Mercurial > repos > bgruening > autodock_vina

annotate test-data/protein.pdbqt @ 8:7a871df65202 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:13:41 -0400
parents 7b2f205b3f68
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
7
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1 ATOM 1 N SER A 15 59.869 -59.274 94.881 1.00 76.84 -0.064 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
2 ATOM 2 HN1 SER A 15 59.189 -59.537 95.594 1.00 0.00 0.275 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
3 ATOM 3 HN2 SER A 15 60.772 -59.726 95.024 1.00 0.00 0.275 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
4 ATOM 4 HN3 SER A 15 59.647 -59.676 93.970 1.00 0.00 0.275 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
5 ATOM 5 CA SER A 15 59.985 -57.783 94.828 1.00 71.13 0.297 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
6 ATOM 6 C SER A 15 58.610 -57.164 94.540 1.00 67.52 0.251 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
7 ATOM 7 O SER A 15 57.643 -57.893 94.314 1.00 65.98 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
8 ATOM 8 CB SER A 15 61.002 -57.390 93.761 1.00 66.24 0.206 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
9 ATOM 9 OG SER A 15 60.570 -57.811 92.472 1.00 67.23 -0.398 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
10 ATOM 10 HG SER A 15 61.203 -57.566 91.808 1.00 0.00 0.209 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
11 ATOM 11 N MET A 16 58.539 -55.834 94.563 1.00 58.08 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
12 ATOM 12 HN MET A 16 59.391 -55.306 94.754 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
13 ATOM 13 CA MET A 16 57.293 -55.088 94.326 1.00 59.05 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
14 ATOM 14 C MET A 16 56.683 -55.346 92.933 1.00 60.19 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
15 ATOM 15 O MET A 16 55.452 -55.432 92.802 1.00 57.04 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
16 ATOM 16 CB MET A 16 57.515 -53.574 94.563 1.00 55.78 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
17 ATOM 17 CG MET A 16 56.673 -52.616 93.735 1.00 58.54 0.076 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
18 ATOM 18 SD MET A 16 56.941 -50.885 94.202 1.00 67.90 -0.173 SA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
19 ATOM 19 CE MET A 16 58.554 -50.592 93.508 1.00 63.96 0.089 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
20 ATOM 20 N LEU A 17 57.526 -55.468 91.912 1.00 53.59 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
21 ATOM 21 HN LEU A 17 58.531 -55.493 92.086 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
22 ATOM 22 CA LEU A 17 57.027 -55.566 90.550 1.00 55.31 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
23 ATOM 23 C LEU A 17 56.583 -56.984 90.257 1.00 55.34 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
24 ATOM 24 O LEU A 17 55.576 -57.195 89.583 1.00 50.16 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
25 ATOM 25 CB LEU A 17 58.079 -55.116 89.534 1.00 53.94 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
26 ATOM 26 CG LEU A 17 58.257 -53.602 89.470 1.00 56.21 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
27 ATOM 27 CD1 LEU A 17 59.299 -53.272 88.406 1.00 54.07 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
28 ATOM 28 CD2 LEU A 17 56.947 -52.872 89.190 1.00 55.51 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
29 ATOM 29 N ASP A 18 57.343 -57.937 90.783 1.00 53.67 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
30 ATOM 30 HN ASP A 18 58.158 -57.664 91.332 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
31 ATOM 31 CA ASP A 18 57.063 -59.355 90.610 1.00 55.96 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
32 ATOM 32 C ASP A 18 55.817 -59.777 91.346 1.00 54.31 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
33 ATOM 33 O ASP A 18 55.071 -60.644 90.851 1.00 51.31 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
34 ATOM 34 CB ASP A 18 58.244 -60.213 91.111 1.00 63.00 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
35 ATOM 35 CG ASP A 18 59.374 -60.344 90.084 1.00 68.30 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
36 ATOM 36 OD1 ASP A 18 59.406 -59.615 89.060 1.00 65.22 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
37 ATOM 37 OD2 ASP A 18 60.238 -61.215 90.313 1.00 75.83 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
38 ATOM 38 N ASP A 19 55.625 -59.203 92.540 1.00 51.81 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
39 ATOM 39 HN ASP A 19 56.363 -58.612 92.924 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
40 ATOM 40 CA ASP A 19 54.401 -59.389 93.315 1.00 54.58 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
41 ATOM 41 C ASP A 19 53.161 -58.848 92.558 1.00 48.17 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
42 ATOM 42 O ASP A 19 52.182 -59.582 92.412 1.00 43.63 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
43 ATOM 43 CB ASP A 19 54.528 -58.761 94.712 1.00 64.34 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
44 ATOM 44 CG ASP A 19 55.601 -59.459 95.597 1.00 73.54 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
45 ATOM 45 OD1 ASP A 19 56.010 -60.625 95.311 1.00 69.01 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
46 ATOM 46 OD2 ASP A 19 56.047 -58.812 96.580 1.00 74.57 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
47 ATOM 47 N ALA A 20 53.250 -57.621 92.027 1.00 39.46 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
48 ATOM 48 HN ALA A 20 54.104 -57.084 92.177 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
49 ATOM 49 CA ALA A 20 52.188 -57.028 91.253 1.00 39.99 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
50 ATOM 50 C ALA A 20 51.777 -57.889 90.072 1.00 40.25 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
51 ATOM 51 O ALA A 20 50.583 -58.151 89.910 1.00 35.86 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
52 ATOM 52 CB ALA A 20 52.557 -55.647 90.771 1.00 39.41 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
53 ATOM 53 N LYS A 21 52.745 -58.347 89.277 1.00 40.37 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
54 ATOM 54 HN LYS A 21 53.709 -58.069 89.458 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
55 ATOM 55 CA LYS A 21 52.457 -59.249 88.138 1.00 44.30 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
56 ATOM 56 C LYS A 21 51.734 -60.577 88.536 1.00 41.38 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
57 ATOM 57 O LYS A 21 50.758 -60.986 87.901 1.00 37.94 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
58 ATOM 58 CB LYS A 21 53.726 -59.586 87.360 1.00 49.00 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
59 ATOM 59 CG LYS A 21 54.303 -58.445 86.556 1.00 61.44 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
60 ATOM 60 CD LYS A 21 55.634 -58.824 85.868 1.00 72.16 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
61 ATOM 61 CE LYS A 21 56.875 -58.346 86.637 1.00 73.75 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
62 ATOM 62 NZ LYS A 21 58.003 -57.940 85.749 1.00 73.78 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
63 ATOM 63 HZ1 LYS A 21 58.827 -57.623 86.260 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
64 ATOM 64 HZ2 LYS A 21 57.699 -57.234 85.078 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
65 ATOM 65 HZ3 LYS A 21 58.245 -58.693 85.104 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
66 ATOM 66 N ALA A 22 52.212 -61.231 89.580 1.00 37.90 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
67 ATOM 67 HN ALA A 22 53.029 -60.864 90.069 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
68 ATOM 68 CA ALA A 22 51.594 -62.468 90.048 1.00 40.35 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
69 ATOM 69 C ALA A 22 50.148 -62.216 90.535 1.00 39.35 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
70 ATOM 70 O ALA A 22 49.270 -62.988 90.208 1.00 37.53 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
71 ATOM 71 CB ALA A 22 52.440 -63.108 91.161 1.00 38.35 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
72 ATOM 72 N ARG A 23 49.908 -61.146 91.301 1.00 37.64 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
73 ATOM 73 HN ARG A 23 50.687 -60.567 91.615 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
74 ATOM 74 CA ARG A 23 48.526 -60.790 91.699 1.00 40.47 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
75 ATOM 75 C ARG A 23 47.627 -60.611 90.483 1.00 37.55 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
76 ATOM 76 O ARG A 23 46.549 -61.197 90.426 1.00 36.67 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
77 ATOM 77 CB ARG A 23 48.462 -59.486 92.486 1.00 43.20 0.036 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
78 ATOM 78 CG ARG A 23 49.124 -59.496 93.838 1.00 48.25 0.023 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
79 ATOM 79 CD ARG A 23 48.352 -60.285 94.847 1.00 56.96 0.138 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
80 ATOM 80 NE ARG A 23 48.828 -59.932 96.190 1.00 68.23 -0.227 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
81 ATOM 81 HE ARG A 23 49.673 -60.400 96.518 1.00 0.00 0.177 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
82 ATOM 82 CZ ARG A 23 48.260 -59.056 97.023 1.00 66.72 0.665 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
83 ATOM 83 NH1 ARG A 23 47.149 -58.396 96.710 1.00 62.67 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
84 ATOM 84 1HH1 ARG A 23 46.715 -57.727 97.346 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
85 ATOM 85 2HH1 ARG A 23 46.717 -58.563 95.801 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
86 ATOM 86 NH2 ARG A 23 48.819 -58.840 98.200 1.00 69.91 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
87 ATOM 87 1HH2 ARG A 23 48.385 -58.171 98.836 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
88 ATOM 88 2HH2 ARG A 23 49.671 -59.346 98.440 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
89 ATOM 89 N LEU A 24 48.106 -59.804 89.532 1.00 34.58 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
90 ATOM 90 HN LEU A 24 49.042 -59.420 89.659 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
91 ATOM 91 CA LEU A 24 47.371 -59.435 88.316 1.00 34.36 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
92 ATOM 92 C LEU A 24 47.037 -60.621 87.445 1.00 34.83 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
93 ATOM 93 O LEU A 24 45.976 -60.635 86.836 1.00 33.67 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
94 ATOM 94 CB LEU A 24 48.105 -58.367 87.482 1.00 31.00 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
95 ATOM 95 CG LEU A 24 48.168 -56.919 88.036 1.00 33.36 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
96 ATOM 96 CD1 LEU A 24 49.226 -56.038 87.359 1.00 32.66 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
97 ATOM 97 CD2 LEU A 24 46.815 -56.232 87.932 1.00 33.87 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
98 ATOM 98 N ARG A 25 47.919 -61.610 87.390 1.00 37.18 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
99 ATOM 99 HN ARG A 25 48.782 -61.543 87.930 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
100 ATOM 100 CA ARG A 25 47.674 -62.798 86.565 1.00 42.43 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
101 ATOM 101 C ARG A 25 46.485 -63.639 87.042 1.00 40.54 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
102 ATOM 102 O ARG A 25 45.858 -64.281 86.239 1.00 41.31 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
103 ATOM 103 CB ARG A 25 48.933 -63.673 86.445 1.00 50.24 0.036 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
104 ATOM 104 CG ARG A 25 49.942 -63.075 85.472 1.00 57.10 0.023 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
105 ATOM 105 CD ARG A 25 51.197 -63.910 85.311 1.00 65.68 0.138 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
106 ATOM 106 NE ARG A 25 52.246 -63.099 84.663 1.00 75.04 -0.227 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
107 ATOM 107 HE ARG A 25 52.034 -62.724 83.738 1.00 0.00 0.177 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
108 ATOM 108 CZ ARG A 25 53.450 -62.808 85.174 1.00 77.39 0.665 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
109 ATOM 109 NH1 ARG A 25 53.839 -63.295 86.369 1.00 78.79 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
110 ATOM 110 1HH1 ARG A 25 53.201 -63.884 86.904 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
111 ATOM 111 2HH1 ARG A 25 54.756 -63.073 86.758 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
112 ATOM 112 NH2 ARG A 25 54.290 -62.032 84.469 1.00 73.19 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
113 ATOM 113 1HH2 ARG A 25 53.996 -61.663 83.565 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
114 ATOM 114 2HH2 ARG A 25 55.207 -61.810 84.858 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
115 ATOM 115 N LYS A 26 46.155 -63.585 88.327 1.00 41.88 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
116 ATOM 116 HN LYS A 26 46.713 -63.001 88.950 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
117 ATOM 117 CA LYS A 26 45.030 -64.324 88.885 1.00 42.71 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
118 ATOM 118 C LYS A 26 43.684 -63.762 88.406 1.00 40.39 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
119 ATOM 119 O LYS A 26 42.689 -64.439 88.510 1.00 37.65 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
120 ATOM 120 CB LYS A 26 45.048 -64.309 90.425 1.00 49.05 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
121 ATOM 121 CG LYS A 26 46.384 -64.601 91.124 1.00 58.11 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
122 ATOM 122 CD LYS A 26 46.956 -66.001 90.901 1.00 66.09 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
123 ATOM 123 CE LYS A 26 46.827 -66.894 92.138 1.00 75.31 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
124 ATOM 124 NZ LYS A 26 47.457 -66.301 93.364 1.00 77.19 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
125 ATOM 125 HZ1 LYS A 26 47.371 -66.896 94.188 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
126 ATOM 126 HZ2 LYS A 26 47.085 -65.369 93.549 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
127 ATOM 127 HZ3 LYS A 26 48.433 -66.061 93.190 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
128 ATOM 128 N TYR A 27 43.644 -62.524 87.901 1.00 38.69 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
129 ATOM 129 HN TYR A 27 44.511 -61.993 87.819 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
130 ATOM 130 CA TYR A 27 42.400 -61.916 87.466 1.00 36.75 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
131 ATOM 131 C TYR A 27 42.277 -61.829 85.930 1.00 35.52 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
132 ATOM 132 O TYR A 27 41.286 -61.266 85.405 1.00 34.85 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
133 ATOM 133 CB TYR A 27 42.231 -60.535 88.132 1.00 35.22 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
134 ATOM 134 CG TYR A 27 42.101 -60.598 89.644 1.00 35.27 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
135 ATOM 135 CD1 TYR A 27 43.225 -60.740 90.427 1.00 34.55 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
136 ATOM 136 CD2 TYR A 27 40.836 -60.514 90.298 1.00 36.92 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
137 ATOM 137 CE1 TYR A 27 43.140 -60.831 91.796 1.00 34.73 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
138 ATOM 138 CE2 TYR A 27 40.741 -60.600 91.696 1.00 37.11 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
139 ATOM 139 CZ TYR A 27 41.910 -60.758 92.436 1.00 37.83 0.065 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
140 ATOM 140 OH TYR A 27 41.922 -60.809 93.826 1.00 41.19 -0.361 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
141 ATOM 141 HH TYR A 27 42.720 -60.917 94.331 1.00 0.00 0.217 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
142 ATOM 142 N ASP A 28 43.258 -62.394 85.226 1.00 34.58 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
143 ATOM 143 HN ASP A 28 44.002 -62.874 85.733 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
144 ATOM 144 CA ASP A 28 43.323 -62.362 83.765 1.00 39.35 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
145 ATOM 145 C ASP A 28 42.203 -63.243 83.211 1.00 46.04 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
146 ATOM 146 O ASP A 28 42.129 -64.428 83.530 1.00 44.68 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
147 ATOM 147 CB ASP A 28 44.678 -62.924 83.287 1.00 40.62 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
148 ATOM 148 CG ASP A 28 44.909 -62.767 81.769 1.00 43.72 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
149 ATOM 149 OD1 ASP A 28 44.216 -62.007 81.069 1.00 46.68 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
150 ATOM 150 OD2 ASP A 28 45.838 -63.390 81.270 1.00 49.55 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
151 ATOM 151 N ILE A 29 41.318 -62.659 82.416 1.00 49.53 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
152 ATOM 152 HN ILE A 29 41.357 -61.649 82.275 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
153 ATOM 153 CA ILE A 29 40.295 -63.437 81.743 1.00 52.63 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
154 ATOM 154 C ILE A 29 40.730 -63.907 80.344 1.00 51.55 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
155 ATOM 155 O ILE A 29 40.001 -64.655 79.718 1.00 54.17 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
156 ATOM 156 CB ILE A 29 38.939 -62.686 81.697 1.00 58.55 0.013 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
157 ATOM 157 CG1 ILE A 29 38.957 -61.514 80.728 1.00 62.82 0.002 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
158 ATOM 158 CG2 ILE A 29 38.529 -62.208 83.092 1.00 60.31 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
159 ATOM 159 CD1 ILE A 29 37.671 -61.430 79.936 1.00 70.72 0.005 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
160 ATOM 160 N GLY A 30 41.894 -63.451 79.860 1.00 51.27 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
161 ATOM 161 HN GLY A 30 42.476 -62.876 80.469 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
162 ATOM 162 CA GLY A 30 42.379 -63.734 78.498 1.00 50.94 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
163 ATOM 163 C GLY A 30 41.544 -63.207 77.315 1.00 53.51 0.235 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
164 ATOM 164 O GLY A 30 40.975 -62.086 77.347 1.00 49.35 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
165 ATOM 165 N GLY A 31 41.490 -64.017 76.250 1.00 49.94 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
166 ATOM 166 HN GLY A 31 41.995 -64.903 76.282 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
167 ATOM 167 CA GLY A 31 40.732 -63.680 75.038 1.00 48.24 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
168 ATOM 168 C GLY A 31 39.321 -64.231 75.007 1.00 45.20 0.236 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
169 ATOM 169 O GLY A 31 38.641 -64.145 73.997 1.00 40.83 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
170 ATOM 170 N LYS A 32 38.893 -64.798 76.128 1.00 49.88 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
171 ATOM 171 HN LYS A 32 39.537 -64.829 76.919 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
172 ATOM 172 CA LYS A 32 37.551 -65.388 76.313 1.00 50.48 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
173 ATOM 173 C LYS A 32 36.389 -64.604 75.636 1.00 48.01 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
174 ATOM 174 O LYS A 32 35.650 -65.184 74.852 1.00 47.85 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
175 ATOM 175 CB LYS A 32 37.330 -65.566 77.825 1.00 52.78 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
176 ATOM 176 CG LYS A 32 36.278 -66.569 78.227 1.00 59.77 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
177 ATOM 177 CD LYS A 32 36.391 -66.949 79.698 1.00 60.05 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
178 ATOM 178 CE LYS A 32 37.540 -67.906 79.946 1.00 65.70 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
179 ATOM 179 NZ LYS A 32 37.351 -68.629 81.225 1.00 66.67 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
180 ATOM 180 HZ1 LYS A 32 38.124 -69.273 81.392 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
181 ATOM 181 HZ2 LYS A 32 36.449 -69.103 81.262 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
182 ATOM 182 HZ3 LYS A 32 37.218 -67.987 82.006 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
183 ATOM 183 N TYR A 33 36.292 -63.290 75.890 1.00 45.21 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
184 ATOM 184 HN TYR A 33 36.990 -62.871 76.504 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
185 ATOM 185 CA TYR A 33 35.230 -62.401 75.333 1.00 42.29 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
186 ATOM 186 C TYR A 33 35.615 -61.655 74.026 1.00 42.57 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
187 ATOM 187 O TYR A 33 34.818 -60.875 73.493 1.00 40.22 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
188 ATOM 188 CB TYR A 33 34.793 -61.381 76.421 1.00 41.51 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
189 ATOM 189 CG TYR A 33 33.934 -62.014 77.508 1.00 40.90 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
190 ATOM 190 CD1 TYR A 33 34.473 -62.928 78.401 1.00 40.74 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
191 ATOM 191 CD2 TYR A 33 32.572 -61.732 77.617 1.00 40.17 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
192 ATOM 192 CE1 TYR A 33 33.687 -63.541 79.381 1.00 43.59 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
193 ATOM 193 CE2 TYR A 33 31.780 -62.340 78.598 1.00 40.47 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
194 ATOM 194 CZ TYR A 33 32.338 -63.245 79.480 1.00 40.44 0.065 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
195 ATOM 195 OH TYR A 33 31.582 -63.886 80.450 1.00 38.75 -0.361 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
196 ATOM 196 HH TYR A 33 31.966 -64.508 81.057 1.00 0.00 0.217 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
197 ATOM 197 N SER A 34 36.807 -61.925 73.489 1.00 39.94 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
198 ATOM 198 HN SER A 34 37.348 -62.708 73.855 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
199 ATOM 199 CA SER A 34 37.360 -61.131 72.392 1.00 43.47 0.200 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
200 ATOM 200 C SER A 34 36.736 -61.354 71.009 1.00 46.20 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
201 ATOM 201 O SER A 34 36.883 -60.491 70.139 1.00 48.48 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
202 ATOM 202 CB SER A 34 38.862 -61.381 72.296 1.00 45.79 0.199 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
203 ATOM 203 OG SER A 34 39.154 -62.733 71.917 1.00 53.07 -0.398 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
204 ATOM 204 HG SER A 34 40.089 -62.889 71.857 1.00 0.00 0.209 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
205 ATOM 205 N HIS A 35 36.061 -62.493 70.814 1.00 44.26 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
206 ATOM 206 HN HIS A 35 35.955 -63.137 71.598 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
207 ATOM 207 CA HIS A 35 35.469 -62.854 69.526 1.00 49.79 0.182 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
208 ATOM 208 C HIS A 35 33.994 -62.438 69.352 1.00 52.30 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
209 ATOM 209 O HIS A 35 33.476 -62.478 68.248 1.00 55.58 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
210 ATOM 210 CB HIS A 35 35.685 -64.352 69.276 1.00 55.99 0.093 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
211 ATOM 211 CG HIS A 35 37.116 -64.763 69.472 1.00 66.63 0.028 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
212 ATOM 212 ND1 HIS A 35 38.151 -64.254 68.702 1.00 64.71 -0.354 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
213 ATOM 213 HD1 HIS A 35 38.042 -63.597 67.929 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
214 ATOM 214 CD2 HIS A 35 37.697 -65.563 70.398 1.00 69.90 0.114 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
215 ATOM 215 CE1 HIS A 35 39.299 -64.751 69.124 1.00 67.00 0.180 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
216 ATOM 216 NE2 HIS A 35 39.053 -65.550 70.149 1.00 77.48 -0.360 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
217 ATOM 217 HE2 HIS A 35 39.755 -66.073 70.672 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
218 ATOM 218 N LEU A 36 33.331 -62.000 70.414 1.00 46.22 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
219 ATOM 219 HN LEU A 36 33.803 -61.959 71.317 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
220 ATOM 220 CA LEU A 36 31.934 -61.574 70.314 1.00 42.70 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
221 ATOM 221 C LEU A 36 31.763 -60.378 69.339 1.00 42.23 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
222 ATOM 222 O LEU A 36 32.631 -59.516 69.268 1.00 37.16 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
223 ATOM 223 CB LEU A 36 31.388 -61.210 71.716 1.00 39.77 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
224 ATOM 224 CG LEU A 36 31.260 -62.405 72.666 1.00 38.90 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
225 ATOM 225 CD1 LEU A 36 31.020 -61.960 74.083 1.00 39.89 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
226 ATOM 226 CD2 LEU A 36 30.159 -63.337 72.222 1.00 40.85 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
227 ATOM 227 N PRO A 37 30.628 -60.311 68.603 1.00 42.44 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
228 ATOM 228 CA PRO A 37 30.410 -59.276 67.547 1.00 39.81 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
229 ATOM 229 C PRO A 37 30.013 -57.853 68.051 1.00 39.94 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
230 ATOM 230 O PRO A 37 28.948 -57.318 67.702 1.00 42.02 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
231 ATOM 231 CB PRO A 37 29.288 -59.912 66.700 1.00 39.57 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
232 ATOM 232 CG PRO A 37 28.477 -60.692 67.684 1.00 39.58 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
233 ATOM 233 CD PRO A 37 29.487 -61.248 68.684 1.00 39.89 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
234 ATOM 234 N TYR A 38 30.858 -57.233 68.868 1.00 39.52 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
235 ATOM 235 HN TYR A 38 31.709 -57.707 69.171 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
236 ATOM 236 CA TYR A 38 30.575 -55.867 69.340 1.00 36.09 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
237 ATOM 237 C TYR A 38 31.355 -54.821 68.529 1.00 33.66 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
238 ATOM 238 O TYR A 38 32.288 -55.170 67.818 1.00 28.48 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
239 ATOM 239 CB TYR A 38 30.971 -55.767 70.808 1.00 37.48 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
240 ATOM 240 CG TYR A 38 30.029 -56.436 71.776 1.00 37.03 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
241 ATOM 241 CD1 TYR A 38 28.884 -55.782 72.191 1.00 38.18 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
242 ATOM 242 CD2 TYR A 38 30.294 -57.701 72.302 1.00 35.54 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
243 ATOM 243 CE1 TYR A 38 28.017 -56.360 73.089 1.00 39.38 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
244 ATOM 244 CE2 TYR A 38 29.424 -58.295 73.211 1.00 36.25 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
245 ATOM 245 CZ TYR A 38 28.287 -57.613 73.606 1.00 37.38 0.065 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
246 ATOM 246 OH TYR A 38 27.392 -58.161 74.502 1.00 36.64 -0.361 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
247 ATOM 247 HH TYR A 38 27.578 -59.022 74.857 1.00 0.00 0.217 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
248 ATOM 248 N ASN A 39 30.978 -53.550 68.664 1.00 32.87 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
249 ATOM 249 HN ASN A 39 30.017 -53.347 68.938 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
250 ATOM 250 CA ASN A 39 31.907 -52.425 68.430 1.00 36.94 0.185 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
251 ATOM 251 C ASN A 39 32.990 -52.421 69.512 1.00 33.83 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
252 ATOM 252 O ASN A 39 32.670 -52.338 70.679 1.00 33.81 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
253 ATOM 253 CB ASN A 39 31.172 -51.076 68.471 1.00 40.47 0.137 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
254 ATOM 254 CG ASN A 39 30.109 -50.974 67.392 1.00 44.76 0.217 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
255 ATOM 255 OD1 ASN A 39 30.343 -51.350 66.235 1.00 46.33 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
256 ATOM 256 ND2 ASN A 39 28.920 -50.508 67.770 1.00 50.13 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
257 ATOM 257 1HD2 ASN A 39 28.206 -50.439 67.045 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
258 ATOM 258 2HD2 ASN A 39 28.727 -50.198 68.723 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
259 ATOM 259 N LYS A 40 34.250 -52.486 69.109 1.00 32.57 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
260 ATOM 260 HN LYS A 40 34.458 -52.264 68.135 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
261 ATOM 261 CA LYS A 40 35.358 -52.859 69.984 1.00 33.26 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
262 ATOM 262 C LYS A 40 36.365 -51.729 70.225 1.00 34.63 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
263 ATOM 263 O LYS A 40 36.851 -51.144 69.272 1.00 35.94 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
264 ATOM 264 CB LYS A 40 36.033 -54.108 69.407 1.00 34.74 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
265 ATOM 265 CG LYS A 40 35.180 -55.354 69.641 1.00 34.87 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
266 ATOM 266 CD LYS A 40 35.716 -56.642 69.057 1.00 34.95 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
267 ATOM 267 CE LYS A 40 36.988 -57.064 69.741 1.00 38.42 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
268 ATOM 268 NZ LYS A 40 36.908 -57.177 71.233 1.00 38.57 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
269 ATOM 269 HZ1 LYS A 40 37.770 -57.463 71.697 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
270 ATOM 270 HZ2 LYS A 40 36.146 -57.801 71.496 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
271 ATOM 271 HZ3 LYS A 40 36.570 -56.302 71.632 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
272 ATOM 272 N TYR A 41 36.615 -51.413 71.511 1.00 35.88 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
273 ATOM 273 HN TYR A 41 36.070 -51.902 72.221 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
274 ATOM 274 CA TYR A 41 37.607 -50.423 71.990 1.00 33.87 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
275 ATOM 275 C TYR A 41 38.480 -51.135 73.012 1.00 33.61 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
276 ATOM 276 O TYR A 41 37.996 -52.075 73.664 1.00 32.71 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
277 ATOM 277 CB TYR A 41 36.947 -49.219 72.693 1.00 35.30 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
278 ATOM 278 CG TYR A 41 36.096 -48.368 71.802 1.00 37.14 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
279 ATOM 279 CD1 TYR A 41 34.861 -48.833 71.344 1.00 41.65 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
280 ATOM 280 CD2 TYR A 41 36.541 -47.123 71.349 1.00 40.76 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
281 ATOM 281 CE1 TYR A 41 34.077 -48.073 70.478 1.00 43.26 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
282 ATOM 282 CE2 TYR A 41 35.772 -46.354 70.475 1.00 41.56 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
283 ATOM 283 CZ TYR A 41 34.535 -46.831 70.051 1.00 45.18 0.065 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
284 ATOM 284 OH TYR A 41 33.737 -46.080 69.214 1.00 47.77 -0.361 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
285 ATOM 285 HH TYR A 41 32.893 -46.406 68.925 1.00 0.00 0.217 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
286 ATOM 286 N SER A 42 39.756 -50.707 73.136 1.00 30.74 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
287 ATOM 287 HN SER A 42 40.104 -50.030 72.457 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
288 ATOM 288 CA SER A 42 40.669 -51.159 74.189 1.00 28.09 0.200 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
289 ATOM 289 C SER A 42 41.258 -49.949 74.926 1.00 28.02 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
290 ATOM 290 O SER A 42 41.402 -48.869 74.344 1.00 26.87 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
291 ATOM 291 CB SER A 42 41.802 -52.020 73.645 1.00 30.45 0.199 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
292 ATOM 292 OG SER A 42 41.338 -53.186 72.976 1.00 33.65 -0.398 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
293 ATOM 293 HG SER A 42 42.045 -53.723 72.637 1.00 0.00 0.209 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
294 ATOM 294 N VAL A 43 41.547 -50.130 76.225 1.00 28.46 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
295 ATOM 295 HN VAL A 43 41.246 -50.994 76.675 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
296 ATOM 296 CA VAL A 43 42.272 -49.147 77.022 1.00 29.83 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
297 ATOM 297 C VAL A 43 43.439 -49.827 77.699 1.00 30.64 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
298 ATOM 298 O VAL A 43 43.378 -51.030 77.989 1.00 31.08 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
299 ATOM 299 CB VAL A 43 41.433 -48.383 78.092 1.00 30.64 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
300 ATOM 300 CG1 VAL A 43 40.329 -47.588 77.448 1.00 32.08 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
301 ATOM 301 CG2 VAL A 43 40.823 -49.302 79.122 1.00 31.72 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
302 ATOM 302 N LEU A 44 44.502 -49.035 77.910 1.00 30.54 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
303 ATOM 303 HN LEU A 44 44.484 -48.094 77.517 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
304 ATOM 304 CA LEU A 44 45.672 -49.435 78.661 1.00 30.37 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
305 ATOM 305 C LEU A 44 45.679 -48.770 80.028 1.00 28.25 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
306 ATOM 306 O LEU A 44 45.547 -47.566 80.127 1.00 30.11 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
307 ATOM 307 CB LEU A 44 46.925 -49.026 77.893 1.00 30.48 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
308 ATOM 308 CG LEU A 44 48.258 -49.509 78.463 1.00 28.05 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
309 ATOM 309 CD1 LEU A 44 48.379 -51.001 78.331 1.00 28.81 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
310 ATOM 310 CD2 LEU A 44 49.446 -48.832 77.787 1.00 27.97 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
311 ATOM 311 N LEU A 45 45.843 -49.575 81.067 1.00 29.00 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
312 ATOM 312 HN LEU A 45 45.842 -50.581 80.898 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
313 ATOM 313 CA LEU A 45 46.026 -49.109 82.443 1.00 30.00 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
314 ATOM 314 C LEU A 45 47.538 -49.159 82.724 1.00 28.65 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
315 ATOM 315 O LEU A 45 48.068 -50.229 83.021 1.00 28.47 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
316 ATOM 316 CB LEU A 45 45.250 -50.008 83.418 1.00 33.37 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
317 ATOM 317 CG LEU A 45 43.708 -49.864 83.541 1.00 37.04 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
318 ATOM 318 CD1 LEU A 45 43.036 -49.481 82.239 1.00 38.49 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
319 ATOM 319 CD2 LEU A 45 43.052 -51.127 84.060 1.00 39.21 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
320 ATOM 320 N PRO A 46 48.247 -48.031 82.562 1.00 27.90 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
321 ATOM 321 CA PRO A 46 49.706 -48.072 82.624 1.00 28.84 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
322 ATOM 322 C PRO A 46 50.267 -47.885 84.056 1.00 28.93 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
323 ATOM 323 O PRO A 46 49.991 -46.875 84.688 1.00 29.13 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
324 ATOM 324 CB PRO A 46 50.119 -46.921 81.689 1.00 29.05 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
325 ATOM 325 CG PRO A 46 48.867 -46.277 81.213 1.00 29.73 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
326 ATOM 326 CD PRO A 46 47.813 -46.674 82.207 1.00 29.77 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
327 ATOM 327 N LEU A 47 50.965 -48.904 84.564 1.00 29.50 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
328 ATOM 328 HN LEU A 47 51.076 -49.742 83.994 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
329 ATOM 329 CA LEU A 47 51.579 -48.887 85.889 1.00 32.12 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
330 ATOM 330 C LEU A 47 53.026 -48.436 85.823 1.00 33.16 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
331 ATOM 331 O LEU A 47 53.813 -49.012 85.091 1.00 31.34 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
332 ATOM 332 CB LEU A 47 51.587 -50.266 86.519 1.00 33.16 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
333 ATOM 333 CG LEU A 47 50.273 -50.705 87.134 1.00 36.86 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
334 ATOM 334 CD1 LEU A 47 50.442 -52.147 87.589 1.00 39.05 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
335 ATOM 335 CD2 LEU A 47 49.842 -49.791 88.282 1.00 37.88 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
336 ATOM 336 N VAL A 48 53.359 -47.454 86.651 1.00 35.19 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
337 ATOM 337 HN VAL A 48 52.642 -47.105 87.286 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
338 ATOM 338 CA VAL A 48 54.678 -46.841 86.715 1.00 37.27 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
339 ATOM 339 C VAL A 48 55.192 -46.934 88.148 1.00 34.93 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
340 ATOM 340 O VAL A 48 54.511 -46.472 89.059 1.00 32.33 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
341 ATOM 341 CB VAL A 48 54.554 -45.352 86.347 1.00 40.61 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
342 ATOM 342 CG1 VAL A 48 55.858 -44.605 86.591 1.00 45.11 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
343 ATOM 343 CG2 VAL A 48 54.148 -45.207 84.883 1.00 45.33 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
344 ATOM 344 N ALA A 49 56.387 -47.487 88.338 1.00 36.00 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
345 ATOM 345 HN ALA A 49 56.845 -47.950 87.553 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
346 ATOM 346 CA ALA A 49 57.080 -47.455 89.656 1.00 40.78 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
347 ATOM 347 C ALA A 49 57.953 -46.203 89.850 1.00 41.66 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
348 ATOM 348 O ALA A 49 58.778 -45.918 89.024 1.00 47.69 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
349 ATOM 349 CB ALA A 49 57.915 -48.698 89.834 1.00 41.39 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
350 ATOM 350 N LYS A 50 57.776 -45.492 90.963 1.00 47.21 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
351 ATOM 351 HN LYS A 50 57.161 -45.877 91.680 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
352 ATOM 352 CA LYS A 50 58.407 -44.190 91.228 1.00 47.99 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
353 ATOM 353 C LYS A 50 58.493 -44.028 92.765 1.00 49.56 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
354 ATOM 354 O LYS A 50 57.492 -44.229 93.467 1.00 43.65 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
355 ATOM 355 CB LYS A 50 57.517 -43.088 90.642 1.00 54.47 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
356 ATOM 356 CG LYS A 50 58.184 -42.001 89.829 1.00 62.72 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
357 ATOM 357 CD LYS A 50 58.317 -40.701 90.609 1.00 70.59 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
358 ATOM 358 CE LYS A 50 57.013 -39.911 90.657 1.00 75.12 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
359 ATOM 359 NZ LYS A 50 56.960 -39.021 91.852 1.00 74.77 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
360 ATOM 360 HZ1 LYS A 50 56.088 -38.493 91.884 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
361 ATOM 361 HZ2 LYS A 50 57.772 -38.405 91.896 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
362 ATOM 362 HZ3 LYS A 50 57.112 -39.544 92.714 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
363 ATOM 363 N GLU A 51 59.682 -43.696 93.284 1.00 49.40 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
364 ATOM 364 HN GLU A 51 60.477 -43.613 92.651 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
365 ATOM 365 CA GLU A 51 59.904 -43.445 94.709 1.00 43.93 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
366 ATOM 366 C GLU A 51 59.518 -44.605 95.575 1.00 38.87 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
367 ATOM 367 O GLU A 51 59.008 -44.432 96.669 1.00 40.86 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
368 ATOM 368 CB GLU A 51 59.174 -42.185 95.171 1.00 51.40 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
369 ATOM 369 CG GLU A 51 59.653 -40.916 94.494 1.00 59.51 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
370 ATOM 370 CD GLU A 51 58.876 -39.686 94.933 1.00 70.89 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
371 ATOM 371 OE1 GLU A 51 58.842 -38.709 94.155 1.00 83.77 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
372 ATOM 372 OE2 GLU A 51 58.290 -39.682 96.044 1.00 78.42 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
373 ATOM 373 N GLY A 52 59.776 -45.797 95.081 1.00 38.77 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
374 ATOM 374 HN GLY A 52 60.245 -45.861 94.178 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
375 ATOM 375 CA GLY A 52 59.422 -47.020 95.765 1.00 41.51 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
376 ATOM 376 C GLY A 52 57.955 -47.437 95.749 1.00 45.30 0.236 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
377 ATOM 377 O GLY A 52 57.615 -48.403 96.430 1.00 49.45 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
378 ATOM 378 N LYS A 53 57.097 -46.767 94.970 1.00 43.42 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
379 ATOM 379 HN LYS A 53 57.465 -46.073 94.319 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
380 ATOM 380 CA LYS A 53 55.629 -46.994 95.016 1.00 48.49 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
381 ATOM 381 C LYS A 53 55.019 -47.138 93.617 1.00 42.79 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
382 ATOM 382 O LYS A 53 55.452 -46.471 92.675 1.00 38.98 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
383 ATOM 383 CB LYS A 53 54.954 -45.851 95.806 1.00 51.67 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
384 ATOM 384 CG LYS A 53 55.230 -45.971 97.310 1.00 61.93 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
385 ATOM 385 CD LYS A 53 54.971 -44.724 98.168 1.00 74.73 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
386 ATOM 386 CE LYS A 53 55.519 -43.407 97.604 1.00 80.53 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
387 ATOM 387 NZ LYS A 53 54.580 -42.709 96.664 1.00 82.31 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
388 ATOM 388 HZ1 LYS A 53 54.944 -41.833 96.289 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
389 ATOM 389 HZ2 LYS A 53 53.674 -42.559 97.108 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
390 ATOM 390 HZ3 LYS A 53 54.300 -43.334 95.908 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
391 ATOM 391 N LEU A 54 54.022 -48.009 93.465 1.00 41.84 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
392 ATOM 392 HN LEU A 54 53.744 -48.606 94.244 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
393 ATOM 393 CA LEU A 54 53.314 -48.112 92.159 1.00 38.43 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
394 ATOM 394 C LEU A 54 52.386 -46.923 91.997 1.00 34.22 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
395 ATOM 395 O LEU A 54 51.773 -46.472 92.985 1.00 36.40 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
396 ATOM 396 CB LEU A 54 52.545 -49.421 92.020 1.00 37.44 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
397 ATOM 397 CG LEU A 54 53.373 -50.696 91.925 1.00 40.29 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
398 ATOM 398 CD1 LEU A 54 52.451 -51.902 91.970 1.00 42.52 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
399 ATOM 399 CD2 LEU A 54 54.248 -50.756 90.678 1.00 41.15 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
400 ATOM 400 N HIS A 55 52.327 -46.413 90.768 1.00 34.04 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
401 ATOM 401 HN HIS A 55 52.960 -46.802 90.070 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
402 ATOM 402 CA HIS A 55 51.417 -45.326 90.330 1.00 35.28 0.182 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
403 ATOM 403 C HIS A 55 50.667 -45.726 89.035 1.00 35.27 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
404 ATOM 404 O HIS A 55 51.160 -46.561 88.285 1.00 32.70 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
405 ATOM 405 CB HIS A 55 52.224 -44.089 89.953 1.00 37.12 0.093 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
406 ATOM 406 CG HIS A 55 52.967 -43.459 91.087 1.00 37.38 0.028 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
407 ATOM 407 ND1 HIS A 55 54.070 -44.044 91.677 1.00 38.95 -0.354 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
408 ATOM 408 HD1 HIS A 55 54.481 -44.938 91.409 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
409 ATOM 409 CD2 HIS A 55 52.792 -42.270 91.703 1.00 35.72 0.114 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
410 ATOM 410 CE1 HIS A 55 54.506 -43.259 92.643 1.00 38.27 0.180 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
411 ATOM 411 NE2 HIS A 55 53.758 -42.172 92.669 1.00 38.23 -0.360 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
412 ATOM 412 HE2 HIS A 55 53.880 -41.385 93.306 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
413 ATOM 413 N LEU A 56 49.504 -45.110 88.776 1.00 34.13 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
414 ATOM 414 HN LEU A 56 49.072 -44.563 89.521 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
415 ATOM 415 CA LEU A 56 48.820 -45.180 87.480 1.00 33.44 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
416 ATOM 416 C LEU A 56 49.001 -43.866 86.698 1.00 33.43 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
417 ATOM 417 O LEU A 56 48.935 -42.773 87.262 1.00 31.55 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
418 ATOM 418 CB LEU A 56 47.314 -45.443 87.652 1.00 34.80 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
419 ATOM 419 CG LEU A 56 46.856 -46.892 87.889 1.00 36.73 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
420 ATOM 420 CD1 LEU A 56 45.415 -46.965 88.403 1.00 40.12 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
421 ATOM 421 CD2 LEU A 56 46.955 -47.721 86.629 1.00 34.07 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
422 ATOM 422 N LEU A 57 49.175 -43.997 85.390 1.00 32.43 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
423 ATOM 423 HN LEU A 57 49.261 -44.940 85.010 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
424 ATOM 424 CA LEU A 57 49.251 -42.871 84.458 1.00 34.60 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
425 ATOM 425 C LEU A 57 47.896 -42.577 83.762 1.00 35.03 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
426 ATOM 426 O LEU A 57 47.314 -43.484 83.137 1.00 31.31 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
427 ATOM 427 CB LEU A 57 50.316 -43.201 83.400 1.00 36.89 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
428 ATOM 428 CG LEU A 57 50.673 -42.152 82.342 1.00 40.14 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
429 ATOM 429 CD1 LEU A 57 52.143 -42.229 81.977 1.00 40.63 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
430 ATOM 430 CD2 LEU A 57 49.856 -42.360 81.074 1.00 43.79 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
431 ATOM 431 N PHE A 58 47.443 -41.310 83.845 1.00 34.61 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
432 ATOM 432 HN PHE A 58 48.004 -40.640 84.370 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
433 ATOM 433 CA PHE A 58 46.192 -40.824 83.230 1.00 34.73 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
434 ATOM 434 C PHE A 58 46.476 -39.752 82.169 1.00 39.11 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
435 ATOM 435 O PHE A 58 47.558 -39.145 82.152 1.00 42.59 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
436 ATOM 436 CB PHE A 58 45.263 -40.219 84.306 1.00 35.21 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
437 ATOM 437 CG PHE A 58 44.878 -41.187 85.423 1.00 35.55 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
438 ATOM 438 CD1 PHE A 58 45.727 -41.405 86.513 1.00 35.04 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
439 ATOM 439 CD2 PHE A 58 43.680 -41.905 85.369 1.00 33.75 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
440 ATOM 440 CE1 PHE A 58 45.384 -42.285 87.519 1.00 35.29 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
441 ATOM 441 CE2 PHE A 58 43.345 -42.805 86.360 1.00 33.87 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
442 ATOM 442 CZ PHE A 58 44.176 -42.975 87.453 1.00 36.47 0.000 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
443 ATOM 443 N THR A 59 45.510 -39.538 81.274 1.00 39.45 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
444 ATOM 444 HN THR A 59 44.712 -40.174 81.268 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
445 ATOM 445 CA THR A 59 45.526 -38.443 80.297 1.00 37.61 0.205 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
446 ATOM 446 C THR A 59 44.362 -37.520 80.601 1.00 39.16 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
447 ATOM 447 O THR A 59 43.324 -37.982 81.086 1.00 39.15 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
448 ATOM 448 CB THR A 59 45.341 -38.928 78.849 1.00 37.75 0.146 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
449 ATOM 449 OG1 THR A 59 44.091 -39.614 78.720 1.00 44.11 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
450 ATOM 450 HG1 THR A 59 43.387 -39.038 78.995 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
451 ATOM 451 CG2 THR A 59 46.468 -39.851 78.409 1.00 35.82 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
452 ATOM 452 N VAL A 60 44.550 -36.220 80.358 1.00 36.94 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
453 ATOM 453 HN VAL A 60 45.503 -35.870 80.256 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
454 ATOM 454 CA VAL A 60 43.443 -35.289 80.234 1.00 36.16 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
455 ATOM 455 C VAL A 60 43.195 -35.166 78.724 1.00 40.02 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
456 ATOM 456 O VAL A 60 44.107 -34.817 77.955 1.00 38.32 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
457 ATOM 457 CB VAL A 60 43.771 -33.918 80.858 1.00 37.55 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
458 ATOM 458 CG1 VAL A 60 42.581 -32.959 80.774 1.00 37.42 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
459 ATOM 459 CG2 VAL A 60 44.205 -34.074 82.308 1.00 36.21 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
460 ATOM 460 N ARG A 61 41.981 -35.488 78.288 1.00 41.09 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
461 ATOM 461 HN ARG A 61 41.289 -35.842 78.948 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
462 ATOM 462 CA ARG A 61 41.620 -35.342 76.871 1.00 48.19 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
463 ATOM 463 C ARG A 61 41.643 -33.880 76.414 1.00 47.15 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
464 ATOM 464 O ARG A 61 41.298 -32.989 77.189 1.00 45.38 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
465 ATOM 465 CB ARG A 61 40.221 -35.893 76.619 1.00 53.27 0.036 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
466 ATOM 466 CG ARG A 61 40.125 -37.404 76.767 1.00 58.55 0.023 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
467 ATOM 467 CD ARG A 61 38.667 -37.852 76.842 1.00 62.72 0.138 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
468 ATOM 468 NE ARG A 61 38.005 -37.775 75.539 1.00 64.67 -0.227 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
469 ATOM 469 HE ARG A 61 37.364 -36.997 75.384 1.00 0.00 0.177 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
470 ATOM 470 CZ ARG A 61 38.173 -38.645 74.532 1.00 70.61 0.665 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
471 ATOM 471 NH1 ARG A 61 38.989 -39.699 74.648 1.00 66.43 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
472 ATOM 472 1HH1 ARG A 61 39.496 -39.836 75.522 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
473 ATOM 473 2HH1 ARG A 61 39.117 -40.361 73.882 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
474 ATOM 474 NH2 ARG A 61 37.509 -38.465 73.387 1.00 75.85 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
475 ATOM 475 1HH2 ARG A 61 36.887 -37.661 73.299 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
476 ATOM 476 2HH2 ARG A 61 37.637 -39.127 72.621 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
477 ATOM 477 N SER A 62 42.045 -33.647 75.168 1.00 48.53 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
478 ATOM 478 HN SER A 62 42.329 -34.434 74.585 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
479 ATOM 479 CA SER A 62 42.093 -32.287 74.605 1.00 61.00 0.200 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
480 ATOM 480 C SER A 62 40.732 -31.576 74.625 1.00 64.55 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
481 ATOM 481 O SER A 62 39.684 -32.227 74.572 1.00 61.56 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
482 ATOM 482 CB SER A 62 42.589 -32.309 73.153 1.00 62.69 0.199 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
483 ATOM 483 OG SER A 62 42.380 -31.045 72.539 1.00 64.72 -0.398 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
484 ATOM 484 HG SER A 62 42.687 -31.059 71.640 1.00 0.00 0.209 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
485 ATOM 485 N GLU A 63 40.769 -30.243 74.665 1.00 70.54 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
486 ATOM 486 HN GLU A 63 41.672 -29.778 74.762 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
487 ATOM 487 CA GLU A 63 39.545 -29.417 74.574 1.00 77.31 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
488 ATOM 488 C GLU A 63 38.844 -29.481 73.208 1.00 83.41 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
489 ATOM 489 O GLU A 63 37.617 -29.542 73.158 1.00 81.58 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
490 ATOM 490 CB GLU A 63 39.846 -27.961 74.925 1.00 77.49 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
491 ATOM 491 CG GLU A 63 40.314 -27.750 76.357 1.00 81.08 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
492 ATOM 492 CD GLU A 63 39.310 -28.237 77.390 1.00 83.76 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
493 ATOM 493 OE1 GLU A 63 38.101 -28.334 77.073 1.00 84.32 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
494 ATOM 494 OE2 GLU A 63 39.734 -28.527 78.527 1.00 87.96 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
495 ATOM 495 N LYS A 64 39.632 -29.485 72.124 1.00 94.29 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
496 ATOM 496 HN LYS A 64 40.631 -29.329 72.262 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
497 ATOM 497 CA LYS A 64 39.151 -29.701 70.734 1.00 96.55 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
498 ATOM 498 C LYS A 64 38.188 -30.887 70.550 1.00 93.59 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
499 ATOM 499 O LYS A 64 37.279 -30.833 69.727 1.00100.90 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
500 ATOM 500 CB LYS A 64 40.339 -29.953 69.777 1.00102.92 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
501 ATOM 501 CG LYS A 64 41.251 -28.766 69.490 1.00109.14 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
502 ATOM 502 CD LYS A 64 42.378 -29.168 68.521 1.00113.30 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
503 ATOM 503 CE LYS A 64 41.929 -29.155 67.050 1.00117.46 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
504 ATOM 504 NZ LYS A 64 41.487 -27.796 66.576 1.00120.01 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
505 ATOM 505 HZ1 LYS A 64 41.189 -27.787 65.600 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
506 ATOM 506 HZ2 LYS A 64 42.215 -27.100 66.739 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
507 ATOM 507 HZ3 LYS A 64 40.757 -27.420 67.181 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
508 ATOM 508 N LEU A 65 38.409 -31.959 71.297 1.00 91.22 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
509 ATOM 509 HN LEU A 65 39.031 -31.885 72.102 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
510 ATOM 510 CA LEU A 65 37.787 -33.237 70.998 1.00 93.53 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
511 ATOM 511 C LEU A 65 36.260 -33.240 70.905 1.00 97.97 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
512 ATOM 512 O LEU A 65 35.569 -32.605 71.704 1.00 89.78 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
513 ATOM 513 CB LEU A 65 38.248 -34.312 72.002 1.00 91.00 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
514 ATOM 514 CG LEU A 65 39.674 -34.863 71.837 1.00 91.92 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
515 ATOM 515 CD1 LEU A 65 39.884 -36.083 72.729 1.00 88.15 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
516 ATOM 516 CD2 LEU A 65 40.006 -35.214 70.388 1.00 90.32 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
517 ATOM 517 N ARG A 66 35.799 -33.869 69.822 1.00107.53 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
518 ATOM 518 HN ARG A 66 36.349 -33.772 68.968 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
519 ATOM 519 CA ARG A 66 34.574 -34.692 69.732 1.00110.13 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
520 ATOM 520 C ARG A 66 33.827 -35.000 71.070 1.00104.48 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
521 ATOM 521 O ARG A 66 33.156 -34.125 71.613 1.00 97.31 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
522 ATOM 522 CB ARG A 66 34.954 -35.996 68.975 1.00115.40 0.036 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
523 ATOM 523 CG ARG A 66 36.307 -36.593 69.418 1.00116.99 0.023 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
524 ATOM 524 CD ARG A 66 36.338 -38.115 69.501 1.00117.50 0.138 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
525 ATOM 525 NE ARG A 66 36.420 -38.728 68.179 1.00125.39 -0.227 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
526 ATOM 526 HE ARG A 66 35.565 -39.135 67.800 1.00 0.00 0.177 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
527 ATOM 527 CZ ARG A 66 37.521 -38.801 67.422 1.00122.17 0.665 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
528 ATOM 528 NH1 ARG A 66 38.690 -38.293 67.826 1.00114.96 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
529 ATOM 529 1HH1 ARG A 66 39.529 -38.349 67.249 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
530 ATOM 530 2HH1 ARG A 66 38.748 -37.842 68.739 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
531 ATOM 531 NH2 ARG A 66 37.446 -39.389 66.231 1.00121.03 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
532 ATOM 532 1HH2 ARG A 66 38.285 -39.445 65.654 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
533 ATOM 533 2HH2 ARG A 66 36.554 -39.777 65.923 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
534 ATOM 534 N ARG A 67 33.945 -36.222 71.593 1.00103.29 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
535 ATOM 535 HN ARG A 67 34.564 -36.887 71.129 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
536 ATOM 536 CA ARG A 67 33.241 -36.659 72.788 1.00102.09 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
537 ATOM 537 C ARG A 67 34.125 -36.397 74.024 1.00 94.43 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
538 ATOM 538 O ARG A 67 35.283 -36.820 74.071 1.00 88.70 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
539 ATOM 539 CB ARG A 67 32.910 -38.164 72.658 1.00115.39 0.036 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
540 ATOM 540 CG ARG A 67 32.044 -38.783 73.770 1.00120.49 0.023 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
541 ATOM 541 CD ARG A 67 31.725 -40.270 73.548 1.00122.72 0.138 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
542 ATOM 542 NE ARG A 67 32.809 -41.009 72.879 1.00127.07 -0.227 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
543 ATOM 543 HE ARG A 67 32.655 -41.276 71.907 1.00 0.00 0.177 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
544 ATOM 544 CZ ARG A 67 33.978 -41.363 73.428 1.00118.95 0.665 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
545 ATOM 545 NH1 ARG A 67 34.267 -41.069 74.695 1.00116.64 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
546 ATOM 546 1HH1 ARG A 67 33.579 -40.567 75.256 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
547 ATOM 547 2HH1 ARG A 67 35.157 -41.339 75.113 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
548 ATOM 548 NH2 ARG A 67 34.879 -42.020 72.694 1.00112.91 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
549 ATOM 549 1HH2 ARG A 67 34.658 -42.245 71.724 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
550 ATOM 550 2HH2 ARG A 67 35.769 -42.290 73.112 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
551 ATOM 551 N ALA A 68 33.573 -35.677 75.000 1.00 84.97 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
552 ATOM 552 HN ALA A 68 32.728 -35.148 74.786 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
553 ATOM 553 CA ALA A 68 34.109 -35.599 76.369 1.00 79.74 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
554 ATOM 554 C ALA A 68 35.438 -34.838 76.477 1.00 77.99 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
555 ATOM 555 O ALA A 68 36.406 -35.351 77.050 1.00 79.77 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
556 ATOM 556 CB ALA A 68 34.218 -37.004 76.979 1.00 75.16 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
557 ATOM 557 N PRO A 69 35.475 -33.590 75.969 1.00 72.09 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
558 ATOM 558 CA PRO A 69 36.718 -32.823 76.012 1.00 67.05 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
559 ATOM 559 C PRO A 69 37.081 -32.455 77.448 1.00 62.12 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
560 ATOM 560 O PRO A 69 36.187 -32.303 78.288 1.00 57.63 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
561 ATOM 561 CB PRO A 69 36.371 -31.565 75.208 1.00 70.41 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
562 ATOM 562 CG PRO A 69 34.919 -31.349 75.503 1.00 70.15 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
563 ATOM 563 CD PRO A 69 34.321 -32.732 75.618 1.00 70.71 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
564 ATOM 564 N GLY A 70 38.375 -32.331 77.738 1.00 59.56 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
565 ATOM 565 HN GLY A 70 39.067 -32.513 77.011 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
566 ATOM 566 CA GLY A 70 38.831 -31.938 79.082 1.00 53.72 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
567 ATOM 567 C GLY A 70 38.753 -33.018 80.170 1.00 53.02 0.236 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
568 ATOM 568 O GLY A 70 39.200 -32.751 81.279 1.00 54.77 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
569 ATOM 569 N GLU A 71 38.223 -34.222 79.871 1.00 49.53 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
570 ATOM 570 HN GLU A 71 37.921 -34.395 78.912 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
571 ATOM 571 CA GLU A 71 38.059 -35.305 80.870 1.00 54.05 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
572 ATOM 572 C GLU A 71 39.302 -36.186 81.077 1.00 45.47 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
573 ATOM 573 O GLU A 71 40.121 -36.390 80.168 1.00 38.87 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
574 ATOM 574 CB GLU A 71 36.884 -36.239 80.525 1.00 61.99 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
575 ATOM 575 CG GLU A 71 35.523 -35.553 80.376 1.00 75.34 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
576 ATOM 576 CD GLU A 71 34.810 -35.227 81.687 1.00 80.01 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
577 ATOM 577 OE1 GLU A 71 33.564 -35.272 81.689 1.00 89.68 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
578 ATOM 578 OE2 GLU A 71 35.461 -34.916 82.711 1.00 92.16 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
579 ATOM 579 N VAL A 72 39.387 -36.716 82.287 1.00 38.85 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
580 ATOM 580 HN VAL A 72 38.675 -36.475 82.976 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
581 ATOM 581 CA VAL A 72 40.442 -37.618 82.673 1.00 38.12 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
582 ATOM 582 C VAL A 72 40.059 -39.017 82.174 1.00 39.02 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
583 ATOM 583 O VAL A 72 38.972 -39.515 82.481 1.00 39.98 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
584 ATOM 584 CB VAL A 72 40.697 -37.578 84.200 1.00 35.88 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
585 ATOM 585 CG1 VAL A 72 41.708 -38.635 84.628 1.00 37.80 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
586 ATOM 586 CG2 VAL A 72 41.210 -36.207 84.599 1.00 35.07 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
587 ATOM 587 N CYS A 73 40.963 -39.619 81.401 0.62 41.19 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
588 ATOM 588 HN CYS A 73 41.847 -39.136 81.237 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
589 ATOM 589 CA CYS A 73 40.772 -40.923 80.774 0.62 42.06 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
590 ATOM 590 C CYS A 73 42.100 -41.721 80.851 0.62 38.81 0.242 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
591 ATOM 591 O CYS A 73 43.119 -41.205 81.310 0.62 35.54 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
592 ATOM 592 CB CYS A 73 40.331 -40.717 79.311 0.62 48.22 0.120 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
593 ATOM 593 SG CYS A 73 38.976 -41.782 78.753 0.62 64.83 -0.095 SA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
594 ATOM 594 N PHE A 74 42.059 -42.985 80.445 1.00 34.03 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
595 ATOM 595 HN PHE A 74 41.146 -43.416 80.298 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
596 ATOM 596 CA PHE A 74 43.237 -43.779 80.201 1.00 30.91 0.181 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
597 ATOM 597 C PHE A 74 43.484 -43.751 78.693 1.00 30.88 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
598 ATOM 598 O PHE A 74 42.572 -43.505 77.916 1.00 31.10 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
599 ATOM 599 CB PHE A 74 43.026 -45.238 80.651 1.00 30.60 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
600 ATOM 600 CG PHE A 74 43.034 -45.438 82.142 1.00 30.58 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
601 ATOM 601 CD1 PHE A 74 44.201 -45.218 82.881 1.00 30.01 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
602 ATOM 602 CD2 PHE A 74 41.897 -45.889 82.809 1.00 30.54 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
603 ATOM 603 CE1 PHE A 74 44.231 -45.387 84.243 1.00 29.15 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
604 ATOM 604 CE2 PHE A 74 41.916 -46.080 84.190 1.00 30.42 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
605 ATOM 605 CZ PHE A 74 43.085 -45.842 84.902 1.00 32.63 0.000 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
606 ATOM 606 N PRO A 75 44.731 -43.989 78.271 1.00 31.11 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
607 ATOM 607 CA PRO A 75 44.985 -44.098 76.840 1.00 30.56 0.179 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
608 ATOM 608 C PRO A 75 44.202 -45.260 76.217 1.00 32.16 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
609 ATOM 609 O PRO A 75 44.038 -46.322 76.851 1.00 29.88 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
610 ATOM 610 CB PRO A 75 46.494 -44.391 76.749 1.00 30.04 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
611 ATOM 611 CG PRO A 75 47.037 -44.360 78.121 1.00 30.31 0.022 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
612 ATOM 612 CD PRO A 75 45.949 -44.099 79.100 1.00 29.75 0.127 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
613 ATOM 613 N GLY A 76 43.733 -45.072 74.987 1.00 33.20 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
614 ATOM 614 HN GLY A 76 43.888 -44.180 74.518 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
615 ATOM 615 CA GLY A 76 42.997 -46.132 74.302 1.00 34.02 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
616 ATOM 616 C GLY A 76 42.171 -45.634 73.157 1.00 32.68 0.235 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
617 ATOM 617 O GLY A 76 42.167 -44.465 72.880 1.00 28.88 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
618 ATOM 618 N GLY A 77 41.445 -46.537 72.511 1.00 34.36 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
619 ATOM 619 HN GLY A 77 41.455 -47.507 72.825 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
620 ATOM 620 CA GLY A 77 40.637 -46.166 71.364 1.00 32.05 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
621 ATOM 621 C GLY A 77 40.092 -47.348 70.628 1.00 34.62 0.236 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
622 ATOM 622 O GLY A 77 40.163 -48.493 71.105 1.00 35.31 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
623 ATOM 623 N LYS A 78 39.587 -47.065 69.431 1.00 36.08 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
624 ATOM 624 HN LYS A 78 39.765 -46.142 69.035 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
625 ATOM 625 CA LYS A 78 38.793 -48.009 68.659 1.00 34.84 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
626 ATOM 626 C LYS A 78 39.651 -48.998 67.920 1.00 31.95 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
627 ATOM 627 O LYS A 78 40.637 -48.634 67.342 1.00 35.70 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
628 ATOM 628 CB LYS A 78 37.942 -47.228 67.676 1.00 37.60 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
629 ATOM 629 CG LYS A 78 36.913 -48.045 66.927 1.00 44.20 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
630 ATOM 630 CD LYS A 78 35.795 -47.121 66.455 1.00 50.79 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
631 ATOM 631 CE LYS A 78 34.945 -47.734 65.341 1.00 56.26 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
632 ATOM 632 NZ LYS A 78 34.497 -49.118 65.633 1.00 56.19 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
633 ATOM 633 HZ1 LYS A 78 33.930 -49.527 64.890 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
634 ATOM 634 HZ2 LYS A 78 34.006 -49.158 66.526 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
635 ATOM 635 HZ3 LYS A 78 35.293 -49.717 65.851 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
636 ATOM 636 N ARG A 79 39.281 -50.270 67.923 1.00 33.69 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
637 ATOM 637 HN ARG A 79 38.455 -50.550 68.452 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
638 ATOM 638 CA ARG A 79 40.039 -51.286 67.177 1.00 32.28 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
639 ATOM 639 C ARG A 79 39.987 -51.018 65.690 1.00 30.58 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
640 ATOM 640 O ARG A 79 39.001 -50.495 65.204 1.00 27.95 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
641 ATOM 641 CB ARG A 79 39.484 -52.671 67.430 1.00 33.26 0.036 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
642 ATOM 642 CG ARG A 79 40.287 -53.776 66.755 1.00 33.99 0.023 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
643 ATOM 643 CD ARG A 79 39.974 -55.139 67.335 1.00 35.30 0.138 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
644 ATOM 644 NE ARG A 79 40.590 -56.243 66.573 1.00 36.42 -0.227 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
645 ATOM 645 HE ARG A 79 40.933 -56.037 65.635 1.00 0.00 0.177 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
646 ATOM 646 CZ ARG A 79 40.731 -57.496 67.025 1.00 36.61 0.665 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
647 ATOM 647 NH1 ARG A 79 40.332 -57.845 68.255 1.00 38.42 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
648 ATOM 648 1HH1 ARG A 79 39.904 -57.135 68.850 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
649 ATOM 649 2HH1 ARG A 79 40.439 -58.799 68.599 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
650 ATOM 650 NH2 ARG A 79 41.287 -58.419 66.252 1.00 39.92 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
651 ATOM 651 1HH2 ARG A 79 41.591 -58.153 65.315 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
652 ATOM 652 2HH2 ARG A 79 41.394 -59.373 66.596 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
653 ATOM 653 N ASP A 80 41.064 -51.354 64.976 1.00 30.89 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
654 ATOM 654 HN ASP A 80 41.880 -51.739 65.452 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
655 ATOM 655 CA ASP A 80 41.097 -51.181 63.528 1.00 31.87 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
656 ATOM 656 C ASP A 80 41.639 -52.439 62.856 1.00 33.18 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
657 ATOM 657 O ASP A 80 42.096 -53.368 63.554 1.00 33.76 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
658 ATOM 658 CB ASP A 80 41.776 -49.830 63.112 1.00 30.86 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
659 ATOM 659 CG ASP A 80 43.324 -49.888 62.945 1.00 30.60 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
660 ATOM 660 OD1 ASP A 80 43.988 -50.954 62.889 1.00 31.12 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
661 ATOM 661 OD2 ASP A 80 43.883 -48.783 62.826 1.00 31.84 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
662 ATOM 662 N PRO A 81 41.570 -52.505 61.506 1.00 33.56 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
663 ATOM 663 CA PRO A 81 41.875 -53.809 60.884 1.00 33.85 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
664 ATOM 664 C PRO A 81 43.313 -54.240 60.945 1.00 35.35 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
665 ATOM 665 O PRO A 81 43.571 -55.432 60.765 1.00 37.07 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
666 ATOM 666 CB PRO A 81 41.414 -53.637 59.429 1.00 34.00 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
667 ATOM 667 CG PRO A 81 40.430 -52.516 59.463 1.00 33.75 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
668 ATOM 668 CD PRO A 81 40.946 -51.585 60.540 1.00 33.59 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
669 ATOM 669 N THR A 82 44.246 -53.313 61.210 1.00 39.97 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
670 ATOM 670 HN THR A 82 43.969 -52.335 61.296 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
671 ATOM 671 CA THR A 82 45.680 -53.683 61.382 1.00 39.57 0.205 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
672 ATOM 672 C THR A 82 45.993 -54.397 62.724 1.00 43.20 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
673 ATOM 673 O THR A 82 47.052 -55.035 62.844 1.00 41.80 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
674 ATOM 674 CB THR A 82 46.654 -52.471 61.249 1.00 39.22 0.146 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
675 ATOM 675 OG1 THR A 82 46.741 -51.743 62.475 1.00 39.38 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
676 ATOM 676 HG1 THR A 82 47.334 -51.005 62.394 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
677 ATOM 677 CG2 THR A 82 46.243 -51.498 60.149 1.00 41.48 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
678 ATOM 678 N ASP A 83 45.115 -54.269 63.738 1.00 42.22 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
679 ATOM 679 HN ASP A 83 44.241 -53.767 63.583 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
680 ATOM 680 CA ASP A 83 45.397 -54.844 65.073 1.00 38.14 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
681 ATOM 681 C ASP A 83 45.251 -56.369 65.027 1.00 39.26 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
682 ATOM 682 O ASP A 83 44.193 -56.864 64.622 1.00 40.53 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
683 ATOM 683 CB ASP A 83 44.452 -54.282 66.132 1.00 34.13 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
684 ATOM 684 CG ASP A 83 44.579 -52.793 66.314 1.00 32.80 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
685 ATOM 685 OD1 ASP A 83 45.704 -52.277 66.312 1.00 31.27 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
686 ATOM 686 OD2 ASP A 83 43.544 -52.113 66.481 1.00 31.18 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
687 ATOM 687 N MET A 84 46.300 -57.087 65.444 1.00 39.04 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
688 ATOM 688 HN MET A 84 47.158 -56.590 65.685 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
689 ATOM 689 CA MET A 84 46.286 -58.562 65.576 1.00 42.03 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
690 ATOM 690 C MET A 84 45.330 -59.091 66.654 1.00 39.18 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
691 ATOM 691 O MET A 84 44.823 -60.213 66.549 1.00 37.06 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
692 ATOM 692 CB MET A 84 47.698 -59.102 65.911 1.00 49.01 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
693 ATOM 693 CG MET A 84 48.688 -59.205 64.736 1.00 63.07 0.076 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
694 ATOM 694 SD MET A 84 48.495 -60.514 63.462 1.00 76.17 -0.173 SA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
695 ATOM 695 CE MET A 84 47.756 -61.900 64.352 1.00 79.33 0.089 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
696 ATOM 696 N ASP A 85 45.175 -58.333 67.736 1.00 37.50 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
697 ATOM 697 HN ASP A 85 45.694 -57.457 67.795 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
698 ATOM 698 CA ASP A 85 44.293 -58.699 68.848 1.00 34.95 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
699 ATOM 699 C ASP A 85 43.975 -57.408 69.603 1.00 33.63 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
700 ATOM 700 O ASP A 85 44.454 -56.332 69.192 1.00 33.49 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
701 ATOM 701 CB ASP A 85 44.948 -59.798 69.724 1.00 34.17 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
702 ATOM 702 CG ASP A 85 46.339 -59.407 70.256 1.00 37.77 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
703 ATOM 703 OD1 ASP A 85 46.664 -58.205 70.338 1.00 33.85 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
704 ATOM 704 OD2 ASP A 85 47.102 -60.321 70.641 1.00 41.15 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
705 ATOM 705 N ASP A 86 43.207 -57.510 70.692 1.00 30.84 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
706 ATOM 706 HN ASP A 86 42.943 -58.443 71.010 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
707 ATOM 707 CA ASP A 86 42.717 -56.341 71.465 1.00 31.03 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
708 ATOM 708 C ASP A 86 43.805 -55.582 72.224 1.00 29.07 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
709 ATOM 709 O ASP A 86 43.698 -54.367 72.441 1.00 30.37 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
710 ATOM 710 CB ASP A 86 41.548 -56.738 72.408 1.00 30.59 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
711 ATOM 711 CG ASP A 86 40.250 -57.053 71.636 1.00 32.89 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
712 ATOM 712 OD1 ASP A 86 39.880 -56.277 70.723 1.00 34.99 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
713 ATOM 713 OD2 ASP A 86 39.586 -58.074 71.935 1.00 38.14 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
714 ATOM 714 N ALA A 87 44.838 -56.302 72.620 1.00 29.85 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
715 ATOM 715 HN ALA A 87 44.807 -57.313 72.490 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
716 ATOM 716 CA ALA A 87 46.033 -55.708 73.242 1.00 30.49 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
717 ATOM 717 C ALA A 87 46.778 -54.807 72.265 1.00 30.32 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
718 ATOM 718 O ALA A 87 47.219 -53.700 72.601 1.00 27.57 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
719 ATOM 719 CB ALA A 87 46.956 -56.818 73.720 1.00 30.21 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
720 ATOM 720 N ALA A 88 46.909 -55.285 71.029 1.00 32.63 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
721 ATOM 721 HN ALA A 88 46.572 -56.223 70.811 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
722 ATOM 722 CA ALA A 88 47.537 -54.470 69.973 1.00 33.06 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
723 ATOM 723 C ALA A 88 46.848 -53.112 69.820 1.00 31.74 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
724 ATOM 724 O ALA A 88 47.529 -52.118 69.698 1.00 33.48 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
725 ATOM 725 CB ALA A 88 47.594 -55.223 68.659 1.00 33.25 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
726 ATOM 726 N THR A 89 45.511 -53.072 69.904 1.00 31.24 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
727 ATOM 727 HN THR A 89 44.998 -53.950 69.985 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
728 ATOM 728 CA THR A 89 44.746 -51.795 69.883 1.00 29.02 0.205 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
729 ATOM 729 C THR A 89 45.162 -50.825 70.968 1.00 31.56 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
730 ATOM 730 O THR A 89 45.295 -49.602 70.727 1.00 30.14 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
731 ATOM 731 CB THR A 89 43.226 -52.044 70.066 1.00 26.92 0.146 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
732 ATOM 732 OG1 THR A 89 42.748 -52.928 69.040 1.00 26.23 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
733 ATOM 733 HG1 THR A 89 41.817 -53.081 69.152 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
734 ATOM 734 CG2 THR A 89 42.423 -50.724 70.047 1.00 25.60 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
735 ATOM 735 N ALA A 90 45.320 -51.371 72.178 1.00 32.53 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
736 ATOM 736 HN ALA A 90 45.170 -52.373 72.295 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
737 ATOM 737 CA ALA A 90 45.701 -50.571 73.331 1.00 30.91 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
738 ATOM 738 C ALA A 90 47.111 -49.976 73.161 1.00 29.69 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
739 ATOM 739 O ALA A 90 47.320 -48.803 73.416 1.00 29.72 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
740 ATOM 740 CB ALA A 90 45.623 -51.414 74.591 1.00 30.30 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
741 ATOM 741 N LEU A 91 48.053 -50.803 72.729 1.00 30.28 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
742 ATOM 742 HN LEU A 91 47.808 -51.780 72.568 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
743 ATOM 743 CA LEU A 91 49.438 -50.371 72.472 1.00 33.12 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
744 ATOM 744 C LEU A 91 49.577 -49.320 71.349 1.00 34.02 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
745 ATOM 745 O LEU A 91 50.250 -48.294 71.540 1.00 32.44 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
746 ATOM 746 CB LEU A 91 50.337 -51.576 72.162 1.00 31.98 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
747 ATOM 747 CG LEU A 91 50.465 -52.614 73.291 1.00 32.97 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
748 ATOM 748 CD1 LEU A 91 51.478 -53.696 72.983 1.00 33.25 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
749 ATOM 749 CD2 LEU A 91 50.862 -51.926 74.572 1.00 34.43 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
750 ATOM 750 N ARG A 92 48.933 -49.579 70.207 1.00 34.56 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
751 ATOM 751 HN ARG A 92 48.438 -50.466 70.120 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
752 ATOM 752 CA ARG A 92 48.903 -48.641 69.062 1.00 34.54 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
753 ATOM 753 C ARG A 92 48.393 -47.266 69.442 1.00 34.67 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
754 ATOM 754 O ARG A 92 48.994 -46.253 69.099 1.00 33.40 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
755 ATOM 755 CB ARG A 92 48.054 -49.202 67.915 1.00 35.90 0.036 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
756 ATOM 756 CG ARG A 92 47.854 -48.229 66.734 1.00 36.25 0.023 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
757 ATOM 757 CD ARG A 92 47.156 -48.865 65.533 1.00 36.57 0.138 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
758 ATOM 758 NE ARG A 92 45.864 -49.453 65.918 1.00 35.43 -0.227 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
759 ATOM 759 HE ARG A 92 45.830 -50.464 66.046 1.00 0.00 0.177 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
760 ATOM 760 CZ ARG A 92 44.733 -48.774 66.114 1.00 35.88 0.665 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
761 ATOM 761 NH1 ARG A 92 44.674 -47.455 65.939 1.00 32.81 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
762 ATOM 762 1HH1 ARG A 92 45.514 -46.950 65.657 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
763 ATOM 763 2HH1 ARG A 92 43.809 -46.936 66.089 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
764 ATOM 764 NH2 ARG A 92 43.631 -49.437 66.484 1.00 37.69 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
765 ATOM 765 1HH2 ARG A 92 43.676 -50.447 66.618 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
766 ATOM 766 2HH2 ARG A 92 42.766 -48.918 66.634 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
767 ATOM 767 N GLU A 93 47.272 -47.243 70.153 1.00 36.92 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
768 ATOM 768 HN GLU A 93 46.811 -48.123 70.383 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
769 ATOM 769 CA GLU A 93 46.684 -45.992 70.613 1.00 35.92 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
770 ATOM 770 C GLU A 93 47.547 -45.253 71.664 1.00 35.67 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
771 ATOM 771 O GLU A 93 47.609 -44.036 71.641 1.00 36.88 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
772 ATOM 772 CB GLU A 93 45.259 -46.253 71.137 1.00 38.69 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
773 ATOM 773 CG GLU A 93 44.246 -46.592 70.041 1.00 42.78 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
774 ATOM 774 CD GLU A 93 43.795 -45.369 69.246 1.00 44.23 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
775 ATOM 775 OE1 GLU A 93 44.438 -44.311 69.287 1.00 55.48 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
776 ATOM 776 OE2 GLU A 93 42.782 -45.448 68.565 1.00 53.01 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
777 ATOM 777 N ALA A 94 48.193 -45.991 72.576 1.00 35.38 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
778 ATOM 778 HN ALA A 94 48.076 -47.004 72.563 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
779 ATOM 779 CA ALA A 94 49.053 -45.398 73.581 1.00 35.74 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
780 ATOM 780 C ALA A 94 50.286 -44.727 72.943 1.00 35.59 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
781 ATOM 781 O ALA A 94 50.643 -43.629 73.344 1.00 35.28 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
782 ATOM 782 CB ALA A 94 49.488 -46.434 74.590 1.00 36.18 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
783 ATOM 783 N GLN A 95 50.890 -45.371 71.947 1.00 33.87 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
784 ATOM 784 HN GLN A 95 50.571 -46.311 71.713 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
785 ATOM 785 CA GLN A 95 51.989 -44.795 71.172 1.00 37.82 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
786 ATOM 786 C GLN A 95 51.596 -43.468 70.516 1.00 40.54 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
787 ATOM 787 O GLN A 95 52.244 -42.429 70.714 1.00 40.45 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
788 ATOM 788 CB GLN A 95 52.482 -45.793 70.111 1.00 38.55 0.044 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
789 ATOM 789 CG GLN A 95 53.623 -45.247 69.235 1.00 43.88 0.105 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
790 ATOM 790 CD GLN A 95 54.570 -46.305 68.672 1.00 45.09 0.215 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
791 ATOM 791 OE1 GLN A 95 54.226 -47.473 68.506 1.00 51.97 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
792 ATOM 792 NE2 GLN A 95 55.785 -45.890 68.394 1.00 56.41 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
793 ATOM 793 1HE2 GLN A 95 56.417 -46.597 68.018 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
794 ATOM 794 2HE2 GLN A 95 56.071 -44.921 68.532 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
795 ATOM 795 N GLU A 96 50.516 -43.517 69.761 1.00 41.41 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
796 ATOM 796 HN GLU A 96 50.044 -44.412 69.629 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
797 ATOM 797 CA GLU A 96 49.982 -42.340 69.115 1.00 42.75 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
798 ATOM 798 C GLU A 96 49.559 -41.207 70.090 1.00 40.57 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
799 ATOM 799 O GLU A 96 49.725 -40.023 69.776 1.00 42.01 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
800 ATOM 800 CB GLU A 96 48.890 -42.784 68.114 1.00 50.11 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
801 ATOM 801 CG GLU A 96 47.574 -42.030 68.102 1.00 56.40 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
802 ATOM 802 CD GLU A 96 47.627 -40.687 67.414 1.00 61.19 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
803 ATOM 803 OE1 GLU A 96 48.723 -40.193 67.085 1.00 70.13 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
804 ATOM 804 OE2 GLU A 96 46.544 -40.116 67.205 1.00 67.28 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
805 ATOM 805 N GLU A 97 49.061 -41.536 71.283 1.00 39.33 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
806 ATOM 806 HN GLU A 97 49.042 -42.513 71.575 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
807 ATOM 807 CA GLU A 97 48.540 -40.492 72.178 1.00 36.43 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
808 ATOM 808 C GLU A 97 49.576 -39.895 73.122 1.00 37.62 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
809 ATOM 809 O GLU A 97 49.519 -38.706 73.403 1.00 36.28 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
810 ATOM 810 CB GLU A 97 47.354 -41.005 72.985 1.00 38.26 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
811 ATOM 811 CG GLU A 97 46.117 -41.260 72.139 1.00 41.28 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
812 ATOM 812 CD GLU A 97 45.120 -42.250 72.750 1.00 43.84 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
813 ATOM 813 OE1 GLU A 97 45.237 -42.575 73.947 1.00 41.83 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
814 ATOM 814 OE2 GLU A 97 44.220 -42.710 72.006 1.00 41.43 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
815 ATOM 815 N VAL A 98 50.479 -40.723 73.657 1.00 36.05 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
816 ATOM 816 HN VAL A 98 50.470 -41.706 73.383 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
817 ATOM 817 CA VAL A 98 51.483 -40.266 74.625 1.00 34.75 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
818 ATOM 818 C VAL A 98 52.929 -40.672 74.286 1.00 35.57 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
819 ATOM 819 O VAL A 98 53.811 -40.477 75.113 1.00 34.71 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
820 ATOM 820 CB VAL A 98 51.123 -40.749 76.048 1.00 34.09 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
821 ATOM 821 CG1 VAL A 98 49.740 -40.249 76.429 1.00 35.34 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
822 ATOM 822 CG2 VAL A 98 51.152 -42.264 76.189 1.00 32.08 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
823 ATOM 823 N GLY A 99 53.168 -41.235 73.094 1.00 35.83 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
824 ATOM 824 HN GLY A 99 52.387 -41.403 72.460 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
825 ATOM 825 CA GLY A 99 54.513 -41.615 72.678 1.00 38.31 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
826 ATOM 826 C GLY A 99 55.063 -42.920 73.241 1.00 44.31 0.236 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
827 ATOM 827 O GLY A 99 56.208 -43.292 72.948 1.00 45.74 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
828 ATOM 828 N LEU A 100 54.249 -43.658 73.993 1.00 44.35 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
829 ATOM 829 HN LEU A 100 53.302 -43.327 74.178 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
830 ATOM 830 CA LEU A 100 54.684 -44.930 74.557 1.00 43.24 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
831 ATOM 831 C LEU A 100 54.976 -45.954 73.477 1.00 41.46 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
832 ATOM 832 O LEU A 100 54.085 -46.313 72.725 1.00 44.91 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
833 ATOM 833 CB LEU A 100 53.611 -45.481 75.502 1.00 43.57 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
834 ATOM 834 CG LEU A 100 54.003 -46.688 76.353 1.00 46.01 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
835 ATOM 835 CD1 LEU A 100 55.050 -46.328 77.419 1.00 41.28 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
836 ATOM 836 CD2 LEU A 100 52.744 -47.278 76.996 1.00 49.74 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
837 ATOM 837 N ARG A 101 56.197 -46.471 73.471 1.00 41.89 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
838 ATOM 838 HN ARG A 101 56.829 -46.200 74.224 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
839 ATOM 839 CA ARG A 101 56.700 -47.398 72.467 1.00 50.27 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
840 ATOM 840 C ARG A 101 56.473 -48.859 72.927 1.00 55.62 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
841 ATOM 841 O ARG A 101 56.548 -49.141 74.138 1.00 52.62 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
842 ATOM 842 CB ARG A 101 58.194 -47.154 72.261 1.00 57.13 0.036 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
843 ATOM 843 CG ARG A 101 58.609 -46.924 70.823 1.00 67.95 0.023 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
844 ATOM 844 CD ARG A 101 58.751 -45.446 70.522 1.00 71.36 0.138 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
845 ATOM 845 NE ARG A 101 60.033 -44.949 71.026 1.00 79.19 -0.227 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
846 ATOM 846 HE ARG A 101 60.549 -45.552 71.667 1.00 0.00 0.177 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
847 ATOM 847 CZ ARG A 101 60.584 -43.769 70.716 1.00 84.76 0.665 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
848 ATOM 848 NH1 ARG A 101 59.976 -42.909 69.899 1.00 84.63 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
849 ATOM 849 1HH1 ARG A 101 59.071 -43.159 69.501 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
850 ATOM 850 2HH1 ARG A 101 60.396 -42.010 69.663 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
851 ATOM 851 NH2 ARG A 101 61.767 -43.442 71.236 1.00 90.43 -0.235 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
852 ATOM 852 1HH2 ARG A 101 62.232 -44.100 71.861 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
853 ATOM 853 2HH2 ARG A 101 62.187 -42.543 71.000 1.00 0.00 0.174 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
854 ATOM 854 N PRO A 102 56.178 -49.789 71.987 1.00 61.94 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
855 ATOM 855 CA PRO A 102 55.944 -51.157 72.480 1.00 61.92 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
856 ATOM 856 C PRO A 102 57.020 -51.861 73.309 1.00 52.83 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
857 ATOM 857 O PRO A 102 56.652 -52.629 74.178 1.00 47.86 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
858 ATOM 858 CB PRO A 102 55.558 -51.922 71.201 1.00 65.49 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
859 ATOM 859 CG PRO A 102 54.707 -50.901 70.481 1.00 67.58 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
860 ATOM 860 CD PRO A 102 55.382 -49.559 70.753 1.00 69.71 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
861 ATOM 861 N HIS A 103 58.303 -51.583 73.100 1.00 48.80 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
862 ATOM 862 HN HIS A 103 58.568 -50.993 72.311 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
863 ATOM 863 CA HIS A 103 59.353 -52.119 73.997 1.00 49.16 0.182 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
864 ATOM 864 C HIS A 103 59.353 -51.489 75.429 1.00 43.34 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
865 ATOM 865 O HIS A 103 59.983 -52.018 76.343 1.00 40.37 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
866 ATOM 866 CB HIS A 103 60.761 -52.012 73.342 1.00 56.47 0.093 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
867 ATOM 867 CG HIS A 103 61.308 -50.602 73.260 1.00 62.69 0.028 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
868 ATOM 868 ND1 HIS A 103 61.010 -49.735 72.223 1.00 59.93 -0.354 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
869 ATOM 869 HD1 HIS A 103 60.402 -49.950 71.433 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
870 ATOM 870 CD2 HIS A 103 62.146 -49.921 74.083 1.00 61.50 0.114 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
871 ATOM 871 CE1 HIS A 103 61.635 -48.584 72.414 1.00 63.37 0.180 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
872 ATOM 872 NE2 HIS A 103 62.331 -48.669 73.534 1.00 64.44 -0.360 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
873 ATOM 873 HE2 HIS A 103 62.911 -47.929 73.929 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
874 ATOM 874 N GLN A 104 58.644 -50.372 75.623 1.00 38.71 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
875 ATOM 875 HN GLN A 104 58.150 -49.953 74.835 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
876 ATOM 876 CA GLN A 104 58.561 -49.742 76.925 1.00 36.18 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
877 ATOM 877 C GLN A 104 57.395 -50.236 77.760 1.00 34.51 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
878 ATOM 878 O GLN A 104 57.155 -49.683 78.823 1.00 34.36 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
879 ATOM 879 CB GLN A 104 58.464 -48.236 76.772 1.00 36.94 0.044 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
880 ATOM 880 CG GLN A 104 59.595 -47.620 75.938 1.00 39.97 0.105 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
881 ATOM 881 CD GLN A 104 59.467 -46.114 75.823 1.00 44.07 0.215 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
882 ATOM 882 OE1 GLN A 104 60.278 -45.365 76.390 1.00 47.65 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
883 ATOM 883 NE2 GLN A 104 58.428 -45.654 75.125 1.00 35.37 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
884 ATOM 884 1HE2 GLN A 104 58.342 -44.641 75.048 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
885 ATOM 885 2HE2 GLN A 104 57.761 -46.270 74.659 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
886 ATOM 886 N VAL A 105 56.673 -51.252 77.287 1.00 32.05 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
887 ATOM 887 HN VAL A 105 56.955 -51.685 76.408 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
888 ATOM 888 CA VAL A 105 55.506 -51.765 77.970 1.00 35.27 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
889 ATOM 889 C VAL A 105 55.426 -53.312 77.928 1.00 35.32 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
890 ATOM 890 O VAL A 105 55.592 -53.939 76.892 1.00 35.30 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
891 ATOM 891 CB VAL A 105 54.223 -51.062 77.453 1.00 39.33 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
892 ATOM 892 CG1 VAL A 105 54.134 -51.079 75.942 1.00 39.77 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
893 ATOM 893 CG2 VAL A 105 52.971 -51.693 78.054 1.00 41.53 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
894 ATOM 894 N GLU A 106 55.234 -53.918 79.098 1.00 37.08 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
895 ATOM 895 HN GLU A 106 55.298 -53.362 79.950 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
896 ATOM 896 CA GLU A 106 54.935 -55.347 79.217 1.00 37.24 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
897 ATOM 897 C GLU A 106 53.429 -55.502 79.607 1.00 36.88 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
898 ATOM 898 O GLU A 106 53.005 -55.161 80.728 1.00 34.68 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
899 ATOM 899 CB GLU A 106 55.849 -55.983 80.279 1.00 38.43 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
900 ATOM 900 CG GLU A 106 55.695 -57.497 80.440 1.00 39.94 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
901 ATOM 901 CD GLU A 106 56.467 -58.075 81.640 1.00 44.27 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
902 ATOM 902 OE1 GLU A 106 57.229 -57.347 82.352 1.00 41.42 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
903 ATOM 903 OE2 GLU A 106 56.292 -59.291 81.875 1.00 43.29 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
904 ATOM 904 N VAL A 107 52.632 -56.010 78.681 1.00 35.10 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
905 ATOM 905 HN VAL A 107 53.011 -56.221 77.758 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
906 ATOM 906 CA VAL A 107 51.226 -56.274 78.951 1.00 37.87 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
907 ATOM 907 C VAL A 107 51.141 -57.539 79.795 1.00 38.81 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
908 ATOM 908 O VAL A 107 51.579 -58.586 79.368 1.00 41.40 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
909 ATOM 909 CB VAL A 107 50.394 -56.435 77.654 1.00 37.12 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
910 ATOM 910 CG1 VAL A 107 48.929 -56.833 77.967 1.00 34.84 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
911 ATOM 911 CG2 VAL A 107 50.451 -55.135 76.841 1.00 37.15 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
912 ATOM 912 N VAL A 108 50.546 -57.421 80.973 1.00 40.22 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
913 ATOM 913 HN VAL A 108 50.060 -56.551 81.189 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
914 ATOM 914 CA VAL A 108 50.556 -58.478 81.970 1.00 42.81 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
915 ATOM 915 C VAL A 108 49.256 -59.288 81.955 1.00 41.99 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
916 ATOM 916 O VAL A 108 49.273 -60.500 82.254 1.00 38.32 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
917 ATOM 917 CB VAL A 108 50.730 -57.868 83.378 1.00 44.90 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
918 ATOM 918 CG1 VAL A 108 50.679 -58.947 84.438 1.00 50.76 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
919 ATOM 919 CG2 VAL A 108 52.034 -57.124 83.465 1.00 47.62 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
920 ATOM 920 N CYS A 109 48.142 -58.598 81.685 1.00 37.43 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
921 ATOM 921 HN CYS A 109 48.228 -57.608 81.455 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
922 ATOM 922 CA CYS A 109 46.821 -59.188 81.703 1.00 38.28 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
923 ATOM 923 C CYS A 109 45.692 -58.292 81.161 1.00 35.74 0.242 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
924 ATOM 924 O CYS A 109 45.811 -57.068 81.006 1.00 36.62 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
925 ATOM 925 CB CYS A 109 46.436 -59.602 83.126 1.00 41.13 0.120 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
926 ATOM 926 SG CYS A 109 45.841 -58.261 84.144 1.00 44.16 -0.095 SA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
927 ATOM 927 N CYS A 110 44.577 -58.956 80.974 1.00 32.96 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
928 ATOM 928 HN CYS A 110 44.575 -59.943 81.231 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
929 ATOM 929 CA CYS A 110 43.362 -58.417 80.441 1.00 36.36 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
930 ATOM 930 C CYS A 110 42.308 -58.519 81.568 1.00 35.30 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
931 ATOM 931 O CYS A 110 41.987 -59.625 82.011 1.00 33.51 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
932 ATOM 932 CB CYS A 110 43.010 -59.324 79.248 1.00 39.15 0.120 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
933 ATOM 933 SG CYS A 110 41.462 -58.982 78.466 1.00 45.91 -0.095 SA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
934 ATOM 934 N LEU A 111 41.813 -57.384 82.050 1.00 32.09 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
935 ATOM 935 HN LEU A 111 42.162 -56.499 81.683 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
936 ATOM 936 CA LEU A 111 40.787 -57.362 83.087 1.00 33.96 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
937 ATOM 937 C LEU A 111 39.376 -57.516 82.492 1.00 39.33 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
938 ATOM 938 O LEU A 111 39.223 -57.618 81.267 1.00 37.97 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
939 ATOM 939 CB LEU A 111 40.880 -56.079 83.931 1.00 33.41 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
940 ATOM 940 CG LEU A 111 42.079 -56.016 84.880 1.00 35.96 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
941 ATOM 941 CD1 LEU A 111 42.150 -54.675 85.569 1.00 37.43 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
942 ATOM 942 CD2 LEU A 111 42.036 -57.122 85.910 1.00 38.47 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
943 ATOM 943 N VAL A 112 38.362 -57.582 83.373 1.00 38.80 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
944 ATOM 944 HN VAL A 112 38.575 -57.558 84.370 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
945 ATOM 945 CA VAL A 112 36.973 -57.687 82.956 1.00 41.17 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
946 ATOM 946 C VAL A 112 36.563 -56.575 82.013 1.00 37.12 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
947 ATOM 947 O VAL A 112 36.704 -55.405 82.353 1.00 35.84 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
948 ATOM 948 CB VAL A 112 35.912 -57.695 84.124 1.00 45.86 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
949 ATOM 949 CG1 VAL A 112 35.853 -59.070 84.767 1.00 49.79 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
950 ATOM 950 CG2 VAL A 112 36.124 -56.594 85.159 1.00 45.73 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
951 ATOM 951 N PRO A 113 35.988 -56.941 80.861 1.00 35.69 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
952 ATOM 952 CA PRO A 113 35.512 -55.900 79.965 1.00 38.34 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
953 ATOM 953 C PRO A 113 34.248 -55.285 80.464 1.00 36.47 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
954 ATOM 954 O PRO A 113 33.573 -55.858 81.300 1.00 38.09 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
955 ATOM 955 CB PRO A 113 35.272 -56.618 78.652 1.00 39.67 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
956 ATOM 956 CG PRO A 113 35.098 -58.037 79.008 1.00 40.57 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
957 ATOM 957 CD PRO A 113 35.941 -58.267 80.239 1.00 37.94 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
958 ATOM 958 N CYS A 114 33.916 -54.102 79.983 0.62 36.75 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
959 ATOM 959 HN CYS A 114 34.556 -53.592 79.374 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
960 ATOM 960 CA CYS A 114 32.642 -53.546 80.330 0.62 36.31 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
961 ATOM 961 C CYS A 114 31.810 -53.308 79.055 0.62 35.41 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
962 ATOM 962 O CYS A 114 32.342 -53.140 77.957 0.62 31.55 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
963 ATOM 963 CB CYS A 114 32.799 -52.324 81.219 0.62 39.27 0.120 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
964 ATOM 964 SG CYS A 114 33.592 -50.894 80.493 0.62 44.60 -0.095 SA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
965 ATOM 965 N LEU A 115 30.497 -53.388 79.238 0.62 34.25 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
966 ATOM 966 HN LEU A 115 30.156 -53.516 80.191 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
967 ATOM 967 CA LEU A 115 29.516 -53.305 78.173 0.62 34.77 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
968 ATOM 968 C LEU A 115 28.878 -51.956 78.273 0.62 33.65 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
969 ATOM 969 O LEU A 115 28.522 -51.538 79.350 0.62 31.93 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
970 ATOM 970 CB LEU A 115 28.422 -54.359 78.367 0.62 34.77 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
971 ATOM 971 CG LEU A 115 28.779 -55.812 78.087 0.62 37.48 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
972 ATOM 972 CD1 LEU A 115 27.644 -56.725 78.536 0.62 37.36 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
973 ATOM 973 CD2 LEU A 115 29.117 -56.026 76.607 0.62 38.72 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
974 ATOM 974 N ILE A 116 28.705 -51.279 77.154 0.62 35.75 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
975 ATOM 975 HN ILE A 116 29.089 -51.632 76.277 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
976 ATOM 976 CA ILE A 116 27.965 -50.028 77.175 0.62 38.69 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
977 ATOM 977 C ILE A 116 27.109 -49.909 75.911 0.62 38.38 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
978 ATOM 978 O ILE A 116 27.475 -50.440 74.854 0.62 37.65 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
979 ATOM 979 CB ILE A 116 28.918 -48.827 77.511 0.62 43.46 0.013 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
980 ATOM 980 CG1 ILE A 116 28.493 -47.497 76.847 0.62 45.09 0.002 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
981 ATOM 981 CG2 ILE A 116 30.393 -49.161 77.231 0.62 41.40 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
982 ATOM 982 CD1 ILE A 116 28.957 -47.324 75.414 0.62 46.93 0.005 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
983 ATOM 983 N ASP A 117 25.940 -49.276 76.051 0.62 38.85 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
984 ATOM 984 HN ASP A 117 25.614 -49.056 76.992 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
985 ATOM 985 CA ASP A 117 25.101 -48.882 74.905 0.62 42.60 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
986 ATOM 986 C ASP A 117 24.512 -50.050 74.080 0.62 41.04 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
987 ATOM 987 O ASP A 117 24.185 -49.885 72.903 0.62 42.15 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
988 ATOM 988 CB ASP A 117 25.923 -47.934 74.008 0.62 46.21 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
989 ATOM 989 CG ASP A 117 25.078 -47.114 73.051 0.62 50.41 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
990 ATOM 990 OD1 ASP A 117 24.030 -46.597 73.480 0.62 46.23 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
991 ATOM 991 OD2 ASP A 117 25.489 -46.987 71.863 0.62 57.63 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
992 ATOM 992 N THR A 118 24.375 -51.221 74.703 0.62 38.25 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
993 ATOM 993 HN THR A 118 24.623 -51.262 75.692 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
994 ATOM 994 CA THR A 118 23.888 -52.469 74.063 0.62 39.96 0.205 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
995 ATOM 995 C THR A 118 24.888 -53.116 73.092 0.62 39.45 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
996 ATOM 996 O THR A 118 25.020 -54.351 73.095 0.62 38.57 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
997 ATOM 997 CB THR A 118 22.446 -52.391 73.404 0.62 39.22 0.146 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
998 ATOM 998 OG1 THR A 118 22.511 -52.124 71.994 0.62 35.19 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
999 ATOM 999 HG1 THR A 118 23.079 -52.759 71.573 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1000 ATOM 1000 CG2 THR A 118 21.527 -51.364 74.086 0.62 38.80 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1001 ATOM 1001 N ASP A 119 25.633 -52.298 72.339 1.00 37.68 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1002 ATOM 1002 HN ASP A 119 25.675 -51.310 72.588 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1003 ATOM 1003 CA ASP A 119 26.403 -52.767 71.153 1.00 39.48 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1004 ATOM 1004 C ASP A 119 27.941 -52.600 71.237 1.00 38.17 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1005 ATOM 1005 O ASP A 119 28.642 -52.847 70.259 1.00 40.01 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1006 ATOM 1006 CB ASP A 119 25.891 -52.021 69.901 1.00 40.81 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1007 ATOM 1007 CG ASP A 119 26.050 -50.471 69.980 1.00 47.37 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1008 ATOM 1008 OD1 ASP A 119 26.634 -49.883 70.942 1.00 47.19 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1009 ATOM 1009 OD2 ASP A 119 25.529 -49.813 69.055 1.00 57.19 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1010 ATOM 1010 N THR A 120 28.460 -52.205 72.395 1.00 34.82 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1011 ATOM 1011 HN THR A 120 27.865 -52.197 73.223 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1012 ATOM 1012 CA THR A 120 29.853 -51.782 72.524 1.00 35.28 0.205 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1013 ATOM 1013 C THR A 120 30.551 -52.424 73.720 1.00 31.90 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1014 ATOM 1014 O THR A 120 29.994 -52.454 74.829 1.00 31.92 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1015 ATOM 1015 CB THR A 120 29.938 -50.233 72.644 1.00 35.52 0.146 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1016 ATOM 1016 OG1 THR A 120 29.340 -49.645 71.487 1.00 36.26 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1017 ATOM 1017 HG1 THR A 120 29.392 -48.699 71.560 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1018 ATOM 1018 CG2 THR A 120 31.362 -49.765 72.785 1.00 33.89 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1019 ATOM 1019 N LEU A 121 31.781 -52.881 73.488 1.00 29.55 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1020 ATOM 1020 HN LEU A 121 32.186 -52.728 72.565 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1021 ATOM 1021 CA LEU A 121 32.585 -53.593 74.489 1.00 31.19 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1022 ATOM 1022 C LEU A 121 34.003 -52.970 74.597 1.00 31.50 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1023 ATOM 1023 O LEU A 121 34.737 -52.913 73.612 1.00 30.46 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1024 ATOM 1024 CB LEU A 121 32.683 -55.100 74.143 1.00 32.35 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1025 ATOM 1025 CG LEU A 121 33.456 -56.002 75.132 1.00 34.98 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1026 ATOM 1026 CD1 LEU A 121 32.577 -56.521 76.228 1.00 38.04 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1027 ATOM 1027 CD2 LEU A 121 34.083 -57.205 74.472 1.00 40.55 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1028 ATOM 1028 N ILE A 122 34.371 -52.543 75.809 1.00 30.84 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1029 ATOM 1029 HN ILE A 122 33.696 -52.636 76.568 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1030 ATOM 1030 CA ILE A 122 35.667 -51.954 76.124 1.00 31.03 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1031 ATOM 1031 C ILE A 122 36.539 -52.905 76.947 1.00 31.21 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1032 ATOM 1032 O ILE A 122 36.148 -53.278 78.044 1.00 33.15 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1033 ATOM 1033 CB ILE A 122 35.452 -50.649 76.863 1.00 33.39 0.013 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1034 ATOM 1034 CG1 ILE A 122 34.487 -49.787 76.010 1.00 35.07 0.002 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1035 ATOM 1035 CG2 ILE A 122 36.791 -49.935 77.090 1.00 35.99 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1036 ATOM 1036 CD1 ILE A 122 34.317 -48.368 76.454 1.00 36.35 0.005 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1037 ATOM 1037 N THR A 123 37.701 -53.298 76.405 1.00 28.27 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1038 ATOM 1038 HN THR A 123 37.975 -52.916 75.500 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1039 ATOM 1039 CA THR A 123 38.576 -54.240 77.055 1.00 30.68 0.205 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1040 ATOM 1040 C THR A 123 39.821 -53.551 77.680 1.00 31.58 0.245 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1041 ATOM 1041 O THR A 123 40.621 -52.977 76.956 1.00 29.26 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1042 ATOM 1042 CB THR A 123 39.038 -55.317 76.062 1.00 34.39 0.146 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1043 ATOM 1043 OG1 THR A 123 37.898 -55.921 75.447 1.00 36.79 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1044 ATOM 1044 HG1 THR A 123 38.184 -56.587 74.833 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1045 ATOM 1045 CG2 THR A 123 39.848 -56.421 76.781 1.00 37.28 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1046 ATOM 1046 N PRO A 124 39.979 -53.611 79.025 1.00 33.11 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1047 ATOM 1047 CA PRO A 124 41.137 -53.017 79.695 1.00 32.76 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1048 ATOM 1048 C PRO A 124 42.309 -53.968 79.885 1.00 31.67 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1049 ATOM 1049 O PRO A 124 42.114 -55.069 80.350 1.00 34.29 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1050 ATOM 1050 CB PRO A 124 40.575 -52.589 81.039 1.00 32.68 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1051 ATOM 1051 CG PRO A 124 39.435 -53.495 81.312 1.00 32.13 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1052 ATOM 1052 CD PRO A 124 38.951 -54.029 80.000 1.00 33.86 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1053 ATOM 1053 N PHE A 125 43.507 -53.532 79.489 1.00 30.91 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1054 ATOM 1054 HN PHE A 125 43.555 -52.636 79.004 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1055 ATOM 1055 CA PHE A 125 44.752 -54.261 79.709 1.00 30.40 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1056 ATOM 1056 C PHE A 125 45.627 -53.506 80.692 1.00 32.91 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1057 ATOM 1057 O PHE A 125 45.730 -52.273 80.625 1.00 33.90 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1058 ATOM 1058 CB PHE A 125 45.510 -54.426 78.388 1.00 31.68 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1059 ATOM 1059 CG PHE A 125 44.773 -55.260 77.375 1.00 28.44 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1060 ATOM 1060 CD1 PHE A 125 43.843 -54.671 76.517 1.00 29.71 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1061 ATOM 1061 CD2 PHE A 125 44.994 -56.618 77.291 1.00 26.37 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1062 ATOM 1062 CE1 PHE A 125 43.122 -55.442 75.617 1.00 27.00 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1063 ATOM 1063 CE2 PHE A 125 44.292 -57.401 76.388 1.00 26.31 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1064 ATOM 1064 CZ PHE A 125 43.353 -56.816 75.561 1.00 26.70 0.000 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1065 ATOM 1065 N VAL A 126 46.251 -54.236 81.617 1.00 33.99 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1066 ATOM 1066 HN VAL A 126 46.037 -55.230 81.693 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1067 ATOM 1067 CA VAL A 126 47.230 -53.651 82.521 1.00 31.85 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1068 ATOM 1068 C VAL A 126 48.646 -53.845 81.942 1.00 30.56 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1069 ATOM 1069 O VAL A 126 49.009 -54.945 81.487 1.00 31.33 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1070 ATOM 1070 CB VAL A 126 47.127 -54.252 83.933 1.00 32.36 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1071 ATOM 1071 CG1 VAL A 126 48.132 -53.569 84.879 1.00 31.62 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1072 ATOM 1072 CG2 VAL A 126 45.707 -54.102 84.477 1.00 30.36 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1073 ATOM 1073 N GLY A 127 49.430 -52.773 81.962 1.00 29.15 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1074 ATOM 1074 HN GLY A 127 49.074 -51.917 82.388 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1075 ATOM 1075 CA GLY A 127 50.781 -52.764 81.401 1.00 32.33 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1076 ATOM 1076 C GLY A 127 51.803 -52.185 82.365 1.00 32.39 0.236 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1077 ATOM 1077 O GLY A 127 51.545 -51.150 82.963 1.00 33.56 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1078 ATOM 1078 N LEU A 128 52.933 -52.873 82.536 1.00 33.76 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1079 ATOM 1079 HN LEU A 128 53.006 -53.802 82.122 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1080 ATOM 1080 CA LEU A 128 54.077 -52.351 83.295 1.00 39.76 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1081 ATOM 1081 C LEU A 128 54.947 -51.498 82.396 1.00 36.18 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1082 ATOM 1082 O LEU A 128 55.404 -51.972 81.343 1.00 31.92 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1083 ATOM 1083 CB LEU A 128 54.977 -53.472 83.810 1.00 45.46 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1084 ATOM 1084 CG LEU A 128 54.498 -54.489 84.826 1.00 54.84 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1085 ATOM 1085 CD1 LEU A 128 55.748 -55.150 85.416 1.00 63.50 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1086 ATOM 1086 CD2 LEU A 128 53.650 -53.853 85.927 1.00 60.33 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1087 ATOM 1087 N ILE A 129 55.183 -50.268 82.826 1.00 36.95 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1088 ATOM 1088 HN ILE A 129 54.857 -50.009 83.757 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1089 ATOM 1089 CA ILE A 129 55.892 -49.257 82.027 1.00 39.29 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1090 ATOM 1090 C ILE A 129 57.350 -49.180 82.462 1.00 41.40 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1091 ATOM 1091 O ILE A 129 57.643 -49.184 83.662 1.00 37.13 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1092 ATOM 1092 CB ILE A 129 55.258 -47.853 82.201 1.00 41.48 0.013 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1093 ATOM 1093 CG1 ILE A 129 53.760 -47.865 81.808 1.00 45.58 0.002 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1094 ATOM 1094 CG2 ILE A 129 56.007 -46.802 81.401 1.00 41.82 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1095 ATOM 1095 CD1 ILE A 129 53.448 -48.534 80.478 1.00 44.87 0.005 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1096 ATOM 1096 N ASP A 130 58.240 -49.097 81.467 1.00 45.21 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1097 ATOM 1097 HN ASP A 130 57.895 -49.180 80.511 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1098 ATOM 1098 CA ASP A 130 59.677 -48.895 81.661 1.00 45.92 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1099 ATOM 1099 C ASP A 130 59.959 -47.682 82.524 1.00 42.79 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1100 ATOM 1100 O ASP A 130 59.352 -46.624 82.350 1.00 41.85 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1101 ATOM 1101 CB ASP A 130 60.397 -48.750 80.310 1.00 51.91 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1102 ATOM 1102 CG ASP A 130 61.919 -48.745 80.452 1.00 60.62 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1103 ATOM 1103 OD1 ASP A 130 62.527 -49.815 80.736 1.00 63.35 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1104 ATOM 1104 OD2 ASP A 130 62.502 -47.650 80.289 1.00 59.38 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1105 ATOM 1105 N HIS A 131 60.893 -47.841 83.459 1.00 45.40 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1106 ATOM 1106 HN HIS A 131 61.347 -48.749 83.558 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1107 ATOM 1107 CA HIS A 131 61.290 -46.733 84.359 1.00 48.16 0.182 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1108 ATOM 1108 C HIS A 131 61.873 -45.501 83.638 1.00 42.84 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1109 ATOM 1109 O HIS A 131 61.808 -44.422 84.188 1.00 45.62 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1110 ATOM 1110 CB HIS A 131 62.222 -47.211 85.511 1.00 49.88 0.093 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1111 ATOM 1111 CG HIS A 131 63.662 -47.381 85.123 1.00 57.22 0.028 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1112 ATOM 1112 ND1 HIS A 131 64.123 -48.448 84.374 1.00 59.34 -0.354 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1113 ATOM 1113 HD1 HIS A 131 63.545 -49.205 84.010 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1114 ATOM 1114 CD2 HIS A 131 64.749 -46.624 85.403 1.00 65.67 0.114 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1115 ATOM 1115 CE1 HIS A 131 65.427 -48.335 84.203 1.00 61.39 0.180 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1116 ATOM 1116 NE2 HIS A 131 65.832 -47.234 84.810 1.00 66.33 -0.360 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1117 ATOM 1117 HE2 HIS A 131 66.792 -46.891 84.835 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1118 ATOM 1118 N ASN A 132 62.419 -45.659 82.430 1.00 45.12 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1119 ATOM 1119 HN ASN A 132 62.466 -46.601 82.041 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1120 ATOM 1120 CA ASN A 132 62.964 -44.531 81.619 1.00 49.18 0.185 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1121 ATOM 1121 C ASN A 132 61.980 -43.869 80.625 1.00 51.05 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1122 ATOM 1122 O ASN A 132 62.396 -43.030 79.842 1.00 48.52 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1123 ATOM 1123 CB ASN A 132 64.247 -44.987 80.844 1.00 49.54 0.137 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1124 ATOM 1124 CG ASN A 132 65.426 -45.339 81.779 1.00 55.45 0.217 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1125 ATOM 1125 OD1 ASN A 132 66.286 -46.169 81.434 1.00 51.19 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1126 ATOM 1126 ND2 ASN A 132 65.462 -44.715 82.971 1.00 49.45 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1127 ATOM 1127 1HD2 ASN A 132 66.240 -44.947 83.588 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1128 ATOM 1128 2HD2 ASN A 132 64.757 -44.034 83.254 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1129 ATOM 1129 N PHE A 133 60.699 -44.247 80.637 1.00 50.03 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1130 ATOM 1130 HN PHE A 133 60.402 -44.971 81.292 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1131 ATOM 1131 CA PHE A 133 59.704 -43.650 79.734 1.00 46.29 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1132 ATOM 1132 C PHE A 133 59.411 -42.202 80.099 1.00 43.18 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1133 ATOM 1133 O PHE A 133 59.225 -41.890 81.259 1.00 41.95 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1134 ATOM 1134 CB PHE A 133 58.365 -44.453 79.748 1.00 46.44 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1135 ATOM 1135 CG PHE A 133 57.221 -43.725 79.096 1.00 42.13 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1136 ATOM 1136 CD1 PHE A 133 57.180 -43.562 77.710 1.00 40.44 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1137 ATOM 1137 CD2 PHE A 133 56.208 -43.164 79.860 1.00 42.94 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1138 ATOM 1138 CE1 PHE A 133 56.143 -42.877 77.116 1.00 41.07 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1139 ATOM 1139 CE2 PHE A 133 55.156 -42.481 79.256 1.00 41.65 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1140 ATOM 1140 CZ PHE A 133 55.122 -42.346 77.888 1.00 40.70 0.000 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1141 ATOM 1141 N GLN A 134 59.326 -41.334 79.095 1.00 46.95 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1142 ATOM 1142 HN GLN A 134 59.557 -41.643 78.151 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1143 ATOM 1143 CA GLN A 134 58.912 -39.953 79.307 1.00 51.92 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1144 ATOM 1144 C GLN A 134 57.797 -39.576 78.333 1.00 47.64 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1145 ATOM 1145 O GLN A 134 57.976 -39.630 77.124 1.00 43.15 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1146 ATOM 1146 CB GLN A 134 60.104 -39.011 79.122 1.00 61.18 0.044 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1147 ATOM 1147 CG GLN A 134 60.123 -37.879 80.136 1.00 71.29 0.105 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1148 ATOM 1148 CD GLN A 134 60.962 -38.221 81.351 1.00 81.99 0.215 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1149 ATOM 1149 OE1 GLN A 134 60.432 -38.499 82.427 1.00 86.33 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1150 ATOM 1150 NE2 GLN A 134 62.291 -38.227 81.174 1.00 91.78 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1151 ATOM 1151 1HE2 GLN A 134 62.730 -37.997 80.283 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1152 ATOM 1152 2HE2 GLN A 134 62.856 -38.457 81.992 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1153 ATOM 1153 N ALA A 135 56.648 -39.195 78.878 1.00 50.07 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1154 ATOM 1154 HN ALA A 135 56.594 -39.092 79.891 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1155 ATOM 1155 CA ALA A 135 55.459 -38.918 78.077 1.00 50.98 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1156 ATOM 1156 C ALA A 135 55.669 -37.741 77.137 1.00 51.75 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1157 ATOM 1157 O ALA A 135 56.071 -36.654 77.584 1.00 47.91 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1158 ATOM 1158 CB ALA A 135 54.291 -38.614 79.002 1.00 55.18 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1159 ATOM 1159 N GLN A 136 55.372 -37.958 75.857 1.00 50.42 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1160 ATOM 1160 HN GLN A 136 55.122 -38.905 75.572 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1161 ATOM 1161 CA GLN A 136 55.386 -36.906 74.838 1.00 51.64 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1162 ATOM 1162 C GLN A 136 53.940 -36.738 74.334 1.00 45.39 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1163 ATOM 1163 O GLN A 136 53.552 -37.317 73.302 1.00 41.77 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1164 ATOM 1164 CB GLN A 136 56.351 -37.272 73.682 1.00 57.66 0.044 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1165 ATOM 1165 CG GLN A 136 57.473 -38.219 74.065 1.00 66.44 0.105 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1166 ATOM 1166 CD GLN A 136 58.585 -38.268 73.032 1.00 73.73 0.215 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1167 ATOM 1167 OE1 GLN A 136 58.813 -39.294 72.368 1.00 79.89 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1168 ATOM 1168 NE2 GLN A 136 59.288 -37.153 72.888 1.00 77.90 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1169 ATOM 1169 1HE2 GLN A 136 59.101 -36.311 73.433 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1170 ATOM 1170 2HE2 GLN A 136 60.035 -37.186 72.194 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1171 ATOM 1171 N PRO A 137 53.105 -35.984 75.073 1.00 45.29 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1172 ATOM 1172 CA PRO A 137 51.692 -35.879 74.638 1.00 48.48 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1173 ATOM 1173 C PRO A 137 51.498 -35.430 73.162 1.00 48.36 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1174 ATOM 1174 O PRO A 137 52.209 -34.535 72.693 1.00 56.45 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1175 ATOM 1175 CB PRO A 137 51.092 -34.830 75.602 1.00 48.60 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1176 ATOM 1176 CG PRO A 137 52.064 -34.632 76.714 1.00 46.59 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1177 ATOM 1177 CD PRO A 137 53.334 -35.370 76.394 1.00 46.92 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1178 ATOM 1178 N ASN A 138 50.573 -36.059 72.440 1.00 46.53 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1179 ATOM 1179 HN ASN A 138 50.180 -36.933 72.790 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1180 ATOM 1180 CA ASN A 138 50.101 -35.526 71.148 1.00 45.82 0.185 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1181 ATOM 1181 C ASN A 138 49.074 -34.430 71.474 1.00 43.72 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1182 ATOM 1182 O ASN A 138 48.030 -34.740 71.998 1.00 45.51 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1183 ATOM 1183 CB ASN A 138 49.511 -36.647 70.295 1.00 46.95 0.137 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1184 ATOM 1184 CG ASN A 138 48.870 -36.161 69.014 1.00 49.36 0.217 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1185 ATOM 1185 OD1 ASN A 138 48.661 -34.956 68.795 1.00 52.06 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1186 ATOM 1186 ND2 ASN A 138 48.516 -37.121 68.157 1.00 46.11 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1187 ATOM 1187 1HD2 ASN A 138 48.688 -38.110 68.337 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1188 ATOM 1188 2HD2 ASN A 138 48.084 -36.793 67.293 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1189 ATOM 1189 N PRO A 139 49.381 -33.142 71.183 1.00 45.94 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1190 ATOM 1190 CA PRO A 139 48.493 -32.037 71.585 1.00 46.66 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1191 ATOM 1191 C PRO A 139 47.123 -31.952 70.886 1.00 44.35 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1192 ATOM 1192 O PRO A 139 46.207 -31.285 71.397 1.00 42.54 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1193 ATOM 1193 CB PRO A 139 49.337 -30.789 71.297 1.00 45.91 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1194 ATOM 1194 CG PRO A 139 50.243 -31.208 70.205 1.00 45.33 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1195 ATOM 1195 CD PRO A 139 50.597 -32.623 70.524 1.00 46.02 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1196 ATOM 1196 N ALA A 140 46.963 -32.639 69.765 1.00 43.97 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1197 ATOM 1197 HN ALA A 140 47.766 -33.094 69.331 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1198 ATOM 1198 CA ALA A 140 45.638 -32.751 69.143 1.00 49.38 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1199 ATOM 1199 C ALA A 140 44.666 -33.606 69.978 1.00 50.37 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1200 ATOM 1200 O ALA A 140 43.456 -33.434 69.877 1.00 57.40 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1201 ATOM 1201 CB ALA A 140 45.763 -33.333 67.742 1.00 49.15 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1202 ATOM 1202 N GLU A 141 45.191 -34.534 70.776 1.00 49.04 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1203 ATOM 1203 HN GLU A 141 46.203 -34.568 70.899 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1204 ATOM 1204 CA GLU A 141 44.347 -35.515 71.488 1.00 47.69 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1205 ATOM 1205 C GLU A 141 44.412 -35.415 72.971 1.00 43.63 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1206 ATOM 1206 O GLU A 141 43.394 -35.588 73.638 1.00 40.98 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1207 ATOM 1207 CB GLU A 141 44.723 -36.917 71.070 1.00 48.31 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1208 ATOM 1208 CG GLU A 141 45.035 -36.956 69.602 1.00 46.53 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1209 ATOM 1209 CD GLU A 141 45.205 -38.329 69.096 1.00 45.45 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1210 ATOM 1210 OE1 GLU A 141 44.534 -38.641 68.117 1.00 49.22 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1211 ATOM 1211 OE2 GLU A 141 46.043 -39.067 69.635 1.00 51.44 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1212 ATOM 1212 N VAL A 142 45.597 -35.088 73.481 1.00 43.56 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1213 ATOM 1213 HN VAL A 142 46.336 -34.801 72.839 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1214 ATOM 1214 CA VAL A 142 45.894 -35.118 74.897 1.00 42.41 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1215 ATOM 1215 C VAL A 142 46.408 -33.740 75.324 1.00 42.62 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1216 ATOM 1216 O VAL A 142 47.402 -33.224 74.815 1.00 41.71 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1217 ATOM 1217 CB VAL A 142 46.923 -36.241 75.168 1.00 40.67 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1218 ATOM 1218 CG1 VAL A 142 47.579 -36.113 76.526 1.00 42.68 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1219 ATOM 1219 CG2 VAL A 142 46.240 -37.581 75.060 1.00 39.35 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1220 ATOM 1220 N LYS A 143 45.720 -33.169 76.286 1.00 46.74 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1221 ATOM 1221 HN LYS A 143 44.916 -33.663 76.675 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1222 ATOM 1222 CA LYS A 143 46.064 -31.849 76.822 1.00 48.60 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1223 ATOM 1223 C LYS A 143 47.081 -31.942 77.967 1.00 46.18 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1224 ATOM 1224 O LYS A 143 47.749 -30.975 78.254 1.00 43.02 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1225 ATOM 1225 CB LYS A 143 44.760 -31.148 77.244 1.00 50.41 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1226 ATOM 1226 CG LYS A 143 44.867 -30.086 78.293 1.00 59.11 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1227 ATOM 1227 CD LYS A 143 43.517 -29.421 78.476 1.00 67.27 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1228 ATOM 1228 CE LYS A 143 43.564 -28.445 79.636 1.00 72.89 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1229 ATOM 1229 NZ LYS A 143 42.255 -27.750 79.740 1.00 82.81 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1230 ATOM 1230 HZ1 LYS A 143 42.287 -27.094 80.520 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1231 ATOM 1231 HZ2 LYS A 143 41.474 -28.402 79.813 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1232 ATOM 1232 HZ3 LYS A 143 41.984 -27.300 78.865 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1233 ATOM 1233 N ASP A 144 47.191 -33.107 78.613 1.00 46.02 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1234 ATOM 1234 HN ASP A 144 46.687 -33.915 78.248 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1235 ATOM 1235 CA ASP A 144 48.001 -33.278 79.820 1.00 43.28 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1236 ATOM 1236 C ASP A 144 48.119 -34.773 80.196 1.00 44.02 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1237 ATOM 1237 O ASP A 144 47.266 -35.583 79.832 1.00 43.72 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1238 ATOM 1238 CB ASP A 144 47.349 -32.507 80.981 1.00 45.29 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1239 ATOM 1239 CG ASP A 144 48.281 -32.299 82.161 1.00 45.89 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1240 ATOM 1240 OD1 ASP A 144 49.495 -32.607 82.023 1.00 42.02 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1241 ATOM 1241 OD2 ASP A 144 47.779 -31.808 83.218 1.00 43.84 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1242 ATOM 1242 N VAL A 145 49.181 -35.109 80.923 1.00 43.16 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1243 ATOM 1243 HN VAL A 145 49.852 -34.373 81.146 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1244 ATOM 1244 CA VAL A 145 49.461 -36.457 81.429 1.00 42.31 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1245 ATOM 1245 C VAL A 145 49.917 -36.330 82.887 1.00 42.41 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1246 ATOM 1246 O VAL A 145 50.764 -35.507 83.178 1.00 49.58 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1247 ATOM 1247 CB VAL A 145 50.556 -37.117 80.580 1.00 43.78 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1248 ATOM 1248 CG1 VAL A 145 51.028 -38.416 81.181 1.00 47.06 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1249 ATOM 1249 CG2 VAL A 145 50.053 -37.367 79.160 1.00 45.79 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1250 ATOM 1250 N PHE A 146 49.344 -37.118 83.798 1.00 40.95 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1251 ATOM 1251 HN PHE A 146 48.591 -37.739 83.503 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1252 ATOM 1252 CA PHE A 146 49.753 -37.129 85.211 1.00 38.97 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1253 ATOM 1253 C PHE A 146 49.759 -38.533 85.862 1.00 37.90 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1254 ATOM 1254 O PHE A 146 49.128 -39.471 85.362 1.00 35.49 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1255 ATOM 1255 CB PHE A 146 48.889 -36.143 86.018 1.00 40.82 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1256 ATOM 1256 CG PHE A 146 47.418 -36.519 86.122 1.00 43.77 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1257 ATOM 1257 CD1 PHE A 146 46.566 -36.398 85.032 1.00 47.03 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1258 ATOM 1258 CD2 PHE A 146 46.886 -36.961 87.318 1.00 43.78 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1259 ATOM 1259 CE1 PHE A 146 45.222 -36.730 85.132 1.00 46.66 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1260 ATOM 1260 CE2 PHE A 146 45.543 -37.281 87.426 1.00 46.63 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1261 ATOM 1261 CZ PHE A 146 44.713 -37.179 86.326 1.00 45.96 0.000 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1262 ATOM 1262 N LEU A 147 50.463 -38.654 86.992 1.00 37.08 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1263 ATOM 1263 HN LEU A 147 50.996 -37.849 87.320 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1264 ATOM 1264 CA LEU A 147 50.505 -39.890 87.783 1.00 34.47 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1265 ATOM 1265 C LEU A 147 49.710 -39.728 89.073 1.00 35.11 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1266 ATOM 1266 O LEU A 147 49.635 -38.642 89.614 1.00 36.17 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1267 ATOM 1267 CB LEU A 147 51.941 -40.284 88.137 1.00 34.58 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1268 ATOM 1268 CG LEU A 147 52.931 -40.486 86.986 1.00 37.15 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1269 ATOM 1269 CD1 LEU A 147 54.301 -40.903 87.497 1.00 36.36 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1270 ATOM 1270 CD2 LEU A 147 52.426 -41.527 86.013 1.00 37.83 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1271 ATOM 1271 N VAL A 148 49.106 -40.821 89.549 1.00 32.18 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1272 ATOM 1272 HN VAL A 148 49.077 -41.659 88.968 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1273 ATOM 1273 CA VAL A 148 48.491 -40.859 90.859 1.00 31.27 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1274 ATOM 1274 C VAL A 148 49.021 -42.096 91.554 1.00 33.03 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1275 ATOM 1275 O VAL A 148 49.004 -43.182 90.967 1.00 39.17 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1276 ATOM 1276 CB VAL A 148 46.956 -40.979 90.772 1.00 29.77 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1277 ATOM 1277 CG1 VAL A 148 46.351 -40.968 92.167 1.00 30.91 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1278 ATOM 1278 CG2 VAL A 148 46.371 -39.865 89.906 1.00 29.74 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1279 ATOM 1279 N PRO A 149 49.491 -41.963 92.795 1.00 33.01 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1280 ATOM 1280 CA PRO A 149 49.832 -43.197 93.505 1.00 35.93 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1281 ATOM 1281 C PRO A 149 48.623 -44.162 93.647 1.00 36.93 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1282 ATOM 1282 O PRO A 149 47.497 -43.731 93.943 1.00 33.85 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1283 ATOM 1283 CB PRO A 149 50.268 -42.707 94.893 1.00 35.48 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1284 ATOM 1284 CG PRO A 149 50.506 -41.247 94.733 1.00 36.55 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1285 ATOM 1285 CD PRO A 149 49.549 -40.795 93.683 1.00 34.88 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1286 ATOM 1286 N LEU A 150 48.899 -45.448 93.477 1.00 35.23 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1287 ATOM 1287 HN LEU A 150 49.874 -45.726 93.365 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1288 ATOM 1288 CA LEU A 150 47.878 -46.476 93.443 1.00 35.34 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1289 ATOM 1289 C LEU A 150 47.116 -46.540 94.767 1.00 35.90 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1290 ATOM 1290 O LEU A 150 45.881 -46.687 94.781 1.00 36.11 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1291 ATOM 1291 CB LEU A 150 48.529 -47.819 93.082 1.00 33.81 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1292 ATOM 1292 CG LEU A 150 47.628 -48.967 92.697 1.00 33.39 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1293 ATOM 1293 CD1 LEU A 150 46.808 -48.683 91.439 1.00 34.51 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1294 ATOM 1294 CD2 LEU A 150 48.503 -50.183 92.491 1.00 34.34 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1295 ATOM 1295 N ALA A 151 47.848 -46.342 95.855 1.00 33.43 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1296 ATOM 1296 HN ALA A 151 48.853 -46.210 95.745 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1297 ATOM 1297 CA ALA A 151 47.286 -46.304 97.203 1.00 34.25 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1298 ATOM 1298 C ALA A 151 46.248 -45.206 97.446 1.00 34.72 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1299 ATOM 1299 O ALA A 151 45.422 -45.332 98.338 1.00 40.40 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1300 ATOM 1300 CB ALA A 151 48.407 -46.177 98.230 1.00 32.93 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1301 ATOM 1301 N TYR A 152 46.283 -44.121 96.688 1.00 34.70 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1302 ATOM 1302 HN TYR A 152 47.038 -44.004 96.012 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1303 ATOM 1303 CA TYR A 152 45.251 -43.083 96.806 1.00 34.07 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1304 ATOM 1304 C TYR A 152 43.803 -43.650 96.633 1.00 36.70 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1305 ATOM 1305 O TYR A 152 42.830 -43.185 97.272 1.00 33.31 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1306 ATOM 1306 CB TYR A 152 45.519 -41.974 95.779 1.00 34.02 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1307 ATOM 1307 CG TYR A 152 44.378 -41.015 95.659 1.00 36.97 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1308 ATOM 1308 CD1 TYR A 152 44.298 -39.875 96.465 1.00 34.72 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1309 ATOM 1309 CD2 TYR A 152 43.347 -41.264 94.744 1.00 36.72 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1310 ATOM 1310 CE1 TYR A 152 43.228 -38.997 96.338 1.00 37.55 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1311 ATOM 1311 CE2 TYR A 152 42.269 -40.417 94.623 1.00 37.37 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1312 ATOM 1312 CZ TYR A 152 42.196 -39.286 95.422 1.00 39.79 0.065 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1313 ATOM 1313 OH TYR A 152 41.081 -38.468 95.290 1.00 40.92 -0.361 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1314 ATOM 1314 HH TYR A 152 41.031 -37.693 95.837 1.00 0.00 0.217 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1315 ATOM 1315 N PHE A 153 43.666 -44.655 95.774 1.00 33.73 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1316 ATOM 1316 HN PHE A 153 44.492 -45.078 95.351 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1317 ATOM 1317 CA PHE A 153 42.345 -45.154 95.435 1.00 36.78 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1318 ATOM 1318 C PHE A 153 41.734 -46.006 96.547 1.00 37.10 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1319 ATOM 1319 O PHE A 153 40.530 -46.259 96.519 1.00 36.18 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1320 ATOM 1320 CB PHE A 153 42.348 -45.844 94.066 1.00 33.77 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1321 ATOM 1321 CG PHE A 153 42.716 -44.917 92.976 1.00 33.93 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1322 ATOM 1322 CD1 PHE A 153 41.780 -43.992 92.498 1.00 34.82 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1323 ATOM 1323 CD2 PHE A 153 44.016 -44.866 92.489 1.00 32.25 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1324 ATOM 1324 CE1 PHE A 153 42.119 -43.089 91.492 1.00 31.67 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1325 ATOM 1325 CE2 PHE A 153 44.365 -43.954 91.504 1.00 31.84 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1326 ATOM 1326 CZ PHE A 153 43.413 -43.067 91.006 1.00 33.28 0.000 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1327 ATOM 1327 N LEU A 154 42.545 -46.380 97.533 1.00 36.01 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1328 ATOM 1328 HN LEU A 154 43.552 -46.263 97.417 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1329 ATOM 1329 CA LEU A 154 42.036 -46.953 98.777 1.00 38.29 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1330 ATOM 1330 C LEU A 154 41.511 -45.940 99.767 1.00 39.00 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1331 ATOM 1331 O LEU A 154 40.717 -46.322 100.582 1.00 43.24 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1332 ATOM 1332 CB LEU A 154 43.105 -47.799 99.477 1.00 41.60 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1333 ATOM 1333 CG LEU A 154 43.759 -48.886 98.630 1.00 44.01 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1334 ATOM 1334 CD1 LEU A 154 44.818 -49.601 99.434 1.00 47.04 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1335 ATOM 1335 CD2 LEU A 154 42.689 -49.837 98.136 1.00 43.81 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1336 ATOM 1336 N HIS A 155 41.956 -44.679 99.724 1.00 41.18 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1337 ATOM 1337 HN HIS A 155 42.683 -44.448 99.047 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1338 ATOM 1338 CA HIS A 155 41.450 -43.596 100.608 1.00 41.06 0.182 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1339 ATOM 1339 C HIS A 155 41.330 -42.287 99.845 1.00 41.30 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1340 ATOM 1340 O HIS A 155 42.041 -41.322 100.147 1.00 38.08 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1341 ATOM 1341 CB HIS A 155 42.397 -43.396 101.795 1.00 40.54 0.093 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1342 ATOM 1342 CG HIS A 155 42.461 -44.579 102.691 1.00 43.84 0.028 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1343 ATOM 1343 ND1 HIS A 155 41.411 -44.938 103.516 1.00 43.62 -0.354 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1344 ATOM 1344 HD1 HIS A 155 40.532 -44.430 103.611 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1345 ATOM 1345 CD2 HIS A 155 43.422 -45.518 102.866 1.00 47.38 0.114 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1346 ATOM 1346 CE1 HIS A 155 41.731 -46.047 104.163 1.00 47.55 0.180 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1347 ATOM 1347 NE2 HIS A 155 42.951 -46.414 103.798 1.00 47.51 -0.360 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1348 ATOM 1348 HE2 HIS A 155 43.457 -47.227 104.150 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1349 ATOM 1349 N PRO A 156 40.446 -42.254 98.836 1.00 41.39 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1350 ATOM 1350 CA PRO A 156 40.317 -41.075 97.991 1.00 44.86 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1351 ATOM 1351 C PRO A 156 39.544 -39.960 98.672 1.00 47.63 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1352 ATOM 1352 O PRO A 156 38.779 -40.216 99.605 1.00 51.08 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1353 ATOM 1353 CB PRO A 156 39.507 -41.607 96.799 1.00 45.94 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1354 ATOM 1354 CG PRO A 156 38.626 -42.646 97.408 1.00 43.94 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1355 ATOM 1355 CD PRO A 156 39.494 -43.312 98.441 1.00 42.58 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1356 ATOM 1356 N GLN A 157 39.742 -38.739 98.198 1.00 49.08 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1357 ATOM 1357 HN GLN A 157 40.499 -38.592 97.531 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1358 ATOM 1358 CA GLN A 157 38.926 -37.597 98.588 1.00 53.91 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1359 ATOM 1359 C GLN A 157 37.696 -37.529 97.658 1.00 53.60 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1360 ATOM 1360 O GLN A 157 37.821 -37.263 96.458 1.00 51.02 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1361 ATOM 1361 CB GLN A 157 39.758 -36.310 98.518 1.00 59.51 0.044 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1362 ATOM 1362 CG GLN A 157 39.014 -35.070 98.982 1.00 70.73 0.105 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1363 ATOM 1363 CD GLN A 157 39.866 -33.821 98.898 1.00 80.51 0.215 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1364 ATOM 1364 OE1 GLN A 157 40.884 -33.709 99.590 1.00 87.07 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1365 ATOM 1365 NE2 GLN A 157 39.458 -32.868 98.045 1.00 77.15 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1366 ATOM 1366 1HE2 GLN A 157 38.618 -32.960 97.474 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1367 ATOM 1367 2HE2 GLN A 157 40.032 -32.027 97.988 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1368 ATOM 1368 N VAL A 158 36.513 -37.754 98.221 1.00 56.70 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1369 ATOM 1369 HN VAL A 158 36.461 -37.815 99.238 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1370 ATOM 1370 CA VAL A 158 35.277 -37.919 97.444 1.00 57.24 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1371 ATOM 1371 C VAL A 158 34.440 -36.643 97.457 1.00 55.94 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1372 ATOM 1372 O VAL A 158 34.413 -35.929 98.436 1.00 55.57 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1373 ATOM 1373 CB VAL A 158 34.422 -39.089 98.002 1.00 59.29 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1374 ATOM 1374 CG1 VAL A 158 33.294 -39.467 97.025 1.00 57.86 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1375 ATOM 1375 CG2 VAL A 158 35.308 -40.290 98.315 1.00 57.64 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1376 ATOM 1376 N HIS A 159 33.773 -36.369 96.351 1.00 66.62 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1377 ATOM 1377 HN HIS A 159 33.921 -36.968 95.539 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1378 ATOM 1378 CA HIS A 159 32.838 -35.259 96.226 1.00 74.27 0.182 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1379 ATOM 1379 C HIS A 159 31.590 -35.810 95.505 1.00 73.67 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1380 ATOM 1380 O HIS A 159 31.723 -36.636 94.609 1.00 71.50 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1381 ATOM 1381 CB HIS A 159 33.507 -34.097 95.469 1.00 79.66 0.093 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1382 ATOM 1382 CG HIS A 159 32.597 -32.929 95.234 1.00 96.86 0.028 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1383 ATOM 1383 ND1 HIS A 159 32.284 -32.017 96.222 1.00103.33 -0.354 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1384 ATOM 1384 HD1 HIS A 159 32.638 -32.039 97.179 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1385 ATOM 1385 CD2 HIS A 159 31.910 -32.541 94.132 1.00 98.20 0.114 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1386 ATOM 1386 CE1 HIS A 159 31.455 -31.111 95.735 1.00102.94 0.180 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1387 ATOM 1387 NE2 HIS A 159 31.210 -31.406 94.470 1.00 99.64 -0.360 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1388 ATOM 1388 HE2 HIS A 159 30.601 -30.878 93.846 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1389 ATOM 1389 N ASP A 160 30.385 -35.385 95.899 1.00 81.63 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1390 ATOM 1390 HN ASP A 160 30.323 -34.658 96.612 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1391 ATOM 1391 CA ASP A 160 29.136 -35.944 95.325 1.00 80.52 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1392 ATOM 1392 C ASP A 160 28.389 -34.943 94.420 1.00 78.90 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1393 ATOM 1393 O ASP A 160 28.156 -33.809 94.826 1.00 78.40 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1394 ATOM 1394 CB ASP A 160 28.252 -36.480 96.456 1.00 83.53 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1395 ATOM 1395 CG ASP A 160 28.927 -37.619 97.251 1.00 84.35 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1396 ATOM 1396 OD1 ASP A 160 29.861 -38.272 96.732 1.00 90.65 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1397 ATOM 1397 OD2 ASP A 160 28.526 -37.870 98.406 1.00 80.37 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1398 ATOM 1398 N GLN A 161 28.064 -35.362 93.190 1.00 81.05 -0.349 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1399 ATOM 1399 HN GLN A 161 28.293 -36.322 92.934 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1400 ATOM 1400 CA GLN A 161 27.393 -34.516 92.181 1.00 83.40 0.142 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1401 ATOM 1401 C GLN A 161 26.061 -35.158 91.780 1.00 90.25 0.255 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1402 ATOM 1402 O GLN A 161 25.349 -35.724 92.621 1.00 92.11 -0.305 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1403 ATOM 1403 CB GLN A 161 28.282 -34.328 90.939 1.00 76.16 0.039 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1404 ATOM 1404 N ILE A 172 23.152 -39.627 93.085 1.00 95.75 -0.066 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1405 ATOM 1405 HN1 ILE A 172 22.341 -39.117 93.436 1.00 0.00 0.275 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1406 ATOM 1406 HN2 ILE A 172 23.058 -40.635 93.207 1.00 0.00 0.275 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1407 ATOM 1407 HN3 ILE A 172 23.210 -39.609 92.067 1.00 0.00 0.275 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1408 ATOM 1408 CA ILE A 172 24.360 -39.103 93.718 1.00102.12 0.278 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1409 ATOM 1409 C ILE A 172 25.588 -39.875 93.187 1.00 92.50 0.249 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1410 ATOM 1410 O ILE A 172 25.788 -41.043 93.511 1.00 87.04 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1411 ATOM 1411 CB ILE A 172 24.228 -39.107 95.281 1.00110.62 0.021 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1412 ATOM 1412 CG1 ILE A 172 23.375 -37.897 95.772 1.00118.58 0.002 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1413 ATOM 1413 CG2 ILE A 172 25.585 -39.164 95.994 1.00106.91 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1414 ATOM 1414 CD1 ILE A 172 23.903 -36.495 95.464 1.00118.96 0.005 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1415 ATOM 1415 N ASN A 173 26.393 -39.183 92.373 1.00 86.96 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1416 ATOM 1416 HN ASN A 173 26.171 -38.200 92.218 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1417 ATOM 1417 CA ASN A 173 27.576 -39.730 91.682 1.00 76.46 0.185 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1418 ATOM 1418 C ASN A 173 28.872 -39.455 92.478 1.00 68.23 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1419 ATOM 1419 O ASN A 173 29.185 -38.292 92.724 1.00 66.16 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1420 ATOM 1420 CB ASN A 173 27.678 -39.061 90.290 1.00 72.76 0.137 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1421 ATOM 1421 CG ASN A 173 28.695 -39.728 89.374 1.00 74.47 0.217 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1422 ATOM 1422 OD1 ASN A 173 28.937 -40.930 89.464 1.00 76.50 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1423 ATOM 1423 ND2 ASN A 173 29.288 -38.947 88.475 1.00 72.89 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1424 ATOM 1424 1HD2 ASN A 173 29.969 -39.394 87.861 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1425 ATOM 1425 2HD2 ASN A 173 29.087 -37.950 88.400 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1426 ATOM 1426 N HIS A 174 29.613 -40.505 92.865 1.00 64.26 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1427 ATOM 1427 HN HIS A 174 29.258 -41.445 92.688 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1428 ATOM 1428 CA HIS A 174 30.931 -40.357 93.541 1.00 67.34 0.182 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1429 ATOM 1429 C HIS A 174 32.069 -39.923 92.556 1.00 63.80 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1430 ATOM 1430 O HIS A 174 32.408 -40.665 91.637 1.00 64.81 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1431 ATOM 1431 CB HIS A 174 31.362 -41.652 94.252 1.00 68.44 0.093 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1432 ATOM 1432 CG HIS A 174 30.413 -42.133 95.309 1.00 74.76 0.028 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1433 ATOM 1433 ND1 HIS A 174 29.915 -41.316 96.301 1.00 78.48 -0.354 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1434 ATOM 1434 HD1 HIS A 174 30.121 -40.323 96.407 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1435 ATOM 1435 CD2 HIS A 174 29.904 -43.367 95.548 1.00 75.60 0.114 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1436 ATOM 1436 CE1 HIS A 174 29.127 -42.023 97.095 1.00 79.79 0.180 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1437 ATOM 1437 NE2 HIS A 174 29.100 -43.270 96.656 1.00 76.57 -0.360 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1438 ATOM 1438 HE2 HIS A 174 28.569 -44.035 97.073 1.00 0.00 0.166 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1439 ATOM 1439 N ILE A 175 32.628 -38.724 92.766 1.00 58.88 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1440 ATOM 1440 HN ILE A 175 32.229 -38.142 93.502 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1441 ATOM 1441 CA ILE A 175 33.773 -38.181 92.018 1.00 57.72 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1442 ATOM 1442 C ILE A 175 35.009 -38.110 92.945 1.00 53.42 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1443 ATOM 1443 O ILE A 175 34.887 -37.659 94.077 1.00 53.04 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1444 ATOM 1444 CB ILE A 175 33.444 -36.761 91.486 1.00 61.53 0.013 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1445 ATOM 1445 CG1 ILE A 175 32.264 -36.820 90.504 1.00 67.40 0.002 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1446 ATOM 1446 CG2 ILE A 175 34.653 -36.101 90.820 1.00 59.05 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1447 ATOM 1447 CD1 ILE A 175 31.643 -35.467 90.168 1.00 72.92 0.005 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1448 ATOM 1448 N PHE A 176 36.180 -38.559 92.466 1.00 45.34 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1449 ATOM 1449 HN PHE A 176 36.190 -39.021 91.557 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1450 ATOM 1450 CA PHE A 176 37.452 -38.414 93.196 1.00 41.28 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1451 ATOM 1451 C PHE A 176 38.154 -37.096 92.802 1.00 42.22 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1452 ATOM 1452 O PHE A 176 38.185 -36.745 91.622 1.00 38.08 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1453 ATOM 1453 CB PHE A 176 38.408 -39.587 92.903 1.00 39.65 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1454 ATOM 1454 CG PHE A 176 37.878 -40.975 93.251 1.00 39.52 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1455 ATOM 1455 CD1 PHE A 176 36.806 -41.184 94.133 1.00 43.67 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1456 ATOM 1456 CD2 PHE A 176 38.490 -42.089 92.708 1.00 39.17 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1457 ATOM 1457 CE1 PHE A 176 36.360 -42.478 94.427 1.00 42.79 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1458 ATOM 1458 CE2 PHE A 176 38.065 -43.375 93.007 1.00 39.66 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1459 ATOM 1459 CZ PHE A 176 36.999 -43.573 93.870 1.00 41.64 0.000 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1460 ATOM 1460 N GLU A 177 38.711 -36.385 93.792 1.00 46.56 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1461 ATOM 1461 HN GLU A 177 38.543 -36.692 94.750 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1462 ATOM 1462 CA GLU A 177 39.556 -35.181 93.589 1.00 47.44 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1463 ATOM 1463 C GLU A 177 40.991 -35.510 94.007 1.00 44.06 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1464 ATOM 1464 O GLU A 177 41.227 -35.842 95.168 1.00 41.04 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1465 ATOM 1465 CB GLU A 177 39.088 -33.998 94.457 1.00 51.87 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1466 ATOM 1466 CG GLU A 177 37.590 -33.710 94.496 1.00 61.68 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1467 ATOM 1467 CD GLU A 177 37.081 -32.716 93.454 1.00 73.02 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1468 ATOM 1468 OE1 GLU A 177 35.920 -32.269 93.624 1.00 89.23 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1469 ATOM 1469 OE2 GLU A 177 37.797 -32.382 92.478 1.00 79.63 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1470 ATOM 1470 N TYR A 178 41.943 -35.418 93.082 1.00 39.97 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1471 ATOM 1471 HN TYR A 178 41.686 -35.168 92.127 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1472 ATOM 1472 CA TYR A 178 43.349 -35.667 93.400 1.00 39.29 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1473 ATOM 1473 C TYR A 178 44.128 -34.370 93.178 1.00 39.15 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1474 ATOM 1474 O TYR A 178 44.085 -33.821 92.090 1.00 35.99 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1475 ATOM 1475 CB TYR A 178 43.961 -36.782 92.517 1.00 37.93 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1476 ATOM 1476 CG TYR A 178 45.464 -36.934 92.737 1.00 38.23 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1477 ATOM 1477 CD1 TYR A 178 45.934 -37.511 93.899 1.00 40.01 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1478 ATOM 1478 CD2 TYR A 178 46.411 -36.433 91.821 1.00 38.58 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1479 ATOM 1479 CE1 TYR A 178 47.286 -37.641 94.147 1.00 39.83 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1480 ATOM 1480 CE2 TYR A 178 47.783 -36.554 92.063 1.00 37.71 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1481 ATOM 1481 CZ TYR A 178 48.204 -37.150 93.244 1.00 40.36 0.065 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1482 ATOM 1482 OH TYR A 178 49.528 -37.295 93.578 1.00 43.89 -0.361 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1483 ATOM 1483 HH TYR A 178 49.816 -37.703 94.386 1.00 0.00 0.217 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1484 ATOM 1484 N THR A 179 44.861 -33.919 94.196 1.00 40.00 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1485 ATOM 1485 HN THR A 179 44.810 -34.408 95.090 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1486 ATOM 1486 CA THR A 179 45.734 -32.755 94.084 1.00 41.28 0.205 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1487 ATOM 1487 C THR A 179 47.190 -33.230 94.024 1.00 39.55 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1488 ATOM 1488 O THR A 179 47.661 -33.897 94.925 1.00 40.85 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1489 ATOM 1489 CB THR A 179 45.521 -31.778 95.257 1.00 42.35 0.146 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1490 ATOM 1490 OG1 THR A 179 44.122 -31.442 95.364 1.00 43.90 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1491 ATOM 1491 HG1 THR A 179 43.991 -30.840 96.087 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1492 ATOM 1492 CG2 THR A 179 46.346 -30.502 95.044 1.00 41.41 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1493 ATOM 1493 N ASN A 180 47.887 -32.906 92.942 1.00 40.92 -0.345 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1494 ATOM 1494 HN ASN A 180 47.443 -32.335 92.222 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1495 ATOM 1495 CA ASN A 180 49.273 -33.341 92.747 1.00 41.07 0.185 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1496 ATOM 1496 C ASN A 180 50.169 -32.447 93.644 1.00 41.91 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1497 ATOM 1497 O ASN A 180 50.211 -31.240 93.440 1.00 37.18 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1498 ATOM 1498 CB ASN A 180 49.585 -33.208 91.259 1.00 40.83 0.137 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1499 ATOM 1499 CG ASN A 180 51.039 -33.443 90.910 1.00 43.25 0.217 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1500 ATOM 1500 OD1 ASN A 180 51.872 -33.844 91.726 1.00 43.18 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1501 ATOM 1501 ND2 ASN A 180 51.352 -33.165 89.660 1.00 49.24 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1502 ATOM 1502 1HD2 ASN A 180 52.332 -33.323 89.425 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1503 ATOM 1503 2HD2 ASN A 180 50.663 -32.833 88.985 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1504 ATOM 1504 N PRO A 181 50.830 -33.023 94.670 1.00 41.45 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1505 ATOM 1505 CA PRO A 181 51.630 -32.141 95.559 1.00 41.41 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1506 ATOM 1506 C PRO A 181 52.847 -31.469 94.864 1.00 41.55 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1507 ATOM 1507 O PRO A 181 53.379 -30.517 95.393 1.00 38.87 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1508 ATOM 1508 CB PRO A 181 52.089 -33.096 96.687 1.00 37.95 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1509 ATOM 1509 CG PRO A 181 52.103 -34.446 96.046 1.00 37.44 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1510 ATOM 1510 CD PRO A 181 50.916 -34.435 95.102 1.00 37.94 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1511 ATOM 1511 N GLU A 182 53.270 -31.957 93.701 1.00 48.11 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1512 ATOM 1512 HN GLU A 182 52.866 -32.827 93.355 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1513 ATOM 1513 CA GLU A 182 54.312 -31.276 92.888 1.00 55.23 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1514 ATOM 1514 C GLU A 182 53.981 -29.833 92.451 1.00 53.37 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1515 ATOM 1515 O GLU A 182 54.833 -28.944 92.585 1.00 52.11 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1516 ATOM 1516 CB GLU A 182 54.584 -32.070 91.622 1.00 63.66 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1517 ATOM 1517 CG GLU A 182 55.249 -33.418 91.844 1.00 70.17 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1518 ATOM 1518 CD GLU A 182 56.691 -33.301 92.291 1.00 76.68 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1519 ATOM 1519 OE1 GLU A 182 57.490 -32.539 91.656 1.00 78.01 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1520 ATOM 1520 OE2 GLU A 182 57.011 -33.997 93.279 1.00 77.72 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1521 ATOM 1521 N ASP A 183 52.762 -29.623 91.934 1.00 50.14 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1522 ATOM 1522 HN ASP A 183 52.118 -30.413 91.898 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1523 ATOM 1523 CA ASP A 183 52.290 -28.322 91.413 1.00 46.88 0.186 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1524 ATOM 1524 C ASP A 183 50.957 -27.763 91.965 1.00 47.74 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1525 ATOM 1525 O ASP A 183 50.512 -26.687 91.540 1.00 49.32 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1526 ATOM 1526 CB ASP A 183 52.192 -28.387 89.884 1.00 51.55 0.147 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1527 ATOM 1527 CG ASP A 183 51.175 -29.454 89.374 1.00 59.94 0.175 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1528 ATOM 1528 OD1 ASP A 183 50.174 -29.740 90.079 1.00 56.70 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1529 ATOM 1529 OD2 ASP A 183 51.384 -29.997 88.253 1.00 63.33 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1530 ATOM 1530 N GLY A 184 50.290 -28.471 92.873 1.00 48.75 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1531 ATOM 1531 HN GLY A 184 50.684 -29.352 93.202 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1532 ATOM 1532 CA GLY A 184 48.980 -28.010 93.423 1.00 48.14 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1533 ATOM 1533 C GLY A 184 47.736 -28.098 92.535 1.00 48.10 0.236 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1534 ATOM 1534 O GLY A 184 46.615 -27.701 92.963 1.00 44.86 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1535 ATOM 1535 N VAL A 185 47.907 -28.630 91.315 1.00 46.97 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1536 ATOM 1536 HN VAL A 185 48.843 -28.912 91.024 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1537 ATOM 1537 CA VAL A 185 46.784 -28.817 90.388 1.00 49.23 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1538 ATOM 1538 C VAL A 185 45.861 -29.963 90.824 1.00 48.09 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1539 ATOM 1539 O VAL A 185 46.337 -31.069 91.140 1.00 47.15 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1540 ATOM 1540 CB VAL A 185 47.265 -29.077 88.951 1.00 53.00 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1541 ATOM 1541 CG1 VAL A 185 46.077 -29.281 88.012 1.00 52.55 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1542 ATOM 1542 CG2 VAL A 185 48.117 -27.908 88.467 1.00 54.54 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1543 ATOM 1543 N THR A 186 44.557 -29.678 90.841 1.00 45.24 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1544 ATOM 1544 HN THR A 186 44.260 -28.738 90.579 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1545 ATOM 1545 CA THR A 186 43.540 -30.649 91.217 1.00 49.39 0.205 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1546 ATOM 1546 C THR A 186 42.806 -31.240 90.004 1.00 50.32 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1547 ATOM 1547 O THR A 186 42.266 -30.518 89.183 1.00 56.10 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1548 ATOM 1548 CB THR A 186 42.576 -30.044 92.234 1.00 48.73 0.146 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1549 ATOM 1549 OG1 THR A 186 43.307 -29.801 93.443 1.00 51.19 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1550 ATOM 1550 HG1 THR A 186 44.029 -29.217 93.242 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1551 ATOM 1551 CG2 THR A 186 41.405 -30.992 92.561 1.00 50.83 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1552 ATOM 1552 N TYR A 187 42.820 -32.566 89.899 1.00 49.05 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1553 ATOM 1553 HN TYR A 187 43.309 -33.107 90.613 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1554 ATOM 1554 CA TYR A 187 42.169 -33.278 88.811 1.00 45.18 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1555 ATOM 1555 C TYR A 187 40.944 -34.012 89.354 1.00 43.86 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1556 ATOM 1556 O TYR A 187 40.936 -34.480 90.499 1.00 46.53 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1557 ATOM 1557 CB TYR A 187 43.127 -34.289 88.181 1.00 44.66 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1558 ATOM 1558 CG TYR A 187 44.406 -33.739 87.588 1.00 47.77 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1559 ATOM 1559 CD1 TYR A 187 44.477 -33.357 86.237 1.00 51.01 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1560 ATOM 1560 CD2 TYR A 187 45.568 -33.620 88.363 1.00 46.66 0.010 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1561 ATOM 1561 CE1 TYR A 187 45.666 -32.866 85.688 1.00 52.60 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1562 ATOM 1562 CE2 TYR A 187 46.761 -33.145 87.821 1.00 45.74 0.037 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1563 ATOM 1563 CZ TYR A 187 46.816 -32.763 86.491 1.00 52.06 0.065 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1564 ATOM 1564 OH TYR A 187 48.011 -32.285 85.961 1.00 55.22 -0.361 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1565 ATOM 1565 HH TYR A 187 48.788 -32.215 86.503 1.00 0.00 0.217 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1566 ATOM 1566 N GLN A 188 39.921 -34.114 88.513 1.00 45.54 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1567 ATOM 1567 HN GLN A 188 39.979 -33.619 87.623 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1568 ATOM 1568 CA GLN A 188 38.712 -34.898 88.790 1.00 47.75 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1569 ATOM 1569 C GLN A 188 38.759 -36.217 88.038 1.00 42.01 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1570 ATOM 1570 O GLN A 188 38.942 -36.214 86.820 1.00 37.37 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1571 ATOM 1571 CB GLN A 188 37.452 -34.165 88.339 1.00 52.13 0.044 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1572 ATOM 1572 CG GLN A 188 37.152 -32.895 89.122 1.00 64.21 0.105 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1573 ATOM 1573 CD GLN A 188 35.655 -32.616 89.224 1.00 73.90 0.215 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1574 ATOM 1574 OE1 GLN A 188 34.880 -32.810 88.254 1.00 74.13 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1575 ATOM 1575 NE2 GLN A 188 35.231 -32.174 90.410 1.00 77.49 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1576 ATOM 1576 1HE2 GLN A 188 35.860 -32.017 91.197 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1577 ATOM 1577 2HE2 GLN A 188 34.231 -31.988 90.478 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1578 ATOM 1578 N ILE A 189 38.537 -37.311 88.763 1.00 37.57 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1579 ATOM 1579 HN ILE A 189 38.369 -37.202 89.763 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1580 ATOM 1580 CA ILE A 189 38.522 -38.652 88.205 1.00 39.16 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1581 ATOM 1581 C ILE A 189 37.138 -39.291 88.487 1.00 38.46 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1582 ATOM 1582 O ILE A 189 36.720 -39.355 89.639 1.00 35.51 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1583 ATOM 1583 CB ILE A 189 39.674 -39.522 88.808 1.00 37.52 0.013 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1584 ATOM 1584 CG1 ILE A 189 41.023 -38.798 88.680 1.00 40.66 0.002 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1585 ATOM 1585 CG2 ILE A 189 39.759 -40.876 88.107 1.00 36.87 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1586 ATOM 1586 CD1 ILE A 189 42.213 -39.479 89.339 1.00 39.16 0.005 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1587 ATOM 1587 N LYS A 190 36.468 -39.805 87.447 1.00 39.34 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1588 ATOM 1588 HN LYS A 190 36.904 -39.799 86.525 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1589 ATOM 1589 CA LYS A 190 35.134 -40.372 87.595 1.00 40.00 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1590 ATOM 1590 C LYS A 190 34.765 -41.434 86.565 1.00 37.97 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1591 ATOM 1591 O LYS A 190 35.551 -41.743 85.648 1.00 37.04 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1592 ATOM 1592 CB LYS A 190 34.120 -39.241 87.558 1.00 47.31 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1593 ATOM 1593 CG LYS A 190 34.053 -38.467 86.248 1.00 49.59 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1594 ATOM 1594 CD LYS A 190 33.435 -37.090 86.473 1.00 54.86 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1595 ATOM 1595 CE LYS A 190 33.615 -36.145 85.286 1.00 65.94 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1596 ATOM 1596 NZ LYS A 190 34.181 -34.823 85.736 1.00 73.66 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1597 ATOM 1597 HZ1 LYS A 190 34.301 -34.192 84.944 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1598 ATOM 1598 HZ2 LYS A 190 35.049 -34.942 86.259 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1599 ATOM 1599 HZ3 LYS A 190 33.615 -34.401 86.472 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1600 ATOM 1600 N GLY A 191 33.583 -42.037 86.739 1.00 36.71 -0.351 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1601 ATOM 1601 HN GLY A 191 33.032 -41.839 87.574 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1602 ATOM 1602 CA GLY A 191 33.075 -42.978 85.740 1.00 36.94 0.225 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1603 ATOM 1603 C GLY A 191 33.874 -44.277 85.661 1.00 36.06 0.236 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1604 ATOM 1604 O GLY A 191 34.414 -44.728 86.681 1.00 37.33 -0.272 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1605 ATOM 1605 N MET A 192 33.957 -44.855 84.463 0.62 35.83 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1606 ATOM 1606 HN MET A 192 33.505 -44.410 83.664 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1607 ATOM 1607 CA MET A 192 34.675 -46.103 84.267 0.62 39.92 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1608 ATOM 1608 C MET A 192 36.167 -45.970 84.642 0.62 35.52 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1609 ATOM 1609 O MET A 192 36.758 -46.910 85.184 0.62 32.10 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1610 ATOM 1610 CB MET A 192 34.502 -46.635 82.826 0.62 45.02 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1611 ATOM 1611 CG MET A 192 35.253 -45.864 81.733 0.62 54.72 0.076 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1612 ATOM 1612 SD MET A 192 35.430 -46.763 80.166 0.62 64.76 -0.173 SA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1613 ATOM 1613 CE MET A 192 36.958 -46.032 79.570 0.62 61.72 0.089 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1614 ATOM 1614 N THR A 193 36.748 -44.802 84.349 1.00 31.49 -0.344 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1615 ATOM 1615 HN THR A 193 36.188 -44.084 83.889 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1616 ATOM 1616 CA THR A 193 38.160 -44.499 84.658 1.00 30.45 0.205 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1617 ATOM 1617 C THR A 193 38.435 -44.664 86.145 1.00 29.69 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1618 ATOM 1618 O THR A 193 39.418 -45.332 86.550 1.00 33.11 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1619 ATOM 1619 CB THR A 193 38.547 -43.064 84.211 1.00 29.76 0.146 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1620 ATOM 1620 OG1 THR A 193 38.381 -42.925 82.786 1.00 28.98 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1621 ATOM 1621 HG1 THR A 193 38.618 -42.047 82.512 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1622 ATOM 1622 CG2 THR A 193 40.004 -42.747 84.571 1.00 30.26 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1623 ATOM 1623 N ALA A 194 37.554 -44.097 86.952 1.00 26.63 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1624 ATOM 1624 HN ALA A 194 36.810 -43.522 86.556 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1625 ATOM 1625 CA ALA A 194 37.626 -44.280 88.411 1.00 28.29 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1626 ATOM 1626 C ALA A 194 37.317 -45.708 88.872 1.00 28.05 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1627 ATOM 1627 O ALA A 194 37.975 -46.183 89.787 1.00 28.53 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1628 ATOM 1628 CB ALA A 194 36.720 -43.282 89.134 1.00 27.49 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1629 ATOM 1629 N ASN A 195 36.337 -46.390 88.260 1.00 29.66 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1630 ATOM 1630 HN ASN A 195 35.800 -45.940 87.519 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1631 ATOM 1631 CA ASN A 195 36.019 -47.794 88.645 1.00 30.22 0.185 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1632 ATOM 1632 C ASN A 195 37.218 -48.724 88.432 1.00 27.43 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1633 ATOM 1633 O ASN A 195 37.546 -49.528 89.298 1.00 29.19 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1634 ATOM 1634 CB ASN A 195 34.799 -48.375 87.896 1.00 30.33 0.137 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1635 ATOM 1635 CG ASN A 195 33.515 -47.570 88.115 1.00 34.32 0.217 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1636 ATOM 1636 OD1 ASN A 195 33.375 -46.857 89.091 1.00 34.06 -0.274 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1637 ATOM 1637 ND2 ASN A 195 32.571 -47.681 87.172 1.00 35.09 -0.370 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1638 ATOM 1638 1HD2 ASN A 195 32.688 -48.279 86.354 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1639 ATOM 1639 2HD2 ASN A 195 31.716 -47.145 87.318 1.00 0.00 0.159 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1640 ATOM 1640 N LEU A 196 37.878 -48.583 87.292 1.00 27.41 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1641 ATOM 1641 HN LEU A 196 37.568 -47.866 86.636 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1642 ATOM 1642 CA LEU A 196 39.042 -49.416 86.928 1.00 27.59 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1643 ATOM 1643 C LEU A 196 40.270 -49.138 87.814 1.00 28.32 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1644 ATOM 1644 O LEU A 196 41.033 -50.053 88.170 1.00 29.18 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1645 ATOM 1645 CB LEU A 196 39.378 -49.261 85.437 1.00 26.61 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1646 ATOM 1646 CG LEU A 196 38.334 -49.801 84.441 1.00 28.90 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1647 ATOM 1647 CD1 LEU A 196 38.667 -49.387 83.011 1.00 31.33 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1648 ATOM 1648 CD2 LEU A 196 38.193 -51.312 84.478 1.00 28.43 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1649 ATOM 1649 N ALA A 197 40.447 -47.889 88.207 1.00 29.25 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1650 ATOM 1650 HN ALA A 197 39.789 -47.165 87.918 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1651 ATOM 1651 CA ALA A 197 41.589 -47.544 89.059 1.00 30.06 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1652 ATOM 1652 C ALA A 197 41.475 -48.205 90.446 1.00 29.66 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1653 ATOM 1653 O ALA A 197 42.463 -48.707 91.000 1.00 24.73 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1654 ATOM 1654 CB ALA A 197 41.710 -46.029 89.173 1.00 29.84 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1655 ATOM 1655 N VAL A 198 40.259 -48.169 91.002 1.00 30.34 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1656 ATOM 1656 HN VAL A 198 39.514 -47.668 90.518 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1657 ATOM 1657 CA VAL A 198 39.953 -48.826 92.290 1.00 28.25 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1658 ATOM 1658 C VAL A 198 40.135 -50.320 92.149 1.00 27.82 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1659 ATOM 1659 O VAL A 198 40.797 -50.917 92.974 1.00 30.61 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1660 ATOM 1660 CB VAL A 198 38.512 -48.462 92.786 1.00 28.88 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1661 ATOM 1661 CG1 VAL A 198 38.034 -49.342 93.930 1.00 29.05 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1662 ATOM 1662 CG2 VAL A 198 38.447 -47.000 93.217 1.00 28.99 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1663 ATOM 1663 N LEU A 199 39.591 -50.919 91.091 1.00 27.51 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1664 ATOM 1664 HN LEU A 199 39.013 -50.378 90.448 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1665 ATOM 1665 CA LEU A 199 39.813 -52.343 90.841 1.00 29.04 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1666 ATOM 1666 C LEU A 199 41.296 -52.763 90.901 1.00 29.26 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1667 ATOM 1667 O LEU A 199 41.652 -53.691 91.620 1.00 30.51 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1668 ATOM 1668 CB LEU A 199 39.214 -52.759 89.486 1.00 28.64 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1669 ATOM 1669 CG LEU A 199 39.448 -54.224 89.072 1.00 29.65 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1670 ATOM 1670 CD1 LEU A 199 38.834 -55.218 90.043 1.00 32.44 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1671 ATOM 1671 CD2 LEU A 199 38.940 -54.482 87.665 1.00 30.94 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1672 ATOM 1672 N VAL A 200 42.133 -52.088 90.119 1.00 31.14 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1673 ATOM 1673 HN VAL A 200 41.749 -51.345 89.535 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1674 ATOM 1674 CA VAL A 200 43.595 -52.350 90.044 1.00 31.96 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1675 ATOM 1675 C VAL A 200 44.281 -52.191 91.418 1.00 33.55 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1676 ATOM 1676 O VAL A 200 45.065 -53.072 91.819 1.00 31.89 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1677 ATOM 1677 CB VAL A 200 44.270 -51.415 88.997 1.00 31.19 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1678 ATOM 1678 CG1 VAL A 200 45.779 -51.407 89.147 1.00 32.07 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1679 ATOM 1679 CG2 VAL A 200 43.922 -51.890 87.597 1.00 30.93 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1680 ATOM 1680 N ALA A 201 43.973 -51.090 92.125 1.00 30.45 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1681 ATOM 1681 HN ALA A 201 43.411 -50.363 91.682 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1682 ATOM 1682 CA ALA A 201 44.419 -50.894 93.522 1.00 30.09 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1683 ATOM 1683 C ALA A 201 44.035 -52.018 94.476 1.00 31.80 0.240 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1684 ATOM 1684 O ALA A 201 44.881 -52.460 95.260 1.00 31.62 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1685 ATOM 1685 CB ALA A 201 43.895 -49.589 94.069 1.00 30.49 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1686 ATOM 1686 N PHE A 202 42.781 -52.492 94.433 1.00 31.51 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1687 ATOM 1687 HN PHE A 202 42.083 -52.039 93.843 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1688 ATOM 1688 CA PHE A 202 42.410 -53.681 95.248 1.00 31.08 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1689 ATOM 1689 C PHE A 202 43.227 -54.911 94.846 1.00 32.96 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1690 ATOM 1690 O PHE A 202 43.785 -55.600 95.699 1.00 31.71 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1691 ATOM 1691 CB PHE A 202 40.927 -54.081 95.130 1.00 29.37 0.073 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1692 ATOM 1692 CG PHE A 202 39.952 -53.123 95.742 1.00 29.58 -0.056 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1693 ATOM 1693 CD1 PHE A 202 40.318 -52.184 96.718 1.00 30.42 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1694 ATOM 1694 CD2 PHE A 202 38.606 -53.213 95.379 1.00 31.16 0.007 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1695 ATOM 1695 CE1 PHE A 202 39.362 -51.313 97.268 1.00 32.11 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1696 ATOM 1696 CE2 PHE A 202 37.646 -52.361 95.935 1.00 33.52 0.001 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1697 ATOM 1697 CZ PHE A 202 38.028 -51.395 96.881 1.00 31.65 0.000 A
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1698 ATOM 1698 N ILE A 203 43.273 -55.213 93.549 1.00 31.76 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1699 ATOM 1699 HN ILE A 203 42.810 -54.614 92.865 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1700 ATOM 1700 CA ILE A 203 43.993 -56.411 93.113 1.00 31.80 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1701 ATOM 1701 C ILE A 203 45.417 -56.480 93.675 1.00 30.97 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1702 ATOM 1702 O ILE A 203 45.842 -57.522 94.115 1.00 32.27 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1703 ATOM 1703 CB ILE A 203 44.011 -56.547 91.582 1.00 29.88 0.013 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1704 ATOM 1704 CG1 ILE A 203 42.615 -56.932 91.089 1.00 31.22 0.002 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1705 ATOM 1705 CG2 ILE A 203 44.985 -57.633 91.144 1.00 31.22 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1706 ATOM 1706 CD1 ILE A 203 42.412 -56.800 89.584 1.00 31.70 0.005 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1707 ATOM 1707 N ILE A 204 46.136 -55.364 93.641 1.00 33.28 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1708 ATOM 1708 HN ILE A 204 45.665 -54.488 93.414 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1709 ATOM 1709 CA ILE A 204 47.576 -55.334 93.915 1.00 33.93 0.180 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1710 ATOM 1710 C ILE A 204 47.918 -55.068 95.381 1.00 33.13 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1711 ATOM 1711 O ILE A 204 48.932 -55.556 95.854 1.00 32.45 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1712 ATOM 1712 CB ILE A 204 48.280 -54.264 93.017 1.00 35.48 0.013 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1713 ATOM 1713 CG1 ILE A 204 48.244 -54.680 91.535 1.00 35.26 0.002 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1714 ATOM 1714 CG2 ILE A 204 49.740 -54.070 93.406 1.00 36.71 0.012 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1715 ATOM 1715 CD1 ILE A 204 48.712 -53.599 90.590 1.00 35.62 0.005 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1716 ATOM 1716 N LEU A 205 47.120 -54.253 96.073 1.00 34.19 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1717 ATOM 1717 HN LEU A 205 46.256 -53.921 95.645 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1718 ATOM 1718 CA LEU A 205 47.454 -53.824 97.430 1.00 35.43 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1719 ATOM 1719 C LEU A 205 46.708 -54.548 98.558 1.00 36.13 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1720 ATOM 1720 O LEU A 205 47.160 -54.484 99.689 1.00 36.79 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1721 ATOM 1721 CB LEU A 205 47.247 -52.323 97.590 1.00 34.69 0.038 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1722 ATOM 1722 CG LEU A 205 48.010 -51.393 96.654 1.00 38.12 -0.020 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1723 ATOM 1723 CD1 LEU A 205 47.594 -49.982 96.995 1.00 36.91 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1724 ATOM 1724 CD2 LEU A 205 49.541 -51.525 96.741 1.00 39.01 0.009 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1725 ATOM 1725 N GLU A 206 45.607 -55.231 98.273 1.00 36.81 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1726 ATOM 1726 HN GLU A 206 45.279 -55.280 97.308 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1727 ATOM 1727 CA GLU A 206 44.854 -55.918 99.334 1.00 42.36 0.177 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1728 ATOM 1728 C GLU A 206 45.680 -56.976 100.028 1.00 43.88 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1729 ATOM 1729 O GLU A 206 46.457 -57.657 99.379 1.00 41.67 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1730 ATOM 1730 CB GLU A 206 43.569 -56.571 98.834 1.00 41.28 0.045 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1731 ATOM 1731 CG GLU A 206 43.746 -57.881 98.078 1.00 45.02 0.116 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1732 ATOM 1732 CD GLU A 206 42.430 -58.463 97.579 1.00 51.22 0.172 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1733 ATOM 1733 OE1 GLU A 206 41.344 -57.945 97.947 1.00 51.29 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1734 ATOM 1734 OE2 GLU A 206 42.495 -59.435 96.799 1.00 55.34 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1735 ATOM 1735 N LYS A 207 45.480 -57.105 101.342 1.00 51.24 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1736 ATOM 1736 HN LYS A 207 44.865 -56.433 101.802 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1737 ATOM 1737 CA LYS A 207 46.095 -58.161 102.168 1.00 59.50 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1738 ATOM 1738 C LYS A 207 47.623 -58.238 102.023 1.00 60.98 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1739 ATOM 1739 O LYS A 207 48.122 -59.233 101.509 1.00 65.86 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1740 ATOM 1740 CB LYS A 207 45.476 -59.529 101.846 1.00 62.79 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1741 ATOM 1741 CG LYS A 207 44.059 -59.729 102.333 1.00 71.02 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1742 ATOM 1742 CD LYS A 207 43.709 -61.218 102.279 1.00 82.75 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1743 ATOM 1743 CE LYS A 207 44.291 -62.000 103.467 1.00 85.07 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1744 ATOM 1744 NZ LYS A 207 44.951 -63.258 103.017 1.00 86.02 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1745 ATOM 1745 HZ1 LYS A 207 45.337 -63.777 103.806 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1746 ATOM 1746 HZ2 LYS A 207 45.659 -63.075 102.306 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1747 ATOM 1747 HZ3 LYS A 207 44.318 -63.835 102.463 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1748 ATOM 1748 N LYS A 208 48.353 -57.199 102.453 1.00 65.75 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1749 ATOM 1749 HN LYS A 208 47.871 -56.385 102.834 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1750 ATOM 1750 CA LYS A 208 49.835 -57.190 102.395 1.00 81.45 0.176 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1751 ATOM 1751 C LYS A 208 50.469 -56.799 103.745 1.00 86.22 0.243 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1752 ATOM 1752 O LYS A 208 50.028 -55.816 104.356 1.00 73.38 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1753 ATOM 1753 CB LYS A 208 50.369 -56.249 101.285 1.00 89.25 0.035 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1754 ATOM 1754 CG LYS A 208 50.531 -56.906 99.913 1.00 91.32 0.004 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1755 ATOM 1755 CD LYS A 208 51.785 -56.470 99.170 1.00 92.88 0.027 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1756 ATOM 1756 CE LYS A 208 51.747 -54.999 98.807 1.00 92.46 0.229 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1757 ATOM 1757 NZ LYS A 208 52.588 -54.764 97.605 1.00 99.80 -0.079 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1758 ATOM 1758 HZ1 LYS A 208 52.562 -53.774 97.361 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1759 ATOM 1759 HZ2 LYS A 208 52.319 -55.361 96.823 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1760 ATOM 1760 HZ3 LYS A 208 53.541 -55.106 97.728 1.00 0.00 0.274 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1761 ATOM 1761 N PRO A 209 51.506 -57.566 104.205 1.00 98.41 -0.337 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1762 ATOM 1762 CA PRO A 209 52.330 -57.170 105.378 1.00 99.39 0.179 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1763 ATOM 1763 C PRO A 209 53.065 -55.814 105.229 1.00 98.96 0.241 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1764 ATOM 1764 O PRO A 209 53.300 -55.369 104.104 1.00 95.41 -0.271 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1765 ATOM 1765 CB PRO A 209 53.353 -58.319 105.493 1.00 98.81 0.037 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1766 ATOM 1766 CG PRO A 209 52.698 -59.496 104.846 1.00 96.59 0.022 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1767 ATOM 1767 CD PRO A 209 51.849 -58.935 103.741 1.00 96.01 0.127 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1768 ATOM 1768 N THR A 210 53.398 -55.171 106.353 1.00100.71 -0.346 N
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1769 ATOM 1769 HN THR A 210 53.020 -55.508 107.239 1.00 0.00 0.163 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1770 ATOM 1770 CA THR A 210 54.290 -53.993 106.366 1.00104.85 0.174 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1771 ATOM 1771 C THR A 210 55.640 -54.361 107.005 1.00102.90 0.258 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1772 ATOM 1772 O THR A 210 56.683 -54.337 106.345 1.00 87.40 -0.305 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1773 ATOM 1773 CB THR A 210 53.657 -52.764 107.082 1.00104.75 0.143 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1774 ATOM 1774 OG1 THR A 210 53.640 -52.948 108.509 1.00101.45 -0.393 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1775 ATOM 1775 HG1 THR A 210 54.522 -53.102 108.826 1.00 0.00 0.210 HD
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1776 ATOM 1776 CG2 THR A 210 52.243 -52.517 106.574 1.00102.63 0.042 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1777 TER 1777 THR A 210
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1778 HETATM 1777 O HOH B 1 49.980 -52.344 68.182 1.00 48.00 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1779 HETATM 1778 O HOH B 2 34.353 -58.917 71.655 1.00 38.39 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1780 HETATM 1779 O HOH B 5 52.904 -39.443 69.430 1.00 56.63 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1781 HETATM 1780 O HOH B 6 48.416 -52.900 65.648 1.00 33.90 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1782 HETATM 1781 O HOH B 8 36.868 -54.820 73.025 1.00 30.81 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1783 HETATM 1782 O HOH B 9 34.902 -64.340 72.746 1.00 40.65 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1784 HETATM 1783 O HOH B 10 41.692 -55.893 63.850 1.00 32.95 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1785 HETATM 1784 O HOH B 11 43.092 -40.508 75.824 1.00 54.44 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1786 HETATM 1785 O HOH B 12 48.881 -55.571 65.520 1.00 36.44 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1787 HETATM 1786 O HOH B 13 65.280 -48.309 80.238 1.00 51.88 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1788 HETATM 1787 O HOH B 14 39.016 -53.814 71.325 1.00 43.91 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1789 HETATM 1788 O HOH B 15 49.718 -31.428 75.357 1.00 48.62 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1790 HETATM 1789 O HOH B 17 34.678 -52.650 66.283 1.00 40.50 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1791 HETATM 1790 O HOH B 19 49.195 -51.243 63.593 1.00 50.70 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1792 HETATM 1791 O HOH B 20 35.411 -42.359 82.741 1.00 41.32 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1793 HETATM 1792 O HOH B 21 44.650 -59.441 73.144 1.00 44.91 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1794 HETATM 1793 O HOH B 22 54.742 -54.819 74.318 1.00 46.49 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1795 HETATM 1794 O HOH B 23 26.165 -53.499 81.996 1.00 43.37 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1796 HETATM 1795 O HOH B 25 35.252 -68.020 74.834 1.00 63.21 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1797 HETATM 1796 O HOH B 26 46.254 -47.668 62.024 1.00 44.04 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1798 HETATM 1797 O HOH B 27 62.395 -46.538 77.908 1.00 57.79 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1799 HETATM 1798 O HOH B 28 58.242 -52.601 81.359 1.00 44.50 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1800 HETATM 1799 O HOH B 29 48.319 -29.262 74.516 1.00 70.00 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1801 HETATM 1800 O HOH B 30 32.589 -43.520 81.990 1.00 47.54 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1802 HETATM 1801 O HOH B 31 41.968 -60.135 71.574 1.00 42.94 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1803 HETATM 1802 O HOH B 34 49.595 -57.834 70.912 1.00 49.16 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1804 HETATM 1803 O HOH B 35 57.759 -41.845 71.020 1.00 68.92 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1805 HETATM 1804 O HOH B 36 33.359 -57.122 66.564 1.00 58.15 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1806 HETATM 1805 O HOH B 37 53.901 -56.650 76.030 1.00 45.99 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1807 HETATM 1806 O HOH B 38 38.499 -61.290 76.615 1.00 50.51 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1808 HETATM 1807 O HOH B 39 52.627 -48.749 73.046 1.00 44.96 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1809 HETATM 1808 O HOH B 40 42.570 -38.895 73.960 1.00 45.71 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1810 HETATM 1809 O HOH B 42 38.862 -48.609 63.419 1.00 55.99 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1811 HETATM 1810 O HOH B 43 25.135 -48.985 78.883 1.00 55.95 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1812 HETATM 1811 O HOH B 44 42.348 -60.644 74.468 1.00 43.84 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1813 HETATM 1812 O HOH B 45 49.490 -52.902 58.772 1.00 45.41 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1814 HETATM 1813 O HOH B 46 43.331 -28.561 74.987 1.00 57.45 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1815 HETATM 1814 O HOH B 48 45.399 -30.109 73.639 1.00 54.79 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1816 HETATM 1815 O HOH B 49 51.282 -62.254 82.379 1.00 58.27 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1817 HETATM 1816 O HOH B 50 46.155 -45.134 63.807 1.00 52.26 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1818 HETATM 1817 O HOH B 53 25.621 -56.209 75.126 1.00 34.56 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1819 HETATM 1818 O HOH B 55 50.673 -45.755 66.810 1.00 46.23 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1820 HETATM 1819 O HOH B 56 39.876 -44.335 68.347 1.00 47.12 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1821 HETATM 1820 O HOH B 58 58.422 -43.280 83.292 1.00 55.22 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1822 HETATM 1821 O HOH B 59 37.725 -58.881 75.551 1.00 43.80 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1823 HETATM 1822 O HOH B 61 49.571 -33.584 66.429 1.00 63.45 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1824 HETATM 1823 O HOH B 62 45.543 -61.240 78.558 1.00 60.08 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1825 HETATM 1824 O HOH B 63 42.057 -61.167 67.220 1.00 49.89 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1826 HETATM 1825 O HOH B 64 26.900 -53.777 75.264 1.00 59.32 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1827 HETATM 1826 O HOH B 65 52.480 -36.511 68.114 1.00 61.37 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1828 HETATM 1827 O HOH B 66 52.070 -43.340 66.550 1.00 53.91 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1829 HETATM 1828 O HOH B 68 49.347 -49.691 58.639 1.00 46.03 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1830 HETATM 1829 O HOH B 69 53.779 -38.372 71.476 1.00 60.91 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1831 HETATM 1830 O HOH B 72 21.161 -53.062 69.370 1.00 65.49 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1832 HETATM 1831 O HOH B 75 40.625 -60.432 69.396 1.00 63.58 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1833 HETATM 1832 O HOH B 77 31.676 -62.787 65.937 1.00 62.47 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1834 HETATM 1833 O HOH B 78 45.355 -62.908 70.984 1.00 64.61 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1835 HETATM 1834 O HOH B 79 41.696 -46.349 66.079 1.00 46.70 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1836 HETATM 1835 O HOH B 80 45.626 -30.347 82.991 1.00 58.11 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1837 HETATM 1836 O HOH B 82 63.229 -37.899 78.202 1.00 73.13 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1838 HETATM 1837 O HOH B 85 58.472 -54.957 82.520 1.00 52.46 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1839 HETATM 1838 O HOH B 86 35.075 -44.041 67.712 1.00 55.02 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1840 HETATM 1839 O HOH B 88 60.593 -50.287 70.133 1.00 61.48 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1841 HETATM 1840 O HOH B 90 43.066 -62.492 72.251 1.00 60.82 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1842 HETATM 1841 O HOH B 94 29.336 -63.774 65.343 1.00 53.37 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1843 HETATM 1842 O HOH B 96 52.560 -36.230 87.407 1.00 27.02 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1844 HETATM 1843 O HOH B 97 37.347 -39.034 84.538 1.00 47.64 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1845 HETATM 1844 O HOH B 98 51.052 -46.390 95.681 1.00 34.30 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1846 HETATM 1845 O HOH B 99 51.444 -56.685 95.087 1.00 48.13 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1847 HETATM 1846 O HOH B 101 53.522 -54.748 94.643 1.00 40.18 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1848 HETATM 1847 O HOH B 102 37.357 -35.847 84.702 1.00 45.46 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1849 HETATM 1848 O HOH B 103 49.818 -38.003 96.161 1.00 40.19 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1850 HETATM 1849 O HOH B 104 37.762 -46.775 97.616 1.00 42.46 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1851 HETATM 1850 O HOH B 105 44.589 -59.801 94.935 1.00 45.07 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1852 HETATM 1851 O HOH B 106 51.786 -44.256 97.590 1.00 56.92 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1853 HETATM 1852 O HOH B 108 58.103 -48.250 85.909 1.00 46.91 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1854 HETATM 1853 O HOH B 109 50.168 -65.613 89.558 1.00 54.05 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1855 HETATM 1854 O HOH B 110 53.011 -31.193 75.653 1.00 83.72 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1856 HETATM 1855 O HOH B 111 58.122 -50.649 69.979 1.00 54.92 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1857 HETATM 1856 O HOH B 113 55.809 -62.424 88.915 1.00 45.10 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1858 HETATM 1857 O HOH B 115 49.993 -45.975 101.667 1.00 48.49 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1859 HETATM 1858 O HOH B 116 59.906 -49.658 86.782 1.00 57.13 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1860 HETATM 1859 O HOH B 117 44.630 -41.067 100.320 1.00 45.26 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1861 HETATM 1860 O HOH B 118 38.290 -42.208 101.309 1.00 53.60 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1862 HETATM 1861 O HOH B 119 42.727 -64.102 94.004 1.00 60.03 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1863 HETATM 1862 O HOH B 121 44.678 -35.438 96.917 1.00 47.12 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1864 HETATM 1863 O HOH B 123 49.978 -63.544 94.280 1.00 72.07 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1865 HETATM 1864 O HOH B 124 31.943 -41.664 89.309 1.00 51.98 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1866 HETATM 1865 O HOH B 125 22.705 -49.692 77.515 1.00 53.68 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1867 HETATM 1866 O HOH B 126 52.912 -65.735 88.657 1.00 55.29 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1868 HETATM 1867 O HOH B 127 53.536 -50.128 95.575 1.00 45.46 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1869 HETATM 1868 O HOH B 128 40.021 -59.452 74.410 1.00 58.92 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1870 HETATM 1869 O HOH B 129 37.986 -52.997 62.046 1.00 59.57 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1871 HETATM 1870 O HOH B 131 48.522 -45.674 64.695 1.00 53.38 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1872 HETATM 1871 O HOH B 132 46.835 -60.203 74.718 1.00 52.23 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1873 HETATM 1872 O HOH B 133 32.312 -45.096 79.759 1.00 58.92 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1874 HETATM 1873 O HOH B 134 50.027 -32.383 87.452 1.00 48.92 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1875 HETATM 1874 O HOH B 137 60.217 -54.166 96.294 1.00 57.25 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1876 HETATM 1875 O HOH B 138 22.937 -54.677 70.220 1.00 53.91 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1877 HETATM 1876 O HOH B 139 36.469 -38.584 101.082 1.00 60.42 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1878 HETATM 1877 O HOH B 140 32.612 -51.234 64.717 1.00 53.95 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1879 HETATM 1878 O HOH B 141 31.641 -47.717 67.925 1.00 59.37 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1880 HETATM 1879 O HOH B 145 59.987 -51.995 79.283 1.00 64.42 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1881 HETATM 1880 O HOH B 146 43.124 -67.575 88.921 1.00 60.92 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1882 HETATM 1881 O HOH B 148 51.970 -46.102 99.639 1.00 53.99 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1883 HETATM 1882 O HOH B 152 36.679 -51.241 100.506 1.00 57.57 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1884 HETATM 1883 O HOH B 153 52.191 -61.314 94.961 1.00 58.41 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1885 HETATM 1884 O HOH B 154 43.934 -26.726 90.863 1.00 59.30 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1886 HETATM 1885 O HOH B 155 53.659 -36.279 85.569 1.00 52.56 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1887 HETATM 1886 O HOH B 158 42.200 -33.494 96.714 1.00 56.16 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1888 HETATM 1887 O HOH B 159 55.504 -39.201 82.113 1.00 59.28 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1889 HETATM 1888 O HOH B 160 30.376 -55.240 82.444 1.00 63.54 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1890 HETATM 1889 O HOH B 161 51.795 -59.031 96.828 1.00 67.98 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1891 HETATM 1890 O HOH B 162 22.526 -46.703 74.926 1.00 57.40 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1892 HETATM 1891 O HOH B 164 50.733 -57.148 73.024 1.00 56.47 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1893 HETATM 1892 O HOH B 165 48.104 -47.994 59.942 1.00 45.95 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1894 HETATM 1893 O HOH B 166 54.973 -56.153 97.297 1.00 64.13 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1895 HETATM 1894 O HOH B 167 39.253 -43.161 103.576 1.00 54.76 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1896 HETATM 1895 O HOH B 170 51.981 -48.990 95.987 1.00 43.41 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1897 HETATM 1896 O HOH B 171 51.448 -48.354 56.783 1.00 56.00 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1898 HETATM 1897 O HOH B 172 60.277 -51.573 96.315 1.00 57.45 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1899 HETATM 1898 O HOH B 174 51.577 -54.024 69.020 1.00 60.28 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1900 HETATM 1899 O HOH B 175 35.389 -59.160 66.962 1.00 73.86 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1901 HETATM 1900 O HOH B 176 54.325 -40.404 94.788 1.00 71.31 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1902 HETATM 1901 O HOH B 178 30.495 -40.155 85.802 1.00 63.37 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1903 HETATM 1902 O HOH B 179 50.958 -37.034 91.471 1.00 53.17 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1904 HETATM 1903 O HOH B 180 53.453 -52.474 96.288 1.00 57.62 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1905 HETATM 1904 O HOH B 182 54.933 -49.346 66.605 1.00 65.59 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1906 HETATM 1905 O HOH B 184 52.755 -38.706 96.230 1.00 60.20 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1907 HETATM 1906 O HOH B 188 48.197 -39.939 97.526 1.00 38.94 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1908 HETATM 1907 O HOH B 190 47.525 -59.982 77.805 1.00 58.12 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1909 HETATM 1908 O HOH B 191 51.832 -50.237 67.773 1.00 58.72 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1910 HETATM 1909 O HOH B 192 49.087 -42.082 98.262 1.00 50.34 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1911 HETATM 1910 O HOH B 193 60.481 -55.025 91.931 1.00 49.74 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1912 HETATM 1911 O HOH B 194 26.866 -55.431 67.876 1.00 55.14 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1913 HETATM 1912 O HOH B 196 42.244 -39.591 71.487 1.00 60.09 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1914 HETATM 1913 O HOH B 199 61.339 -56.770 90.212 1.00 59.65 0.000 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1915 TER 1914 HOH B 199
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1916 HETATM 1914 C ACT D 1 39.632 -32.467 85.009 1.00 92.90 0.168 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1917 HETATM 1915 O ACT D 1 39.508 -32.058 86.187 1.00 93.19 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1918 HETATM 1916 CH3 ACT D 1 38.386 -32.806 84.223 1.00 84.58 0.129 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1919 HETATM 1917 OXT ACT D 1 40.773 -32.594 84.493 1.00 90.66 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1920 HETATM 1918 C ACT D 2 58.453 -56.204 76.997 1.00 88.70 0.168 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1921 HETATM 1919 O ACT D 2 57.709 -56.233 75.983 1.00 85.04 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1922 HETATM 1920 CH3 ACT D 2 58.693 -57.480 77.774 1.00 83.03 0.129 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1923 HETATM 1921 OXT ACT D 2 58.996 -55.131 77.372 1.00 85.86 -0.648 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1924 TER 1922 ACT D 2
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1925 HETATM 1922 O DMS C 1 60.177 -42.366 76.499 1.00 68.99 -0.259 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1926 HETATM 1923 C1 DMS C 1 60.547 -42.644 73.915 1.00 91.27 0.126 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1927 HETATM 1924 C2 DMS C 1 58.286 -41.770 74.686 1.00 93.07 0.126 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1928 HETATM 1925 S DMS C 1 59.919 -41.707 75.193 1.00 96.08 0.006 S
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1929 HETATM 1926 O DMS C 2 62.131 -50.369 84.252 1.00100.77 -0.259 OA
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1930 HETATM 1927 C1 DMS C 2 63.293 -52.714 84.253 1.00108.09 0.126 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1931 HETATM 1928 C2 DMS C 2 60.654 -52.426 84.716 1.00115.63 0.126 C
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1932 HETATM 1929 S DMS C 2 61.947 -51.761 83.804 1.00116.45 0.006 S
7b2f205b3f68 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit ef86cfa5f7ab5043de420511211579d03df58645"
bgruening
parents:
diff changeset
1933 TER 1930 DMS C 2