   32.2361 33.0934 40.1824
+S   32.1596 33.0152 40.3175
+S   32.1584 33.0198 40.3598
+S   32.2650 32.9947 40.4028
+S   32.3776 32.9486 40.4792
+S   32.4682 32.9562 40.5511
+S   32.5347 32.8649 40.6375
+S   32.5647 32.7993 40.7073
+S   32.6807 32.7710 40.7925
+S   32.7122 32.7411 40.8763
+S   32.6722 32.6750 40.8238
+S   32.5873 32.6565 40.8386
+S   32.5051 32.5094 40.8528
+S   32.4828 32.4248 40.9156
+S   32.4261 32.3635 40.9872
+S   32.3241 32.2943 41.0630
+S   32.0927 32.1933 41.0678
+S   32.0523 32.1127 41.0109
+S   32.0343 32.1012 40.8354
+S   31.9633 32.1216 40.6144
+S   31.8880 32.0926 40.4743
+S   31.8970 31.9931 40.3528
+S   31.7814 32.0624 40.2783
+S   31.7101 32.1361 40.2433
+S   31.7040 32.1629 40.2443
+S   31.6111 32.1898 40.2080
+S   31.5744 32.1202 40.1704
+S   31.5799 32.0563 40.2695
+S   31.5358 31.9268 40.2372
+S   31.5488 31.7949 40.2186
+S   31.5931 31.6202 40.2196
+S   31.6556 31.4594 40.2995
+S   31.6024 31.3020 40.3642
+S   31.6311 31.0460 40.4565
+S   31.6770 30.9653 40.5267
+S   31.6868 30.9818 40.5415
+S   31.7143 31.0682 40.4958
+S   31.7459 31.1328 40.4299
+S   31.8025 31.1523 40.3647
+S   31.8872 31.1507 40.3563
+S   31.9222 31.1123 40.4256
+S   31.9065 31.0390 40.4823
+S   31.8070 31.0124 40.5451
+S   31.7729 30.9084 40.5276
+S   31.7474 30.7298 40.5292
+S   31.7897 30.5365 40.6521
+S   31.7529 30.4341 40.6815
+S   31.6880 30.3725 40.6266
+S   31.6993 30.3452 40.5649
+S   31.7116 30.3363 40.4677
+S   31.6905 30.3131 40.3448
+S   31.6210 30.2482 40.2700
+S   31.5495 30.1811 40.1089
+S   31.6123 30.2078 40.0003

1lf5_ligand_GppNHp_197_dock1/MCpath6.xyz

@@ -0,0 +1,206 @@
+204
+204
+S   35.0179 35.1084 39.2639
+S   35.0501 35.0540 39.1281
+S   35.0279 35.0783 38.9899
+S   35.0341 35.0636 38.8806
+S   35.0166 35.0590 38.8273
+S   34.9829 35.0470 38.8399
+S   34.9364 35.1094 38.8596
+S   34.9255 35.1279 38.8314
+S   34.8856 35.1012 38.9435
+S   34.8248 35.0391 39.0803
+S   34.8158 34.9744 39.2157
+S   34.7461 34.8818 39.3006
+S   34.7118 34.8244 39.3916
+S   34.6962 34.7483 39.4472
+S   34.6724 34.7039 39.4723
+S   34.7323 34.6690 39.4653
+S   34.8014 34.7148 39.4452
+S   34.8384 34.7819 39.3427
+S   34.8361 34.8166 39.2846
+S   34.8268 34.8051 39.2062
+S   34.8035 34.8112 39.2657
+S   34.8060 34.7906 39.3393
+S   34.7543 34.7843 39.3528
+S   34.6631 34.7663 39.3855
+S   34.5518 34.7394 39.4475
+S   34.4883 34.6728 39.4917
+S   34.4778 34.5580 39.5489
+S   34.4980 34.5085 39.5738
+S   34.5268 34.4930 39.6367
+S   34.4878 34.4250 39.6982
+S   34.4354 34.4691 39.7679
+S   34.3677 34.4950 39.8886
+S   34.3316 34.4635 39.9612
+S   34.3496 34.4740 40.0205
+S   34.4277 34.4436 39.8867
+S   34.4541 34.4078 39.8148
+S   34.4397 34.3172 39.7412
+S   34.5014 34.1492 39.6639
+S   34.5369 33.9460 39.6509
+S   34.5277 33.6095 39.6144
+S   34.5801 33.2638 39.5797
+S   34.5546 33.1676 39.5881
+S   34.5155 33.0747 39.5957
+S   34.5148 33.0180 39.6345
+S   34.4492 33.0911 39.6581
+S   34.4689 33.1239 39.6272
+S   34.5680 33.1629 39.5988
+S   34.5039 33.1789 39.5544
+S   34.4766 33.1890 39.5191
+S   34.4484 33.1927 39.5989
+S   34.4858 33.2158 39.7353
+S   34.5138 33.2010 39.7831
+S   34.4682 33.0863 39.7096
+S   34.5323 33.0046 39.7458
+S   34.6196 32.9123 39.7725
+S   34.7332 32.8779 39.7675
+S   34.8039 32.8676 39.7506
+S   34.8200 32.9883 39.7095
+S   34.7707 33.0667 39.6831
+S   34.7588 33.0060 39.6540
+S   34.7746 32.8839 39.6700
+S   34.6887 32.7578 39.6602
+S   34.6193 32.6514 39.6191
+S   34.5496 32.4958 39.6406
+S   34.5481 32.3090 39.6359
+S   34.5427 32.1580 39.5716
+S   34.5039 32.0636 39.5892
+S   34.3776 32.0440 39.6289
+S   34.2754 32.0868 39.6175
+S   34.1832 32.0329 39.4959
+S   34.1400 32.0053 39.3827
+S   34.0741 32.0426 39.4139
+S   33.9479 32.1676 39.4848
+S   33.8585 32.2592 39.5832
+S   33.6701 32.4280 39.6144
+S   33.5052 32.5467 39.6112
+S   33.3586 32.7397 39.6680
+S   33.2939 32.8316 39.7381
+S   33.2351 32.8811 39.7672
+S   33.1452 32.9105 39.7330
+S   33.0792 33.0605 39.7322
+S   33.1222 33.2277 39.8398
+S   33.1795 33.4207 39.9531
+S   33.1584 33.6031 40.0010
+S   33.1696 33.8096 39.9590
+S   33.1454 33.9831 39.9623
+S   33.1334 34.0739 40.0272
+S   33.0219 34.1017 40.0731
+S   32.9681 34.1699 39.9425
+S   32.9422 34.1882 39.8652
+S   32.8532 34.2845 39.8239
+S   32.7841 34.4148 39.8160
+S   32.6488 34.5657 39.8250
+S   32.4561 34.6379 39.7719
+S   32.2817 34.6011 39.7750
+S   32.1230 34.6461 39.7304
+S   32.1702 34.6624 39.7672
+S   32.2770 34.5870 39.7669
+S   32.2831 34.5252 39.7684
+S   32.2255 34.5670 39.7844
+S   32.2227 34.6348 39.8271
+S   32.2636 34.6634 39.9085
+S   32.2651 34.6416 39.8436
+S   32.2184 34.6246 39.8100
+S   32.2592 34.6326 39.8626
+S   32.3492 34.6201 39.9031
+S   32.3729 34.5988 39.8106
+S   32.4724 34.5634 39.7570
+S   32.5568 34.5624 39.7886
+S   32.5676 34.5640 39.8720
+S   32.5324 34.6157 39.8945
+S   32.4218 34.6133 39.8517
+S   32.2752 34.5499 39.7727
+S   32.1592 34.5784 39.7155
+S   32.0144 34.6104 39.6975
+S   31.9419 34.6165 39.7331
+S   31.8583 34.6062 39.7266
+S   31.8844 34.6110 39.6809
+S   31.8607 34.5690 39.6751
+S   31.8663 34.5286 39.6403
+S   31.8894 34.4953 39.7260
+S   31.8917 34.4877 39.8300
+S   31.9054 34.5174 39.8459
+S   31.8711 34.4500 39.8337
+S   31.8434 34.4106 39.7553
+S   31.8003 34.4262 39.6793
+S   31.6587 34.4133 39.6238
+S   31.5209 34.3889 39.6618
+S   31.3804 34.3514 39.6375
+S   31.2708 34.3604 39.6040
+S   31.2608 34.3496 39.6052
+S   31.2802 34.3627 39.5791
+S   31.3523 34.3565 39.5652
+S   31.4568 34.4452 39.5625
+S   31.4672 34.4790 39.5391
+S   31.4300 34.4972 39.4645
+S   31.3993 34.4348 39.4406
+S   31.4010 34.3621 39.3861
+S   31.3144 34.3130 39.4206
+S   31.2639 34.2759 39.4519
+S   31.2507 34.3127 39.3611
+S   31.3084 34.3313 39.3470
+S   31.2937 34.4029 39.3543
+S   31.2697 34.4531 39.3330
+S   31.2761 34.5908 39.3646
+S   31.2994 34.5529 39.3401
+S   31.2293 34.5156 39.3082
+S   31.1205 34.4914 39.3002
+S   31.0457 34.4397 39.3988
+S   30.9963 34.4931 39.5123
+S   31.0013 34.3974 39.5574
+S   30.9642 34.3515 39.5518
+S   30.7670 34.3593 39.4979
+S   30.6665 34.2777 39.5390
+S   30.5895 34.1043 39.5870
+S   30.6105 33.9328 39.6870
+S   30.6110 33.7757 39.7224
+S   30.6273 33.5560 39.8683
+S   30.6738 33.3219 39.9337
+S   30.6702 33.1194 40.0462
+S   30.7074 32.8759 40.1124
+S   30.7719 32.6874 40.1251
+S   30.8822 32.5976 40.0973
+S   30.9488 32.5149 40.1373
+S   31.0495 32.5203 40.2775
+S   31.2327 32.5096 40.3813
+S   31.3253 32.3979 40.4993
+S   31.4509 32.2732 40.6243
+S   31.5659 32.1630 40.6542
+S   31.6408 32.1345 40.6070
+S   31.6796 32.2121 40.4484
+S   31.7566 32.1740 40.2650
+S   31.8085 32.1849 40.1516
+S   31.8336 32.1689 40.0198
+S   31.8384 32.1067 39.8720
+S   31.8157 32.0254 39.7825
+S   31.8872 31.9376 39.7547
+S   31.9557 31.7981 39.6867
+S   31.8544 31.6796 39.7116
+S   31.7173 31.4909 39.6494
+S   31.6742 31.3200 39.6642
+S   31.5755 31.2140 39.6702
+S   31.5450 31.1900 39.7798
+S   31.5163 31.1629 39.8614
+S   31.5677 31.1012 39.8675
+S   31.7064 31.0014 39.8887
+S   31.8473 30.9037 39.8027
+S   31.9873 30.8857 39.6656
+S   32.1722 30.8257 39.6567
+S   32.3163 30.7561 39.6307
+S   32.4544 30.6996 39.6467
+S   32.5458 30.6569 39.7155
+S   32.5535 30.5527 39.7737
+S   32.6613 30.5257 39.8179
+S   32.7212 30.5014 39.8008
+S   32.7619 30.5018 39.7365
+S   32.8158 30.4263 39.6320
+S   32.7673 30.3144 39.5239
+S   32.8021 30.2784 39.4636
+S   32.7624 30.3890 39.3115
+S   32.7052 30.3137 39.1845
+S   32.7114 30.2501 39.2050
+S   32.7826 30.2511 39.1666
+S   32.8743 30.3434 39.0724

1lf5_ligand_GppNHp_197_dock1/MCpath7.xyz

@@ -0,0 +1,114 @@
+112
+112
+S   35.0626 35.2958 39.1312
+S   35.0617 35.2364 39.0925
+S   35.0616 35.2019 39.0620
+S   35.0650 35.2546 39.0761
+S   35.1665 35.3180 39.0909
+S   35.1940 35.3781 39.0926
+S   35.1524 35.3656 39.0676
+S   35.1451 35.3747 39.0496
+S   35.1203 35.3992 39.0116
+S   35.0240 35.3873 38.9865
+S   34.9435 35.3816 38.9093
+S   34.9330 35.3117 38.8357
+S   34.9156 35.2764 38.7606
+S   34.8816 35.3824 38.6361
+S   34.8384 35.5043 38.5911
+S   34.8238 35.6180 38.6449
+S   34.8113 35.6546 38.6850
+S   34.8901 35.6098 38.6241
+S   34.8645 35.6780 38.6234
+S   34.8350 35.6970 38.6163
+S   34.8340 35.6956 38.5832
+S   34.8322 35.6827 38.6030
+S   34.7970 35.5719 38.7044
+S   34.7346 35.5796 38.7445
+S   34.6955 35.6269 38.7750
+S   34.7090 35.7227 38.7804
+S   34.6472 35.7150 38.7760
+S   34.5990 35.6533 38.8310
+S   34.5396 35.5717 38.9122
+S   34.4633 35.4429 38.8710
+S   34.4463 35.4234 38.7621
+S   34.3902 35.5282 38.6886
+S   34.4130 35.5286 38.6925
+S   34.4755 35.4593 38.6497
+S   34.4972 35.4124 38.5291
+S   34.5100 35.3487 38.4024
+S   34.6037 35.2479 38.3351
+S   34.6644 35.1905 38.4072
+S   34.6487 35.1815 38.4362
+S   34.5890 35.1815 38.4610
+S   34.5141 35.0171 38.6578
+S   34.4677 34.6869 38.7758
+S   34.4377 34.3936 38.7455
+S   34.4124 34.1398 38.6462
+S   34.3988 33.9409 38.5942
+S   34.4145 33.8265 38.5955
+S   34.4445 33.7158 38.6177
+S   34.5799 33.5772 38.5720
+S   34.6360 33.4612 38.5363
+S   34.6985 33.3913 38.5468
+S   34.6543 33.3672 38.5428
+S   34.5680 33.3730 38.5215
+S   34.5684 33.3776 38.5376
+S   34.6007 33.3197 38.5670
+S   34.5862 33.1931 38.5711
+S   34.5511 33.1657 38.5453
+S   34.5782 33.1599 38.5572
+S   34.7127 33.1999 38.6289
+S   34.7355 33.2580 38.6982
+S   34.7800 33.2630 38.6235
+S   34.7639 33.2613 38.5128
+S   34.7198 33.3350 38.4842
+S   34.7227 33.2735 38.5764
+S   34.6549 33.2370 38.6758
+S   34.4958 33.2549 38.6714
+S   34.3254 33.2981 38.6676
+S   34.2476 33.2837 38.6640
+S   34.1704 33.2302 38.5923
+S   34.1405 33.1285 38.5895
+S   34.1067 33.1044 38.5822
+S   34.0078 33.2102 38.6028
+S   33.9746 33.2662 38.6314
+S   33.8835 33.3242 38.7396
+S   33.6683 33.3525 38.8140
+S   33.5537 33.4441 38.8404
+S   33.4212 33.4870 38.7425
+S   33.2313 33.5557 38.7505
+S   33.1426 33.5821 38.8548
+S   33.0179 33.6640 38.9911
+S   32.9448 33.7347 39.1167
+S   32.9882 33.8104 39.0912
+S   33.0216 33.8261 39.0113
+S   33.0588 33.8395 38.9473
+S   33.0693 33.8597 38.8911
+S   33.0861 33.8022 38.8511
+S   33.0363 33.7650 38.7729
+S   33.0261 33.7496 38.7462
+S   33.0674 33.7702 38.6694
+S   33.0229 33.6683 38.6627
+S   33.0466 33.6186 38.6807
+S   33.0284 33.5971 38.6187
+S   33.0625 33.5835 38.6360
+S   33.1896 33.5121 38.7356
+S   33.3009 33.4210 38.6871
+S   33.2592 33.2969 38.7022
+S   33.1413 33.2873 38.6094
+S   33.0002 33.3158 38.5347
+S   32.9063 33.3180 38.6021
+S   32.8062 33.3628 38.6905
+S   32.7156 33.3620 38.7327
+S   32.6808 33.3333 38.7343
+S   32.6482 33.4145 38.6715
+S   32.6839 33.4223 38.6590
+S   32.6840 33.4189 38.6284
+S   32.5667 33.4329 38.6440
+S   32.5138 33.2940 38.6792
+S   32.5552 33.1637 38.6982
+S   32.7377 32.9669 38.7021
+S   32.7736 32.8396 38.7038
+S   32.7694 32.6760 38.7033
+S   32.7516 32.4660 38.8138
+S   32.7047 32.1630 38.8289

1lf5_ligand_GppNHp_197_dock1/MCpath8.xyz

@@ -0,0 +1,130 @@
+128
+128
+S   35.1225 35.2697 39.0429
+S   35.0576 35.2687 39.0661
+S   35.0249 35.3155 39.0936
+S   34.9988 35.3979 39.1279
+S   34.9928 35.4162 39.1447
+S   35.0052 35.3861 39.2127
+S   34.9618 35.3355 39.1575
+S   34.9240 35.3330 39.1664
+S   34.9222 35.2779 39.1483
+S   34.9180 35.2448 39.1388
+S   34.8946 35.2642 39.2293
+S   34.9026 35.2876 39.2056
+S   34.8997 35.3931 39.1684
+S   34.8809 35.3805 39.0773
+S   34.8737 35.3552 38.9711
+S   34.8342 35.3961 38.8563
+S   34.8167 35.4858 38.7622
+S   34.8132 35.5832 38.7339
+S   34.8523 35.5710 38.6686
+S   34.8327 35.5567 38.6380
+S   34.8312 35.5612 38.5514
+S   34.8103 35.5302 38.5038
+S   34.7830 35.5594 38.5366
+S   34.6700 35.4835 38.5562
+S   34.5791 35.3816 38.5849
+S   34.5536 35.4148 38.5918
+S   34.6137 35.5673 38.5503
+S   34.6276 35.7158 38.5341
+S   34.6534 35.8260 38.4652
+S   34.7116 35.9155 38.4562
+S   34.7454 35.8861 38.5108
+S   34.8166 35.8363 38.6049
+S   34.8080 35.6914 38.6432
+S   34.7758 35.6071 38.6464
+S   34.6604 35.5812 38.6142
+S   34.6098 35.4854 38.5620
+S   34.6281 35.3980 38.4885
+S   34.6679 35.3353 38.3930
+S   34.6065 35.3766 38.2898
+S   34.4902 35.4213 38.2010
+S   34.4447 35.4288 38.3299
+S   34.3988 35.4803 38.3892
+S   34.3688 35.5353 38.3686
+S   34.3245 35.6346 38.4299
+S   34.3626 35.6171 38.4191
+S   34.2960 35.6462 38.3241
+S   34.3358 35.6645 38.2197
+S   34.4189 35.6570 38.2329
+S   34.4079 35.7040 38.2564
+S   34.4276 35.7018 38.2945
+S   34.3230 35.6556 38.3611
+S   34.3409 35.5712 38.3465
+S   34.3865 35.4496 38.4107
+S   34.3622 35.3809 38.4791
+S   34.4194 35.2829 38.3765
+S   34.4571 35.2155 38.3476
+S   34.4317 35.2200 38.3187
+S   34.3548 35.2500 38.2785
+S   34.3363 35.3058 38.2186
+S   34.4692 35.3309 38.2468
+S   34.5366 35.3533 38.2259
+S   34.4762 35.3472 38.1671
+S   34.4626 35.3083 38.1764
+S   34.5329 35.3211 38.2287
+S   34.4017 35.2801 38.1742
+S   34.2748 35.3033 38.1075
+S   34.2411 35.2782 37.8491
+S   34.2511 35.2900 37.5310
+S   34.2830 35.1519 37.2992
+S   34.4133 34.8608 37.1352
+S   34.5296 34.6369 37.1514
+S   34.4888 34.5720 37.1434
+S   34.4352 34.5069 37.1949
+S   34.5048 34.3306 37.2081
+S   34.4915 34.0842 37.1810
+S   34.4978 34.0019 37.1995
+S   34.4853 33.9222 37.3097
+S   34.5360 33.9114 37.3983
+S   34.4761 33.9265 37.4114
+S   34.4112 33.8024 37.5396
+S   34.3906 33.6506 37.6570
+S   34.3530 33.5897 37.6590
+S   34.3181 33.6317 37.6300
+S   34.3540 33.5996 37.5341
+S   34.4102 33.5009 37.4685
+S   34.4021 33.4019 37.5114
+S   34.3348 33.3467 37.6026
+S   34.2571 33.2584 37.6776
+S   34.1917 33.1768 37.6930
+S   34.2196 33.0746 37.7167
+S   34.2858 33.0440 37.7214
+S   34.3704 33.0907 37.7958
+S   34.4404 33.2331 37.8409
+S   34.4582 33.2469 37.8793
+S   34.5063 33.2074 37.8699
+S   34.5896 33.1712 37.8625
+S   34.6100 33.0882 37.9035
+S   34.6563 32.9206 38.0024
+S   34.6758 32.7784 38.0311
+S   34.5241 32.6740 37.9907
+S   34.4332 32.5339 37.9511
+S   34.4243 32.3564 37.9363
+S   34.4286 32.1881 37.9076
+S   34.4416 32.1418 37.8732
+S   34.4817 32.1048 37.8448
+S   34.5939 32.0762 37.8238
+S   34.7374 32.0821 37.8334
+S   34.7255 32.0950 37.7899
+S   34.6983 32.0110 37.8757
+S   34.6524 31.8951 37.9737
+S   34.5783 31.8541 37.9436
+S   34.5053 31.8683 37.8830
+S   34.5650 31.7771 37.7846
+S   34.6474 31.7659 37.7746
+S   34.7201 31.7978 37.7604
+S   34.7395 31.8848 37.8165
+S   34.8241 31.9764 37.8446
+S   34.8923 32.0057 37.7791
+S   35.0005 31.9833 37.6195
+S   34.9507 31.8805 37.4860
+S   34.8110 31.7665 37.3483
+S   34.7024 31.6368 37.3761
+S   34.6149 31.6348 37.4750
+S   34.5130 31.6079 37.5912
+S   34.5096 31.4830 37.6417
+S   34.5271 31.4204 37.7182
+S   34.6137 31.3209 37.7292
+S   34.7182 31.2334 37.6701